USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 378 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 5 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.9!) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.956 USER MOD Single : A 9 MET CE :methyl -160:sc= -0.441 (180deg=-1.66!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00288 USER MOD Single : A 24 MET CE :methyl -172:sc= 0 (180deg=-0.144) USER MOD Single : A 25 ASN : amide:sc= -9.92! C(o=-9.9!,f=-24!) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0255 (180deg=-0.245) USER MOD Single : A 35 ASN : amide:sc= -0.0289 K(o=-0.029,f=-0.55) USER MOD Single : A 38 SER OG : rot 70:sc= -0.513 USER MOD Single : A 49 SER OG : rot 115:sc= 1.1 USER MOD Single : A 50 CYS SG : rot 130:sc= -4.44! USER MOD Single : A 58 SER OG : rot -49:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -5.392 4.606 4.685 1.00 0.00 N ATOM 16 CA ILE A 2 -4.944 3.469 3.900 1.00 0.00 C ATOM 17 C ILE A 2 -4.117 2.536 4.787 1.00 0.00 C ATOM 18 O ILE A 2 -3.255 2.991 5.538 1.00 0.00 O ATOM 19 CB ILE A 2 -4.206 3.940 2.646 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.765 4.336 2.974 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.967 5.071 1.953 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.719 5.671 3.719 1.00 0.00 C ATOM 0 HA ILE A 2 -5.798 2.894 3.541 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.160 3.107 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.300 3.560 3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.186 4.409 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.420 5.387 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.957 4.719 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.067 5.914 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.683 5.929 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.162 6.450 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.279 5.587 4.651 1.00 0.00 H new ATOM 34 N GLU A 3 -4.407 1.249 4.671 1.00 0.00 N ATOM 35 CA GLU A 3 -3.701 0.248 5.453 1.00 0.00 C ATOM 36 C GLU A 3 -3.188 -0.871 4.543 1.00 0.00 C ATOM 37 O GLU A 3 -3.764 -1.131 3.488 1.00 0.00 O ATOM 38 CB GLU A 3 -4.594 -0.312 6.562 1.00 0.00 C ATOM 39 CG GLU A 3 -3.912 -0.193 7.926 1.00 0.00 C ATOM 40 CD GLU A 3 -4.443 1.015 8.702 1.00 0.00 C ATOM 41 OE1 GLU A 3 -5.684 1.151 8.757 1.00 0.00 O ATOM 42 OE2 GLU A 3 -3.596 1.773 9.219 1.00 0.00 O ATOM 0 H GLU A 3 -5.122 0.876 4.047 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.844 0.724 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.542 0.226 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.824 -1.357 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.082 -1.103 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.835 -0.098 7.791 1.00 0.00 H new ATOM 49 N VAL A 4 -2.111 -1.503 4.987 1.00 0.00 N ATOM 50 CA VAL A 4 -1.515 -2.588 4.227 1.00 0.00 C ATOM 51 C VAL A 4 -1.776 -3.912 4.947 1.00 0.00 C ATOM 52 O VAL A 4 -1.398 -4.975 4.455 1.00 0.00 O ATOM 53 CB VAL A 4 -0.027 -2.313 4.003 1.00 0.00 C ATOM 54 CG1 VAL A 4 0.737 -2.309 5.328 1.00 0.00 C ATOM 55 CG2 VAL A 4 0.577 -3.325 3.025 1.00 0.00 C ATOM 0 H VAL A 4 -1.636 -1.284 5.863 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.971 -2.659 3.240 1.00 0.00 H new ATOM 0 HB VAL A 4 0.066 -1.321 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.792 -2.111 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.333 -1.533 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.631 -3.280 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.636 -3.107 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.465 -4.332 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.061 -3.258 2.067 1.00 0.00 H new ATOM 65 N ASN A 5 -2.421 -3.806 6.098 1.00 0.00 N ATOM 66 CA ASN A 5 -2.738 -4.983 6.891 1.00 0.00 C ATOM 67 C ASN A 5 -1.439 -5.670 7.316 1.00 0.00 C ATOM 68 O ASN A 5 -0.354 -5.116 7.146 1.00 0.00 O ATOM 69 CB ASN A 5 -3.561 -5.987 6.081 1.00 0.00 C ATOM 70 CG ASN A 5 -5.021 -5.542 5.978 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.330 -4.389 5.729 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.900 -6.520 6.185 1.00 0.00 N ATOM 0 H ASN A 5 -2.734 -2.923 6.502 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.314 -4.661 7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.137 -6.089 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.509 -6.969 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.900 -6.325 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.573 -7.464 6.389 1.00 0.00 H new ATOM 79 N ASP A 6 -1.592 -6.868 7.861 1.00 0.00 N ATOM 80 CA ASP A 6 -0.444 -7.638 8.312 1.00 0.00 C ATOM 81 C ASP A 6 -0.379 -8.952 7.533 1.00 0.00 C ATOM 82 O ASP A 6 0.695 -9.373 7.106 1.00 0.00 O ATOM 83 CB ASP A 6 -0.558 -7.975 9.800 1.00 0.00 C ATOM 84 CG ASP A 6 0.708 -8.561 10.428 1.00 0.00 C ATOM 85 OD1 ASP A 6 0.997 -9.740 10.128 1.00 0.00 O ATOM 86 OD2 ASP A 6 1.357 -7.817 11.196 1.00 0.00 O ATOM 0 H ASP A 6 -2.493 -7.325 8.001 1.00 0.00 H new ATOM 0 HA ASP A 6 0.451 -7.039 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.829 -7.069 10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.375 -8.684 9.935 1.00 0.00 H new ATOM 91 N ASP A 7 -1.542 -9.565 7.369 1.00 0.00 N ATOM 92 CA ASP A 7 -1.630 -10.824 6.649 1.00 0.00 C ATOM 93 C ASP A 7 -0.855 -10.709 5.335 1.00 0.00 C ATOM 94 O ASP A 7 -0.341 -11.704 4.825 1.00 0.00 O ATOM 95 CB ASP A 7 -3.084 -11.164 6.312 1.00 0.00 C ATOM 96 CG ASP A 7 -3.803 -12.029 7.350 1.00 0.00 C ATOM 97 OD1 ASP A 7 -3.858 -11.585 8.517 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.279 -13.113 6.951 1.00 0.00 O ATOM 0 H ASP A 7 -2.432 -9.213 7.723 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.214 -11.606 7.284 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.639 -10.234 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.108 -11.680 5.352 1.00 0.00 H new ATOM 103 N CYS A 8 -0.794 -9.489 4.825 1.00 0.00 N ATOM 104 CA CYS A 8 -0.090 -9.232 3.579 1.00 0.00 C ATOM 105 C CYS A 8 1.329 -9.790 3.707 1.00 0.00 C ATOM 106 O CYS A 8 1.811 -10.022 4.815 1.00 0.00 O ATOM 107 CB CYS A 8 -0.088 -7.743 3.228 1.00 0.00 C ATOM 108 SG CYS A 8 1.426 -7.157 2.379 1.00 0.00 S ATOM 0 H CYS A 8 -1.220 -8.666 5.251 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.604 -9.731 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.949 -7.532 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.220 -7.168 4.144 1.00 0.00 H new ATOM 0 HG CYS A 8 1.318 -5.886 2.128 1.00 0.00 H new ATOM 113 N MET A 9 1.957 -9.990 2.558 1.00 0.00 N ATOM 114 CA MET A 9 3.310 -10.516 2.526 1.00 0.00 C ATOM 115 C MET A 9 4.330 -9.397 2.306 1.00 0.00 C ATOM 116 O MET A 9 4.890 -8.866 3.264 1.00 0.00 O ATOM 117 CB MET A 9 3.432 -11.546 1.402 1.00 0.00 C ATOM 118 CG MET A 9 4.885 -11.989 1.217 1.00 0.00 C ATOM 119 SD MET A 9 5.036 -12.994 -0.250 1.00 0.00 S ATOM 120 CE MET A 9 3.578 -14.009 -0.082 1.00 0.00 C ATOM 0 H MET A 9 1.553 -9.797 1.642 1.00 0.00 H new ATOM 0 HA MET A 9 3.518 -10.987 3.487 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.810 -12.412 1.629 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.057 -11.120 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.533 -11.116 1.138 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.216 -12.553 2.089 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.689 -14.908 -0.688 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.449 -14.290 0.963 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.705 -13.450 -0.418 1.00 0.00 H new ATOM 130 N ALA A 10 4.539 -9.071 1.039 1.00 0.00 N ATOM 131 CA ALA A 10 5.481 -8.025 0.681 1.00 0.00 C ATOM 132 C ALA A 10 5.833 -8.148 -0.804 1.00 0.00 C ATOM 133 O ALA A 10 7.009 -8.186 -1.165 1.00 0.00 O ATOM 134 CB ALA A 10 6.714 -8.117 1.582 1.00 0.00 C ATOM 0 H ALA A 10 4.072 -9.513 0.247 1.00 0.00 H new ATOM 0 HA ALA A 10 5.038 -7.041 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.421 -7.332 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.414 -7.994 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.187 -9.091 1.453 1.00 0.00 H new ATOM 140 N CYS A 11 4.794 -8.206 -1.622 1.00 0.00 N ATOM 141 CA CYS A 11 4.979 -8.324 -3.059 1.00 0.00 C ATOM 142 C CYS A 11 5.490 -6.982 -3.589 1.00 0.00 C ATOM 143 O CYS A 11 6.217 -6.938 -4.580 1.00 0.00 O ATOM 144 CB CYS A 11 3.692 -8.762 -3.761 1.00 0.00 C ATOM 145 SG CYS A 11 3.719 -10.471 -4.414 1.00 0.00 S ATOM 0 H CYS A 11 3.821 -8.174 -1.318 1.00 0.00 H new ATOM 0 HA CYS A 11 5.713 -9.101 -3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.862 -8.669 -3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.492 -8.076 -4.584 1.00 0.00 H new ATOM 0 HG CYS A 11 2.581 -10.736 -4.984 1.00 0.00 H new ATOM 150 N GLU A 12 5.089 -5.920 -2.905 1.00 0.00 N ATOM 151 CA GLU A 12 5.497 -4.581 -3.295 1.00 0.00 C ATOM 152 C GLU A 12 4.810 -4.176 -4.600 1.00 0.00 C ATOM 153 O GLU A 12 5.317 -3.330 -5.336 1.00 0.00 O ATOM 154 CB GLU A 12 7.019 -4.487 -3.424 1.00 0.00 C ATOM 155 CG GLU A 12 7.620 -3.702 -2.257 1.00 0.00 C ATOM 156 CD GLU A 12 9.149 -3.705 -2.324 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.688 -2.831 -3.037 1.00 0.00 O ATOM 158 OE2 GLU A 12 9.744 -4.581 -1.661 1.00 0.00 O ATOM 0 H GLU A 12 4.486 -5.960 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 12 5.188 -3.886 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.448 -5.489 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.279 -4.002 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.254 -2.676 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.293 -4.139 -1.313 1.00 0.00 H new ATOM 165 N ALA A 13 3.666 -4.798 -4.847 1.00 0.00 N ATOM 166 CA ALA A 13 2.905 -4.512 -6.052 1.00 0.00 C ATOM 167 C ALA A 13 2.316 -3.103 -5.956 1.00 0.00 C ATOM 168 O ALA A 13 2.470 -2.299 -6.874 1.00 0.00 O ATOM 169 CB ALA A 13 1.826 -5.582 -6.240 1.00 0.00 C ATOM 0 H ALA A 13 3.248 -5.498 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 13 3.551 -4.541 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.255 -5.368 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.296 -6.561 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.157 -5.580 -5.379 1.00 0.00 H new ATOM 175 N CYS A 14 1.655 -2.848 -4.837 1.00 0.00 N ATOM 176 CA CYS A 14 1.044 -1.549 -4.609 1.00 0.00 C ATOM 177 C CYS A 14 2.152 -0.497 -4.563 1.00 0.00 C ATOM 178 O CYS A 14 1.935 0.657 -4.932 1.00 0.00 O ATOM 179 CB CYS A 14 0.194 -1.539 -3.337 1.00 0.00 C ATOM 180 SG CYS A 14 1.096 -1.996 -1.809 1.00 0.00 S ATOM 0 H CYS A 14 1.529 -3.518 -4.078 1.00 0.00 H new ATOM 0 HA CYS A 14 0.360 -1.318 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.230 -0.543 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.641 -2.227 -3.469 1.00 0.00 H new ATOM 0 HG CYS A 14 0.283 -1.952 -0.796 1.00 0.00 H new ATOM 185 N VAL A 15 3.318 -0.932 -4.107 1.00 0.00 N ATOM 186 CA VAL A 15 4.462 -0.041 -4.008 1.00 0.00 C ATOM 187 C VAL A 15 5.027 0.215 -5.406 1.00 0.00 C ATOM 188 O VAL A 15 5.581 1.280 -5.670 1.00 0.00 O ATOM 189 CB VAL A 15 5.498 -0.624 -3.043 1.00 0.00 C ATOM 190 CG1 VAL A 15 6.761 0.238 -3.008 1.00 0.00 C ATOM 191 CG2 VAL A 15 4.908 -0.791 -1.642 1.00 0.00 C ATOM 0 H VAL A 15 3.495 -1.889 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 15 4.160 0.923 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 15 5.778 -1.612 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.480 -0.198 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.199 0.283 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.505 1.245 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.664 -1.207 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.586 0.180 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.053 -1.465 -1.685 1.00 0.00 H new ATOM 201 N GLU A 16 4.866 -0.780 -6.266 1.00 0.00 N ATOM 202 CA GLU A 16 5.352 -0.676 -7.632 1.00 0.00 C ATOM 203 C GLU A 16 4.392 0.167 -8.474 1.00 0.00 C ATOM 204 O GLU A 16 4.760 0.648 -9.545 1.00 0.00 O ATOM 205 CB GLU A 16 5.553 -2.061 -8.250 1.00 0.00 C ATOM 206 CG GLU A 16 7.029 -2.464 -8.223 1.00 0.00 C ATOM 207 CD GLU A 16 7.294 -3.633 -9.174 1.00 0.00 C ATOM 208 OE1 GLU A 16 6.565 -3.720 -10.185 1.00 0.00 O ATOM 209 OE2 GLU A 16 8.222 -4.414 -8.870 1.00 0.00 O ATOM 0 H GLU A 16 4.406 -1.663 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 16 6.322 -0.179 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.962 -2.796 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.191 -2.060 -9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.648 -1.612 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.315 -2.743 -7.209 1.00 0.00 H new ATOM 216 N ILE A 17 3.181 0.318 -7.959 1.00 0.00 N ATOM 217 CA ILE A 17 2.166 1.094 -8.651 1.00 0.00 C ATOM 218 C ILE A 17 2.163 2.523 -8.106 1.00 0.00 C ATOM 219 O ILE A 17 2.076 3.483 -8.871 1.00 0.00 O ATOM 220 CB ILE A 17 0.806 0.398 -8.560 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.050 0.495 -9.887 1.00 0.00 C ATOM 222 CG2 ILE A 17 -0.015 0.948 -7.391 1.00 0.00 C ATOM 223 CD1 ILE A 17 -0.162 1.956 -10.291 1.00 0.00 C ATOM 0 H ILE A 17 2.880 -0.084 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 17 2.395 1.159 -9.715 1.00 0.00 H new ATOM 0 HB ILE A 17 0.977 -0.660 -8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.608 -0.024 -10.666 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.914 -0.005 -9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.977 0.436 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.524 0.783 -6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.178 2.016 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.701 1.997 -11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.741 2.466 -9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.805 2.447 -10.403 1.00 0.00 H new ATOM 235 N CYS A 18 2.259 2.620 -6.788 1.00 0.00 N ATOM 236 CA CYS A 18 2.268 3.917 -6.132 1.00 0.00 C ATOM 237 C CYS A 18 3.303 3.877 -5.005 1.00 0.00 C ATOM 238 O CYS A 18 2.946 3.747 -3.835 1.00 0.00 O ATOM 239 CB CYS A 18 0.880 4.301 -5.619 1.00 0.00 C ATOM 240 SG CYS A 18 0.549 6.101 -5.573 1.00 0.00 S ATOM 0 H CYS A 18 2.331 1.822 -6.157 1.00 0.00 H new ATOM 0 HA CYS A 18 2.543 4.689 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.130 3.824 -6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.755 3.897 -4.614 1.00 0.00 H new ATOM 245 N PRO A 19 4.596 3.994 -5.409 1.00 0.00 N ATOM 246 CA PRO A 19 5.685 3.973 -4.446 1.00 0.00 C ATOM 247 C PRO A 19 5.766 5.296 -3.681 1.00 0.00 C ATOM 248 O PRO A 19 6.668 5.493 -2.868 1.00 0.00 O ATOM 249 CB PRO A 19 6.931 3.684 -5.267 1.00 0.00 C ATOM 250 CG PRO A 19 6.567 4.014 -6.706 1.00 0.00 C ATOM 251 CD PRO A 19 5.056 4.150 -6.785 1.00 0.00 C ATOM 0 HA PRO A 19 5.549 3.216 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.771 4.290 -4.928 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.230 2.640 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.050 4.939 -7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.915 3.229 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.767 5.119 -7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.624 3.390 -7.435 1.00 0.00 H new ATOM 259 N ASP A 20 4.813 6.170 -3.969 1.00 0.00 N ATOM 260 CA ASP A 20 4.765 7.468 -3.319 1.00 0.00 C ATOM 261 C ASP A 20 3.737 7.430 -2.187 1.00 0.00 C ATOM 262 O ASP A 20 3.697 8.329 -1.350 1.00 0.00 O ATOM 263 CB ASP A 20 4.345 8.562 -4.303 1.00 0.00 C ATOM 264 CG ASP A 20 5.191 9.835 -4.255 1.00 0.00 C ATOM 265 OD1 ASP A 20 6.123 9.867 -3.423 1.00 0.00 O ATOM 266 OD2 ASP A 20 4.887 10.749 -5.053 1.00 0.00 O ATOM 0 H ASP A 20 4.067 6.004 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 20 5.761 7.690 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.385 8.155 -5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.306 8.827 -4.107 1.00 0.00 H new ATOM 271 N VAL A 21 2.930 6.380 -2.200 1.00 0.00 N ATOM 272 CA VAL A 21 1.904 6.212 -1.185 1.00 0.00 C ATOM 273 C VAL A 21 2.246 5.001 -0.314 1.00 0.00 C ATOM 274 O VAL A 21 1.861 4.942 0.853 1.00 0.00 O ATOM 275 CB VAL A 21 0.527 6.104 -1.844 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.562 5.848 -0.800 1.00 0.00 C ATOM 277 CG2 VAL A 21 0.215 7.354 -2.668 1.00 0.00 C ATOM 0 H VAL A 21 2.966 5.637 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 21 1.869 7.083 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 21 0.546 5.252 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.531 5.775 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.352 4.916 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.581 6.670 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.769 7.252 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.224 8.229 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.967 7.473 -3.448 1.00 0.00 H new ATOM 287 N PHE A 22 2.968 4.065 -0.914 1.00 0.00 N ATOM 288 CA PHE A 22 3.366 2.860 -0.208 1.00 0.00 C ATOM 289 C PHE A 22 4.829 2.515 -0.495 1.00 0.00 C ATOM 290 O PHE A 22 5.196 2.252 -1.639 1.00 0.00 O ATOM 291 CB PHE A 22 2.476 1.726 -0.722 1.00 0.00 C ATOM 292 CG PHE A 22 0.989 2.077 -0.776 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.274 2.186 0.376 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.381 2.281 -1.975 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.106 2.512 0.326 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.000 2.608 -2.025 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.715 2.716 -0.873 1.00 0.00 C ATOM 0 H PHE A 22 3.287 4.118 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 22 3.259 3.005 0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.808 1.442 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.610 0.854 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.757 2.024 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.949 2.194 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.673 2.598 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.482 2.771 -2.977 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.766 2.964 -0.910 1.00 0.00 H new ATOM 307 N GLU A 23 5.625 2.528 0.564 1.00 0.00 N ATOM 308 CA GLU A 23 7.040 2.220 0.439 1.00 0.00 C ATOM 309 C GLU A 23 7.416 1.069 1.376 1.00 0.00 C ATOM 310 O GLU A 23 6.724 0.813 2.359 1.00 0.00 O ATOM 311 CB GLU A 23 7.897 3.456 0.719 1.00 0.00 C ATOM 312 CG GLU A 23 9.214 3.070 1.392 1.00 0.00 C ATOM 313 CD GLU A 23 10.088 4.303 1.635 1.00 0.00 C ATOM 314 OE1 GLU A 23 9.582 5.237 2.292 1.00 0.00 O ATOM 315 OE2 GLU A 23 11.244 4.281 1.159 1.00 0.00 O ATOM 0 H GLU A 23 5.318 2.747 1.512 1.00 0.00 H new ATOM 0 HA GLU A 23 7.235 1.908 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.102 3.980 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.347 4.147 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.010 2.572 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.751 2.357 0.766 1.00 0.00 H new ATOM 322 N MET A 24 8.513 0.408 1.037 1.00 0.00 N ATOM 323 CA MET A 24 8.990 -0.709 1.835 1.00 0.00 C ATOM 324 C MET A 24 9.265 -0.275 3.276 1.00 0.00 C ATOM 325 O MET A 24 9.690 0.854 3.518 1.00 0.00 O ATOM 326 CB MET A 24 10.273 -1.268 1.215 1.00 0.00 C ATOM 327 CG MET A 24 10.204 -1.235 -0.313 1.00 0.00 C ATOM 328 SD MET A 24 11.260 0.058 -0.943 1.00 0.00 S ATOM 329 CE MET A 24 10.270 0.627 -2.315 1.00 0.00 C ATOM 0 H MET A 24 9.085 0.624 0.221 1.00 0.00 H new ATOM 0 HA MET A 24 8.218 -1.478 1.849 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.129 -0.686 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.428 -2.292 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.512 -2.198 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.177 -1.066 -0.635 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.844 1.340 -2.907 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.991 -0.222 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.369 1.111 -1.938 1.00 0.00 H new ATOM 339 N ASN A 25 9.012 -1.194 4.196 1.00 0.00 N ATOM 340 CA ASN A 25 9.228 -0.920 5.606 1.00 0.00 C ATOM 341 C ASN A 25 10.719 -1.048 5.925 1.00 0.00 C ATOM 342 O ASN A 25 11.564 -0.801 5.065 1.00 0.00 O ATOM 343 CB ASN A 25 8.470 -1.920 6.483 1.00 0.00 C ATOM 344 CG ASN A 25 9.148 -3.291 6.463 1.00 0.00 C ATOM 345 OD1 ASN A 25 9.300 -3.923 5.430 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.547 -3.715 7.658 1.00 0.00 N ATOM 0 H ASN A 25 8.659 -2.129 3.992 1.00 0.00 H new ATOM 0 HA ASN A 25 8.868 0.088 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.423 -1.549 7.507 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.443 -2.013 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.011 -4.619 7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.389 -3.137 8.483 1.00 0.00 H new ATOM 353 N GLU A 26 10.997 -1.433 7.161 1.00 0.00 N ATOM 354 CA GLU A 26 12.371 -1.596 7.603 1.00 0.00 C ATOM 355 C GLU A 26 13.115 -2.562 6.679 1.00 0.00 C ATOM 356 O GLU A 26 14.219 -2.265 6.223 1.00 0.00 O ATOM 357 CB GLU A 26 12.427 -2.075 9.055 1.00 0.00 C ATOM 358 CG GLU A 26 13.533 -1.354 9.829 1.00 0.00 C ATOM 359 CD GLU A 26 13.670 -1.920 11.244 1.00 0.00 C ATOM 360 OE1 GLU A 26 13.515 -3.152 11.380 1.00 0.00 O ATOM 361 OE2 GLU A 26 13.928 -1.105 12.157 1.00 0.00 O ATOM 0 H GLU A 26 10.294 -1.637 7.871 1.00 0.00 H new ATOM 0 HA GLU A 26 12.864 -0.625 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.466 -1.897 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.603 -3.150 9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.480 -1.457 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.311 -0.288 9.880 1.00 0.00 H new ATOM 368 N GLU A 27 12.481 -3.698 6.429 1.00 0.00 N ATOM 369 CA GLU A 27 13.069 -4.710 5.568 1.00 0.00 C ATOM 370 C GLU A 27 12.149 -4.993 4.378 1.00 0.00 C ATOM 371 O GLU A 27 12.246 -6.047 3.751 1.00 0.00 O ATOM 372 CB GLU A 27 13.366 -5.991 6.349 1.00 0.00 C ATOM 373 CG GLU A 27 14.097 -5.680 7.656 1.00 0.00 C ATOM 374 CD GLU A 27 14.694 -6.949 8.267 1.00 0.00 C ATOM 375 OE1 GLU A 27 15.801 -7.325 7.823 1.00 0.00 O ATOM 376 OE2 GLU A 27 14.031 -7.515 9.162 1.00 0.00 O ATOM 0 H GLU A 27 11.565 -3.940 6.808 1.00 0.00 H new ATOM 0 HA GLU A 27 14.017 -4.329 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.434 -6.514 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.973 -6.660 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.889 -4.955 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.405 -5.222 8.363 1.00 0.00 H new ATOM 383 N GLY A 28 11.278 -4.034 4.102 1.00 0.00 N ATOM 384 CA GLY A 28 10.342 -4.168 2.999 1.00 0.00 C ATOM 385 C GLY A 28 9.520 -5.452 3.130 1.00 0.00 C ATOM 386 O GLY A 28 8.956 -5.934 2.148 1.00 0.00 O ATOM 0 H GLY A 28 11.201 -3.161 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.675 -3.306 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.886 -4.175 2.055 1.00 0.00 H new ATOM 390 N ASP A 29 9.478 -5.968 4.349 1.00 0.00 N ATOM 391 CA ASP A 29 8.735 -7.187 4.620 1.00 0.00 C ATOM 392 C ASP A 29 7.240 -6.867 4.671 1.00 0.00 C ATOM 393 O ASP A 29 6.410 -7.772 4.748 1.00 0.00 O ATOM 394 CB ASP A 29 9.136 -7.788 5.969 1.00 0.00 C ATOM 395 CG ASP A 29 9.218 -9.315 5.998 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.800 -9.871 5.042 1.00 0.00 O ATOM 397 OD2 ASP A 29 8.696 -9.894 6.976 1.00 0.00 O ATOM 0 H ASP A 29 9.946 -5.564 5.160 1.00 0.00 H new ATOM 0 HA ASP A 29 8.957 -7.901 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.106 -7.382 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.418 -7.463 6.722 1.00 0.00 H new ATOM 402 N LYS A 30 6.941 -5.577 4.625 1.00 0.00 N ATOM 403 CA LYS A 30 5.561 -5.127 4.665 1.00 0.00 C ATOM 404 C LYS A 30 5.475 -3.709 4.095 1.00 0.00 C ATOM 405 O LYS A 30 6.108 -2.789 4.610 1.00 0.00 O ATOM 406 CB LYS A 30 4.996 -5.254 6.081 1.00 0.00 C ATOM 407 CG LYS A 30 4.026 -6.435 6.179 1.00 0.00 C ATOM 408 CD LYS A 30 3.582 -6.659 7.626 1.00 0.00 C ATOM 409 CE LYS A 30 3.579 -8.149 7.973 1.00 0.00 C ATOM 410 NZ LYS A 30 4.962 -8.674 8.020 1.00 0.00 N ATOM 0 H LYS A 30 7.632 -4.829 4.560 1.00 0.00 H new ATOM 0 HA LYS A 30 4.935 -5.763 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.812 -5.388 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.482 -4.333 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.154 -6.248 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.505 -7.337 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.250 -6.126 8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.584 -6.246 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.093 -8.303 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.000 -8.700 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.986 -9.539 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.283 -8.893 7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.590 -7.960 8.440 1.00 0.00 H new ATOM 423 N ALA A 31 4.686 -3.577 3.038 1.00 0.00 N ATOM 424 CA ALA A 31 4.508 -2.287 2.393 1.00 0.00 C ATOM 425 C ALA A 31 3.987 -1.277 3.417 1.00 0.00 C ATOM 426 O ALA A 31 2.839 -1.359 3.847 1.00 0.00 O ATOM 427 CB ALA A 31 3.569 -2.441 1.195 1.00 0.00 C ATOM 0 H ALA A 31 4.163 -4.342 2.612 1.00 0.00 H new ATOM 0 HA ALA A 31 5.459 -1.912 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.435 -1.474 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.999 -3.146 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.603 -2.813 1.536 1.00 0.00 H new ATOM 433 N VAL A 32 4.859 -0.346 3.778 1.00 0.00 N ATOM 434 CA VAL A 32 4.501 0.679 4.742 1.00 0.00 C ATOM 435 C VAL A 32 3.829 1.846 4.015 1.00 0.00 C ATOM 436 O VAL A 32 4.048 2.047 2.822 1.00 0.00 O ATOM 437 CB VAL A 32 5.739 1.104 5.537 1.00 0.00 C ATOM 438 CG1 VAL A 32 5.571 2.518 6.098 1.00 0.00 C ATOM 439 CG2 VAL A 32 6.042 0.104 6.654 1.00 0.00 C ATOM 0 H VAL A 32 5.812 -0.281 3.420 1.00 0.00 H new ATOM 0 HA VAL A 32 3.783 0.290 5.464 1.00 0.00 H new ATOM 0 HB VAL A 32 6.589 1.113 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.464 2.796 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.425 3.220 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.705 2.547 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.926 0.429 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.192 0.049 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.225 -0.880 6.222 1.00 0.00 H new ATOM 449 N VAL A 33 3.024 2.584 4.765 1.00 0.00 N ATOM 450 CA VAL A 33 2.318 3.725 4.207 1.00 0.00 C ATOM 451 C VAL A 33 3.146 4.991 4.433 1.00 0.00 C ATOM 452 O VAL A 33 3.710 5.186 5.509 1.00 0.00 O ATOM 453 CB VAL A 33 0.913 3.815 4.805 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.120 4.958 4.171 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.170 2.486 4.659 1.00 0.00 C ATOM 0 H VAL A 33 2.845 2.414 5.755 1.00 0.00 H new ATOM 0 HA VAL A 33 2.191 3.607 3.131 1.00 0.00 H new ATOM 0 HB VAL A 33 1.014 4.028 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.875 5.000 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.636 5.901 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.033 4.789 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.826 2.577 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.085 2.231 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.721 1.702 5.178 1.00 0.00 H new ATOM 465 N ILE A 34 3.194 5.821 3.401 1.00 0.00 N ATOM 466 CA ILE A 34 3.943 7.064 3.473 1.00 0.00 C ATOM 467 C ILE A 34 2.971 8.245 3.421 1.00 0.00 C ATOM 468 O ILE A 34 3.237 9.298 3.998 1.00 0.00 O ATOM 469 CB ILE A 34 5.019 7.105 2.388 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.971 5.846 1.520 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.405 7.329 2.996 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.966 5.939 0.361 1.00 0.00 C ATOM 0 H ILE A 34 2.726 5.657 2.510 1.00 0.00 H new ATOM 0 HA ILE A 34 4.477 7.132 4.421 1.00 0.00 H new ATOM 0 HB ILE A 34 4.813 7.954 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.198 4.971 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.963 5.709 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.151 7.354 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.417 8.276 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.636 6.517 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.911 5.031 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.721 6.801 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.976 6.052 0.756 1.00 0.00 H new ATOM 484 N ASN A 35 1.865 8.029 2.724 1.00 0.00 N ATOM 485 CA ASN A 35 0.852 9.062 2.590 1.00 0.00 C ATOM 486 C ASN A 35 -0.440 8.594 3.261 1.00 0.00 C ATOM 487 O ASN A 35 -1.350 8.107 2.592 1.00 0.00 O ATOM 488 CB ASN A 35 0.545 9.343 1.117 1.00 0.00 C ATOM 489 CG ASN A 35 0.154 10.808 0.909 1.00 0.00 C ATOM 490 OD1 ASN A 35 -0.512 11.422 1.726 1.00 0.00 O ATOM 491 ND2 ASN A 35 0.604 11.330 -0.228 1.00 0.00 N ATOM 0 H ASN A 35 1.648 7.154 2.246 1.00 0.00 H new ATOM 0 HA ASN A 35 1.231 9.970 3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.417 9.106 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.265 8.695 0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.397 12.301 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.157 10.759 -0.868 1.00 0.00 H new ATOM 498 N PRO A 36 -0.481 8.762 4.610 1.00 0.00 N ATOM 499 CA PRO A 36 -1.647 8.361 5.379 1.00 0.00 C ATOM 500 C PRO A 36 -2.797 9.352 5.186 1.00 0.00 C ATOM 501 O PRO A 36 -3.536 9.641 6.126 1.00 0.00 O ATOM 502 CB PRO A 36 -1.162 8.286 6.818 1.00 0.00 C ATOM 503 CG PRO A 36 0.126 9.092 6.867 1.00 0.00 C ATOM 504 CD PRO A 36 0.578 9.334 5.436 1.00 0.00 C ATOM 0 HA PRO A 36 -2.053 7.401 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.905 8.695 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.988 7.253 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.036 10.039 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.893 8.553 7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.705 10.398 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.537 8.855 5.238 1.00 0.00 H new ATOM 512 N ASP A 37 -2.913 9.844 3.962 1.00 0.00 N ATOM 513 CA ASP A 37 -3.961 10.796 3.634 1.00 0.00 C ATOM 514 C ASP A 37 -3.759 11.297 2.203 1.00 0.00 C ATOM 515 O ASP A 37 -3.873 12.492 1.937 1.00 0.00 O ATOM 516 CB ASP A 37 -3.918 12.006 4.569 1.00 0.00 C ATOM 517 CG ASP A 37 -5.008 13.051 4.324 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.182 12.721 4.598 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.642 14.157 3.869 1.00 0.00 O ATOM 0 H ASP A 37 -2.299 9.601 3.185 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.921 10.291 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.997 11.654 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.945 12.488 4.471 1.00 0.00 H new ATOM 524 N SER A 38 -3.462 10.357 1.317 1.00 0.00 N ATOM 525 CA SER A 38 -3.242 10.688 -0.081 1.00 0.00 C ATOM 526 C SER A 38 -4.485 11.370 -0.658 1.00 0.00 C ATOM 527 O SER A 38 -5.349 11.827 0.088 1.00 0.00 O ATOM 528 CB SER A 38 -2.896 9.440 -0.895 1.00 0.00 C ATOM 529 OG SER A 38 -2.013 9.735 -1.974 1.00 0.00 O ATOM 0 H SER A 38 -3.369 9.366 1.540 1.00 0.00 H new ATOM 0 HA SER A 38 -2.397 11.374 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.436 8.698 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.812 8.997 -1.286 1.00 0.00 H new ATOM 0 HG SER A 38 -1.127 9.960 -1.620 1.00 0.00 H new ATOM 535 N ASP A 39 -4.534 11.416 -1.982 1.00 0.00 N ATOM 536 CA ASP A 39 -5.657 12.034 -2.667 1.00 0.00 C ATOM 537 C ASP A 39 -5.549 11.754 -4.167 1.00 0.00 C ATOM 538 O ASP A 39 -5.949 12.578 -4.987 1.00 0.00 O ATOM 539 CB ASP A 39 -5.655 13.552 -2.469 1.00 0.00 C ATOM 540 CG ASP A 39 -7.012 14.231 -2.665 1.00 0.00 C ATOM 541 OD1 ASP A 39 -7.295 14.610 -3.822 1.00 0.00 O ATOM 542 OD2 ASP A 39 -7.734 14.357 -1.653 1.00 0.00 O ATOM 0 H ASP A 39 -3.815 11.036 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.575 11.617 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.298 13.772 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.941 13.993 -3.164 1.00 0.00 H new ATOM 547 N LEU A 40 -5.007 10.586 -4.480 1.00 0.00 N ATOM 548 CA LEU A 40 -4.843 10.185 -5.868 1.00 0.00 C ATOM 549 C LEU A 40 -5.709 8.955 -6.145 1.00 0.00 C ATOM 550 O LEU A 40 -6.522 8.563 -5.309 1.00 0.00 O ATOM 551 CB LEU A 40 -3.362 9.981 -6.194 1.00 0.00 C ATOM 552 CG LEU A 40 -2.522 9.309 -5.107 1.00 0.00 C ATOM 553 CD1 LEU A 40 -3.151 7.984 -4.669 1.00 0.00 C ATOM 554 CD2 LEU A 40 -1.073 9.131 -5.565 1.00 0.00 C ATOM 0 H LEU A 40 -4.676 9.905 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.188 10.974 -6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.290 9.383 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.922 10.953 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.506 9.963 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.534 7.527 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.150 8.168 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.217 7.312 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.498 8.651 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.048 8.509 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.640 10.106 -5.788 1.00 0.00 H new ATOM 566 N ASP A 41 -5.506 8.381 -7.322 1.00 0.00 N ATOM 567 CA ASP A 41 -6.259 7.203 -7.720 1.00 0.00 C ATOM 568 C ASP A 41 -5.362 5.969 -7.605 1.00 0.00 C ATOM 569 O ASP A 41 -5.841 4.839 -7.693 1.00 0.00 O ATOM 570 CB ASP A 41 -6.726 7.314 -9.172 1.00 0.00 C ATOM 571 CG ASP A 41 -7.749 6.261 -9.603 1.00 0.00 C ATOM 572 OD1 ASP A 41 -7.306 5.140 -9.931 1.00 0.00 O ATOM 573 OD2 ASP A 41 -8.953 6.601 -9.595 1.00 0.00 O ATOM 0 H ASP A 41 -4.831 8.709 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.128 7.120 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.158 8.303 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.856 7.242 -9.825 1.00 0.00 H new ATOM 578 N CYS A 42 -4.077 6.225 -7.411 1.00 0.00 N ATOM 579 CA CYS A 42 -3.110 5.148 -7.284 1.00 0.00 C ATOM 580 C CYS A 42 -3.615 4.172 -6.219 1.00 0.00 C ATOM 581 O CYS A 42 -3.321 2.979 -6.276 1.00 0.00 O ATOM 582 CB CYS A 42 -1.713 5.679 -6.954 1.00 0.00 C ATOM 583 SG CYS A 42 -1.279 5.645 -5.176 1.00 0.00 S ATOM 0 H CYS A 42 -3.683 7.163 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.014 4.627 -8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.977 5.092 -7.504 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.636 6.705 -7.313 1.00 0.00 H new ATOM 588 N VAL A 43 -4.368 4.714 -5.274 1.00 0.00 N ATOM 589 CA VAL A 43 -4.918 3.907 -4.198 1.00 0.00 C ATOM 590 C VAL A 43 -5.955 2.940 -4.772 1.00 0.00 C ATOM 591 O VAL A 43 -6.179 1.864 -4.218 1.00 0.00 O ATOM 592 CB VAL A 43 -5.485 4.811 -3.102 1.00 0.00 C ATOM 593 CG1 VAL A 43 -6.190 3.987 -2.022 1.00 0.00 C ATOM 594 CG2 VAL A 43 -4.389 5.687 -2.493 1.00 0.00 C ATOM 0 H VAL A 43 -4.611 5.704 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.136 3.307 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.225 5.468 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.584 4.654 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.009 3.425 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.479 3.295 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.819 6.320 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.616 5.053 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.950 6.313 -3.270 1.00 0.00 H new ATOM 604 N GLU A 44 -6.561 3.357 -5.874 1.00 0.00 N ATOM 605 CA GLU A 44 -7.569 2.541 -6.528 1.00 0.00 C ATOM 606 C GLU A 44 -6.907 1.412 -7.320 1.00 0.00 C ATOM 607 O GLU A 44 -7.366 0.271 -7.283 1.00 0.00 O ATOM 608 CB GLU A 44 -8.462 3.393 -7.432 1.00 0.00 C ATOM 609 CG GLU A 44 -9.771 2.669 -7.751 1.00 0.00 C ATOM 610 CD GLU A 44 -10.126 2.804 -9.234 1.00 0.00 C ATOM 611 OE1 GLU A 44 -10.409 3.949 -9.647 1.00 0.00 O ATOM 612 OE2 GLU A 44 -10.106 1.759 -9.919 1.00 0.00 O ATOM 0 H GLU A 44 -6.373 4.250 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.202 2.097 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.678 4.343 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.935 3.623 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.680 1.615 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.576 3.080 -7.142 1.00 0.00 H new ATOM 619 N GLU A 45 -5.837 1.768 -8.016 1.00 0.00 N ATOM 620 CA GLU A 45 -5.107 0.799 -8.815 1.00 0.00 C ATOM 621 C GLU A 45 -4.138 0.008 -7.934 1.00 0.00 C ATOM 622 O GLU A 45 -3.644 -1.044 -8.337 1.00 0.00 O ATOM 623 CB GLU A 45 -4.369 1.483 -9.967 1.00 0.00 C ATOM 624 CG GLU A 45 -3.339 2.485 -9.439 1.00 0.00 C ATOM 625 CD GLU A 45 -3.241 3.705 -10.359 1.00 0.00 C ATOM 626 OE1 GLU A 45 -4.233 4.463 -10.403 1.00 0.00 O ATOM 627 OE2 GLU A 45 -2.176 3.849 -10.997 1.00 0.00 O ATOM 0 H GLU A 45 -5.458 2.715 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.823 0.102 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.871 0.733 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.085 1.996 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.618 2.804 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.364 2.004 -9.362 1.00 0.00 H new ATOM 634 N ALA A 46 -3.895 0.544 -6.747 1.00 0.00 N ATOM 635 CA ALA A 46 -2.993 -0.099 -5.806 1.00 0.00 C ATOM 636 C ALA A 46 -3.774 -1.121 -4.976 1.00 0.00 C ATOM 637 O ALA A 46 -3.179 -1.965 -4.308 1.00 0.00 O ATOM 638 CB ALA A 46 -2.320 0.964 -4.936 1.00 0.00 C ATOM 0 H ALA A 46 -4.307 1.416 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.205 -0.635 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.644 0.482 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.756 1.649 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.080 1.520 -4.388 1.00 0.00 H new ATOM 644 N ILE A 47 -5.092 -1.012 -5.047 1.00 0.00 N ATOM 645 CA ILE A 47 -5.959 -1.916 -4.311 1.00 0.00 C ATOM 646 C ILE A 47 -6.524 -2.965 -5.270 1.00 0.00 C ATOM 647 O ILE A 47 -6.530 -4.156 -4.959 1.00 0.00 O ATOM 648 CB ILE A 47 -7.033 -1.131 -3.555 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.641 -0.938 -2.089 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.403 -1.798 -3.698 1.00 0.00 C ATOM 651 CD1 ILE A 47 -6.007 0.437 -1.868 1.00 0.00 C ATOM 0 H ILE A 47 -5.581 -0.311 -5.603 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.393 -2.452 -3.549 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.109 -0.140 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.522 -1.042 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.940 -1.718 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.148 -1.220 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.679 -1.841 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.360 -2.809 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.737 0.549 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.112 0.528 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.719 1.215 -2.145 1.00 0.00 H new ATOM 663 N ASP A 48 -6.987 -2.487 -6.415 1.00 0.00 N ATOM 664 CA ASP A 48 -7.552 -3.370 -7.421 1.00 0.00 C ATOM 665 C ASP A 48 -6.457 -4.291 -7.960 1.00 0.00 C ATOM 666 O ASP A 48 -6.735 -5.416 -8.373 1.00 0.00 O ATOM 667 CB ASP A 48 -8.120 -2.572 -8.598 1.00 0.00 C ATOM 668 CG ASP A 48 -9.532 -2.973 -9.029 1.00 0.00 C ATOM 669 OD1 ASP A 48 -9.643 -4.019 -9.706 1.00 0.00 O ATOM 670 OD2 ASP A 48 -10.469 -2.226 -8.673 1.00 0.00 O ATOM 0 H ASP A 48 -6.983 -1.499 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.352 -3.944 -6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.124 -1.515 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.450 -2.684 -9.451 1.00 0.00 H new ATOM 675 N SER A 49 -5.235 -3.780 -7.939 1.00 0.00 N ATOM 676 CA SER A 49 -4.096 -4.543 -8.420 1.00 0.00 C ATOM 677 C SER A 49 -3.611 -5.502 -7.332 1.00 0.00 C ATOM 678 O SER A 49 -2.764 -6.358 -7.584 1.00 0.00 O ATOM 679 CB SER A 49 -2.959 -3.618 -8.859 1.00 0.00 C ATOM 680 OG SER A 49 -3.337 -2.790 -9.955 1.00 0.00 O ATOM 0 H SER A 49 -5.009 -2.846 -7.596 1.00 0.00 H new ATOM 0 HA SER A 49 -4.413 -5.121 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.656 -2.992 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.092 -4.217 -9.139 1.00 0.00 H new ATOM 0 HG SER A 49 -3.342 -1.852 -9.670 1.00 0.00 H new ATOM 686 N CYS A 50 -4.167 -5.325 -6.141 1.00 0.00 N ATOM 687 CA CYS A 50 -3.800 -6.164 -5.013 1.00 0.00 C ATOM 688 C CYS A 50 -4.706 -7.397 -5.018 1.00 0.00 C ATOM 689 O CYS A 50 -5.912 -7.288 -4.799 1.00 0.00 O ATOM 690 CB CYS A 50 -3.884 -5.400 -3.690 1.00 0.00 C ATOM 691 SG CYS A 50 -3.646 -6.429 -2.193 1.00 0.00 S ATOM 0 H CYS A 50 -4.868 -4.614 -5.934 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.761 -6.477 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.133 -4.610 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.858 -4.914 -3.629 1.00 0.00 H new ATOM 0 HG CYS A 50 -2.759 -5.874 -1.421 1.00 0.00 H new ATOM 696 N PRO A 51 -4.073 -8.574 -5.276 1.00 0.00 N ATOM 697 CA PRO A 51 -4.809 -9.827 -5.312 1.00 0.00 C ATOM 698 C PRO A 51 -5.170 -10.292 -3.900 1.00 0.00 C ATOM 699 O PRO A 51 -6.206 -10.922 -3.696 1.00 0.00 O ATOM 700 CB PRO A 51 -3.895 -10.799 -6.042 1.00 0.00 C ATOM 701 CG PRO A 51 -2.504 -10.190 -5.977 1.00 0.00 C ATOM 702 CD PRO A 51 -2.648 -8.741 -5.540 1.00 0.00 C ATOM 0 HA PRO A 51 -5.766 -9.738 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.914 -11.782 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.214 -10.935 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.879 -10.740 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.016 -10.248 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.054 -8.535 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.306 -8.057 -6.317 1.00 0.00 H new ATOM 710 N ALA A 52 -4.295 -9.962 -2.961 1.00 0.00 N ATOM 711 CA ALA A 52 -4.509 -10.338 -1.574 1.00 0.00 C ATOM 712 C ALA A 52 -5.470 -9.342 -0.923 1.00 0.00 C ATOM 713 O ALA A 52 -5.887 -9.532 0.219 1.00 0.00 O ATOM 714 CB ALA A 52 -3.162 -10.407 -0.851 1.00 0.00 C ATOM 0 H ALA A 52 -3.437 -9.439 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.965 -11.326 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.322 -10.689 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.527 -11.149 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.677 -9.432 -0.892 1.00 0.00 H new ATOM 720 N GLU A 53 -5.793 -8.301 -1.676 1.00 0.00 N ATOM 721 CA GLU A 53 -6.698 -7.275 -1.186 1.00 0.00 C ATOM 722 C GLU A 53 -6.428 -6.992 0.293 1.00 0.00 C ATOM 723 O GLU A 53 -7.351 -6.699 1.051 1.00 0.00 O ATOM 724 CB GLU A 53 -8.157 -7.677 -1.410 1.00 0.00 C ATOM 725 CG GLU A 53 -9.073 -6.451 -1.389 1.00 0.00 C ATOM 726 CD GLU A 53 -9.104 -5.765 -2.755 1.00 0.00 C ATOM 727 OE1 GLU A 53 -8.103 -5.087 -3.073 1.00 0.00 O ATOM 728 OE2 GLU A 53 -10.128 -5.934 -3.451 1.00 0.00 O ATOM 0 H GLU A 53 -5.444 -8.146 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.518 -6.360 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.254 -8.191 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.467 -8.380 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.082 -6.752 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.726 -5.747 -0.633 1.00 0.00 H new ATOM 735 N ALA A 54 -5.158 -7.089 0.659 1.00 0.00 N ATOM 736 CA ALA A 54 -4.756 -6.846 2.034 1.00 0.00 C ATOM 737 C ALA A 54 -4.727 -5.339 2.296 1.00 0.00 C ATOM 738 O ALA A 54 -4.749 -4.904 3.446 1.00 0.00 O ATOM 739 CB ALA A 54 -3.402 -7.510 2.294 1.00 0.00 C ATOM 0 H ALA A 54 -4.395 -7.332 0.028 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.474 -7.285 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.100 -7.328 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.485 -8.583 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.656 -7.092 1.618 1.00 0.00 H new ATOM 745 N ILE A 55 -4.676 -4.584 1.208 1.00 0.00 N ATOM 746 CA ILE A 55 -4.645 -3.135 1.305 1.00 0.00 C ATOM 747 C ILE A 55 -6.077 -2.597 1.328 1.00 0.00 C ATOM 748 O ILE A 55 -6.842 -2.815 0.390 1.00 0.00 O ATOM 749 CB ILE A 55 -3.785 -2.542 0.187 1.00 0.00 C ATOM 750 CG1 ILE A 55 -3.893 -1.016 0.161 1.00 0.00 C ATOM 751 CG2 ILE A 55 -4.137 -3.165 -1.165 1.00 0.00 C ATOM 752 CD1 ILE A 55 -2.743 -0.370 0.934 1.00 0.00 C ATOM 0 H ILE A 55 -4.655 -4.949 0.256 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.174 -2.827 2.238 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.743 -2.787 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.884 -0.665 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.845 -0.708 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.511 -2.726 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.965 -4.241 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.186 -2.973 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.845 0.715 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.769 -0.704 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.794 -0.660 0.484 1.00 0.00 H new ATOM 764 N VAL A 56 -6.397 -1.904 2.411 1.00 0.00 N ATOM 765 CA VAL A 56 -7.725 -1.334 2.570 1.00 0.00 C ATOM 766 C VAL A 56 -7.601 0.167 2.835 1.00 0.00 C ATOM 767 O VAL A 56 -6.497 0.708 2.866 1.00 0.00 O ATOM 768 CB VAL A 56 -8.484 -2.076 3.672 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.159 -3.333 3.121 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.559 -2.417 4.841 1.00 0.00 C ATOM 0 H VAL A 56 -5.760 -1.724 3.187 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.306 -1.456 1.656 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.265 -1.413 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.692 -3.842 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.864 -3.054 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.403 -4.000 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.124 -2.944 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.746 -3.052 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.147 -1.498 5.259 1.00 0.00 H new ATOM 780 N ARG A 57 -8.751 0.800 3.020 1.00 0.00 N ATOM 781 CA ARG A 57 -8.786 2.229 3.282 1.00 0.00 C ATOM 782 C ARG A 57 -9.481 2.508 4.616 1.00 0.00 C ATOM 783 O ARG A 57 -10.293 3.425 4.716 1.00 0.00 O ATOM 784 CB ARG A 57 -9.519 2.975 2.166 1.00 0.00 C ATOM 785 CG ARG A 57 -8.531 3.688 1.240 1.00 0.00 C ATOM 786 CD ARG A 57 -9.224 4.796 0.446 1.00 0.00 C ATOM 787 NE ARG A 57 -8.225 5.776 -0.033 1.00 0.00 N ATOM 788 CZ ARG A 57 -8.537 6.923 -0.674 1.00 0.00 C ATOM 789 NH1 ARG A 57 -9.826 7.244 -0.917 1.00 0.00 N ATOM 790 NH2 ARG A 57 -7.563 7.726 -1.059 1.00 0.00 N ATOM 0 H ARG A 57 -9.665 0.349 2.994 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.756 2.584 3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.121 2.273 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.205 3.702 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.717 4.112 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.086 2.968 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.760 4.367 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.964 5.295 1.072 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.239 5.573 0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.573 6.618 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.053 8.112 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.592 7.476 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.781 8.596 -1.544 1.00 0.00 H new ATOM 804 N SER A 58 -9.137 1.698 5.607 1.00 0.00 N ATOM 805 CA SER A 58 -9.718 1.845 6.930 1.00 0.00 C ATOM 806 C SER A 58 -9.841 3.329 7.285 1.00 0.00 C ATOM 807 O SER A 58 -9.717 3.706 8.449 1.00 0.00 O ATOM 808 CB SER A 58 -8.882 1.116 7.983 1.00 0.00 C ATOM 809 OG SER A 58 -9.536 1.073 9.248 1.00 0.00 O ATOM 810 OXT SER A 58 -10.064 4.149 6.410 1.00 1.00 O ATOM 0 H SER A 58 -8.463 0.938 5.520 1.00 0.00 H new ATOM 0 HA SER A 58 -10.711 1.396 6.919 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.679 0.100 7.645 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.919 1.615 8.090 1.00 0.00 H new ATOM 0 HG SER A 58 -9.846 1.972 9.487 1.00 0.00 H new