USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.511 (180deg=0.463) USER MOD Single : A 2 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.9) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00813 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -120:sc= -0.0689 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.328 USER MOD Single : A 35 HIS : no HD1:sc= -0.735 X(o=-0.74,f=-0.56) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0406) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.351 -1.646 -4.436 1.00 0.00 N ATOM 2 CA MET A 1 -7.753 -0.402 -3.878 1.00 0.00 C ATOM 3 C MET A 1 -6.453 -0.707 -3.133 1.00 0.00 C ATOM 4 O MET A 1 -5.365 -0.407 -3.627 1.00 0.00 O ATOM 5 CB MET A 1 -8.771 0.261 -2.940 1.00 0.00 C ATOM 6 CG MET A 1 -9.362 1.547 -3.496 1.00 0.00 C ATOM 7 SD MET A 1 -11.049 1.337 -4.101 1.00 0.00 S ATOM 8 CE MET A 1 -11.990 1.915 -2.692 1.00 0.00 C ATOM 0 H1 MET A 1 -9.302 -1.440 -4.803 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.752 -2.003 -5.208 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.417 -2.365 -3.688 1.00 0.00 H new ATOM 0 HA MET A 1 -7.511 0.278 -4.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.579 -0.443 -2.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.288 0.475 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.352 2.312 -2.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.732 1.910 -4.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.055 1.846 -2.913 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.759 1.299 -1.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.729 2.952 -2.481 1.00 0.00 H new ATOM 20 N ASN A 2 -6.573 -1.306 -1.947 1.00 0.00 N ATOM 21 CA ASN A 2 -5.405 -1.655 -1.142 1.00 0.00 C ATOM 22 C ASN A 2 -4.850 -3.020 -1.542 1.00 0.00 C ATOM 23 O ASN A 2 -5.598 -3.910 -1.957 1.00 0.00 O ATOM 24 CB ASN A 2 -5.759 -1.659 0.351 1.00 0.00 C ATOM 25 CG ASN A 2 -6.357 -0.344 0.825 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.234 0.684 0.158 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.011 -0.370 1.982 1.00 0.00 N ATOM 0 H ASN A 2 -7.466 -1.559 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.640 -0.900 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.466 -2.465 0.549 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.861 -1.873 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.434 0.483 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.090 -1.243 2.504 1.00 0.00 H new ATOM 34 N VAL A 3 -3.537 -3.179 -1.401 1.00 0.00 N ATOM 35 CA VAL A 3 -2.863 -4.431 -1.728 1.00 0.00 C ATOM 36 C VAL A 3 -2.547 -5.214 -0.458 1.00 0.00 C ATOM 37 O VAL A 3 -2.154 -4.634 0.557 1.00 0.00 O ATOM 38 CB VAL A 3 -1.556 -4.202 -2.523 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.864 -3.772 -3.949 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.665 -3.180 -1.829 1.00 0.00 C ATOM 0 H VAL A 3 -2.914 -2.448 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.546 -5.002 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.014 -5.147 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.932 -3.616 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.447 -4.548 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.435 -2.843 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.247 -3.038 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.195 -2.231 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.408 -3.538 -0.832 1.00 0.00 H new ATOM 50 N THR A 4 -2.727 -6.531 -0.517 1.00 0.00 N ATOM 51 CA THR A 4 -2.467 -7.387 0.637 1.00 0.00 C ATOM 52 C THR A 4 -0.965 -7.543 0.852 1.00 0.00 C ATOM 53 O THR A 4 -0.262 -8.125 0.023 1.00 0.00 O ATOM 54 CB THR A 4 -3.112 -8.766 0.444 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.300 -8.670 -0.329 1.00 0.00 O ATOM 56 CG2 THR A 4 -3.465 -9.451 1.748 1.00 0.00 C ATOM 0 H THR A 4 -3.050 -7.027 -1.348 1.00 0.00 H new ATOM 0 HA THR A 4 -2.906 -6.916 1.517 1.00 0.00 H new ATOM 0 HB THR A 4 -2.358 -9.363 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.691 -9.562 -0.439 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.917 -10.421 1.539 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.561 -9.592 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.171 -8.834 2.304 1.00 0.00 H new ATOM 64 N VAL A 5 -0.481 -7.001 1.968 1.00 0.00 N ATOM 65 CA VAL A 5 0.937 -7.055 2.306 1.00 0.00 C ATOM 66 C VAL A 5 1.177 -7.899 3.559 1.00 0.00 C ATOM 67 O VAL A 5 0.468 -7.761 4.559 1.00 0.00 O ATOM 68 CB VAL A 5 1.522 -5.637 2.523 1.00 0.00 C ATOM 69 CG1 VAL A 5 0.609 -4.790 3.397 1.00 0.00 C ATOM 70 CG2 VAL A 5 2.913 -5.716 3.132 1.00 0.00 C ATOM 0 H VAL A 5 -1.056 -6.516 2.657 1.00 0.00 H new ATOM 0 HA VAL A 5 1.445 -7.520 1.461 1.00 0.00 H new ATOM 0 HB VAL A 5 1.595 -5.157 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.048 -3.801 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.366 -4.693 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.490 -5.268 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.305 -4.709 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.861 -6.226 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.572 -6.270 2.463 1.00 0.00 H new ATOM 80 N GLU A 6 2.189 -8.760 3.496 1.00 0.00 N ATOM 81 CA GLU A 6 2.543 -9.622 4.620 1.00 0.00 C ATOM 82 C GLU A 6 3.473 -8.888 5.581 1.00 0.00 C ATOM 83 O GLU A 6 4.603 -8.546 5.225 1.00 0.00 O ATOM 84 CB GLU A 6 3.213 -10.909 4.123 1.00 0.00 C ATOM 85 CG GLU A 6 2.472 -11.594 2.983 1.00 0.00 C ATOM 86 CD GLU A 6 2.909 -11.098 1.615 1.00 0.00 C ATOM 87 OE1 GLU A 6 4.055 -11.393 1.215 1.00 0.00 O ATOM 88 OE2 GLU A 6 2.107 -10.410 0.949 1.00 0.00 O ATOM 0 H GLU A 6 2.781 -8.880 2.674 1.00 0.00 H new ATOM 0 HA GLU A 6 1.627 -9.887 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.226 -10.676 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.300 -11.606 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.636 -12.670 3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.401 -11.428 3.100 1.00 0.00 H new ATOM 95 N VAL A 7 2.992 -8.646 6.797 1.00 0.00 N ATOM 96 CA VAL A 7 3.782 -7.952 7.810 1.00 0.00 C ATOM 97 C VAL A 7 4.667 -8.932 8.572 1.00 0.00 C ATOM 98 O VAL A 7 4.211 -9.993 8.997 1.00 0.00 O ATOM 99 CB VAL A 7 2.885 -7.198 8.820 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.711 -6.225 9.650 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.750 -6.471 8.110 1.00 0.00 C ATOM 0 H VAL A 7 2.059 -8.920 7.105 1.00 0.00 H new ATOM 0 HA VAL A 7 4.403 -7.227 7.283 1.00 0.00 H new ATOM 0 HB VAL A 7 2.443 -7.934 9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.061 -5.705 10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.476 -6.774 10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.188 -5.499 8.992 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.136 -5.950 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.164 -5.749 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.137 -7.193 7.571 1.00 0.00 H new ATOM 111 N VAL A 8 5.936 -8.572 8.747 1.00 0.00 N ATOM 112 CA VAL A 8 6.875 -9.427 9.468 1.00 0.00 C ATOM 113 C VAL A 8 6.645 -9.318 10.974 1.00 0.00 C ATOM 114 O VAL A 8 6.739 -8.232 11.549 1.00 0.00 O ATOM 115 CB VAL A 8 8.340 -9.065 9.145 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.296 -10.059 9.792 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.556 -9.004 7.637 1.00 0.00 C ATOM 0 H VAL A 8 6.336 -7.700 8.402 1.00 0.00 H new ATOM 0 HA VAL A 8 6.696 -10.452 9.143 1.00 0.00 H new ATOM 0 HB VAL A 8 8.550 -8.079 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.323 -9.785 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.160 -10.044 10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.090 -11.061 9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.595 -8.747 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.326 -9.974 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.902 -8.246 7.206 1.00 0.00 H new ATOM 127 N GLY A 9 6.331 -10.452 11.605 1.00 0.00 N ATOM 128 CA GLY A 9 6.078 -10.466 13.040 1.00 0.00 C ATOM 129 C GLY A 9 4.624 -10.166 13.395 1.00 0.00 C ATOM 130 O GLY A 9 4.154 -10.551 14.466 1.00 0.00 O ATOM 0 H GLY A 9 6.248 -11.360 11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.350 -11.442 13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.723 -9.732 13.524 1.00 0.00 H new ATOM 134 N GLU A 10 3.915 -9.477 12.496 1.00 0.00 N ATOM 135 CA GLU A 10 2.515 -9.115 12.708 1.00 0.00 C ATOM 136 C GLU A 10 1.622 -9.744 11.636 1.00 0.00 C ATOM 137 O GLU A 10 2.114 -10.202 10.604 1.00 0.00 O ATOM 138 CB GLU A 10 2.359 -7.590 12.698 1.00 0.00 C ATOM 139 CG GLU A 10 2.520 -6.946 14.069 1.00 0.00 C ATOM 140 CD GLU A 10 1.256 -6.263 14.560 1.00 0.00 C ATOM 141 OE1 GLU A 10 0.627 -5.527 13.768 1.00 0.00 O ATOM 142 OE2 GLU A 10 0.896 -6.462 15.739 1.00 0.00 O ATOM 0 H GLU A 10 4.295 -9.157 11.605 1.00 0.00 H new ATOM 0 HA GLU A 10 2.204 -9.498 13.680 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.096 -7.163 12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.376 -7.337 12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.817 -7.709 14.789 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.328 -6.215 14.028 1.00 0.00 H new ATOM 149 N GLU A 11 0.311 -9.768 11.894 1.00 0.00 N ATOM 150 CA GLU A 11 -0.660 -10.342 10.955 1.00 0.00 C ATOM 151 C GLU A 11 -0.559 -9.686 9.570 1.00 0.00 C ATOM 152 O GLU A 11 0.339 -8.882 9.316 1.00 0.00 O ATOM 153 CB GLU A 11 -2.080 -10.182 11.509 1.00 0.00 C ATOM 154 CG GLU A 11 -2.658 -11.464 12.088 1.00 0.00 C ATOM 155 CD GLU A 11 -4.074 -11.282 12.601 1.00 0.00 C ATOM 156 OE1 GLU A 11 -5.003 -11.220 11.767 1.00 0.00 O ATOM 157 OE2 GLU A 11 -4.255 -11.202 13.833 1.00 0.00 O ATOM 0 H GLU A 11 -0.104 -9.395 12.748 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.431 -11.402 10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.074 -9.414 12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.733 -9.827 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.649 -12.241 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.022 -11.811 12.902 1.00 0.00 H new ATOM 164 N THR A 12 -1.478 -10.036 8.670 1.00 0.00 N ATOM 165 CA THR A 12 -1.463 -9.482 7.318 1.00 0.00 C ATOM 166 C THR A 12 -2.465 -8.337 7.175 1.00 0.00 C ATOM 167 O THR A 12 -3.637 -8.469 7.535 1.00 0.00 O ATOM 168 CB THR A 12 -1.766 -10.580 6.292 1.00 0.00 C ATOM 169 OG1 THR A 12 -1.042 -11.762 6.593 1.00 0.00 O ATOM 170 CG2 THR A 12 -1.419 -10.185 4.873 1.00 0.00 C ATOM 0 H THR A 12 -2.235 -10.695 8.851 1.00 0.00 H new ATOM 0 HA THR A 12 -0.466 -9.082 7.131 1.00 0.00 H new ATOM 0 HB THR A 12 -2.841 -10.745 6.357 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.250 -12.451 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.658 -11.007 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.994 -9.303 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.354 -9.960 4.808 1.00 0.00 H new ATOM 178 N SER A 13 -1.983 -7.209 6.647 1.00 0.00 N ATOM 179 CA SER A 13 -2.813 -6.022 6.448 1.00 0.00 C ATOM 180 C SER A 13 -2.744 -5.535 5.001 1.00 0.00 C ATOM 181 O SER A 13 -1.842 -5.911 4.251 1.00 0.00 O ATOM 182 CB SER A 13 -2.371 -4.900 7.395 1.00 0.00 C ATOM 183 OG SER A 13 -2.876 -5.106 8.703 1.00 0.00 O ATOM 0 H SER A 13 -1.014 -7.095 6.348 1.00 0.00 H new ATOM 0 HA SER A 13 -3.845 -6.295 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.282 -4.854 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.720 -3.940 7.014 1.00 0.00 H new ATOM 0 HG SER A 13 -2.578 -4.378 9.287 1.00 0.00 H new ATOM 189 N GLU A 14 -3.705 -4.695 4.615 1.00 0.00 N ATOM 190 CA GLU A 14 -3.759 -4.151 3.257 1.00 0.00 C ATOM 191 C GLU A 14 -3.307 -2.691 3.236 1.00 0.00 C ATOM 192 O GLU A 14 -3.678 -1.906 4.112 1.00 0.00 O ATOM 193 CB GLU A 14 -5.176 -4.262 2.687 1.00 0.00 C ATOM 194 CG GLU A 14 -5.745 -5.674 2.721 1.00 0.00 C ATOM 195 CD GLU A 14 -7.153 -5.759 2.159 1.00 0.00 C ATOM 196 OE1 GLU A 14 -7.419 -5.133 1.109 1.00 0.00 O ATOM 197 OE2 GLU A 14 -7.992 -6.457 2.768 1.00 0.00 O ATOM 0 H GLU A 14 -4.458 -4.376 5.225 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.080 -4.736 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.836 -3.601 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.172 -3.907 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.092 -6.337 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.748 -6.034 3.750 1.00 0.00 H new ATOM 204 N VAL A 15 -2.509 -2.338 2.230 1.00 0.00 N ATOM 205 CA VAL A 15 -2.005 -0.974 2.085 1.00 0.00 C ATOM 206 C VAL A 15 -2.455 -0.357 0.759 1.00 0.00 C ATOM 207 O VAL A 15 -2.575 -1.051 -0.250 1.00 0.00 O ATOM 208 CB VAL A 15 -0.461 -0.926 2.178 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.179 -1.765 1.080 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.040 0.511 2.120 1.00 0.00 C ATOM 0 H VAL A 15 -2.197 -2.980 1.501 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.422 -0.393 2.908 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.170 -1.350 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.264 -1.714 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.145 -2.801 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.124 -1.381 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.128 0.520 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.269 0.966 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.380 1.076 2.952 1.00 0.00 H new ATOM 220 N ALA A 16 -2.700 0.952 0.768 1.00 0.00 N ATOM 221 CA ALA A 16 -3.136 1.661 -0.435 1.00 0.00 C ATOM 222 C ALA A 16 -1.947 2.057 -1.304 1.00 0.00 C ATOM 223 O ALA A 16 -1.027 2.730 -0.839 1.00 0.00 O ATOM 224 CB ALA A 16 -3.946 2.893 -0.058 1.00 0.00 C ATOM 0 H ALA A 16 -2.604 1.543 1.594 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.766 0.985 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.264 3.411 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.823 2.591 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.332 3.561 0.546 1.00 0.00 H new ATOM 230 N VAL A 17 -1.976 1.633 -2.569 1.00 0.00 N ATOM 231 CA VAL A 17 -0.903 1.938 -3.517 1.00 0.00 C ATOM 232 C VAL A 17 -1.452 2.581 -4.786 1.00 0.00 C ATOM 233 O VAL A 17 -2.629 2.425 -5.108 1.00 0.00 O ATOM 234 CB VAL A 17 -0.111 0.676 -3.904 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.780 0.240 -2.752 1.00 0.00 C ATOM 236 CG2 VAL A 17 -1.051 -0.447 -4.329 1.00 0.00 C ATOM 0 H VAL A 17 -2.734 1.075 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.236 2.638 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 17 0.525 0.913 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.335 -0.653 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.480 1.040 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.165 0.021 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.468 -1.328 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.720 -0.693 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.638 -0.124 -5.189 1.00 0.00 H new ATOM 246 N ASP A 18 -0.589 3.302 -5.501 1.00 0.00 N ATOM 247 CA ASP A 18 -0.979 3.976 -6.740 1.00 0.00 C ATOM 248 C ASP A 18 -1.002 3.021 -7.941 1.00 0.00 C ATOM 249 O ASP A 18 -1.611 3.328 -8.967 1.00 0.00 O ATOM 250 CB ASP A 18 -0.034 5.146 -7.023 1.00 0.00 C ATOM 251 CG ASP A 18 -0.738 6.489 -6.980 1.00 0.00 C ATOM 252 OD1 ASP A 18 -0.886 7.049 -5.873 1.00 0.00 O ATOM 253 OD2 ASP A 18 -1.142 6.980 -8.055 1.00 0.00 O ATOM 0 H ASP A 18 0.389 3.435 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.994 4.348 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.774 5.140 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.422 5.011 -8.004 1.00 0.00 H new ATOM 258 N ASP A 19 -0.333 1.868 -7.812 1.00 0.00 N ATOM 259 CA ASP A 19 -0.281 0.877 -8.895 1.00 0.00 C ATOM 260 C ASP A 19 -1.681 0.465 -9.337 1.00 0.00 C ATOM 261 O ASP A 19 -1.944 0.323 -10.532 1.00 0.00 O ATOM 262 CB ASP A 19 0.492 -0.367 -8.450 1.00 0.00 C ATOM 263 CG ASP A 19 1.967 -0.286 -8.786 1.00 0.00 C ATOM 264 OD1 ASP A 19 2.342 -0.701 -9.902 1.00 0.00 O ATOM 265 OD2 ASP A 19 2.745 0.189 -7.934 1.00 0.00 O ATOM 0 H ASP A 19 0.178 1.599 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 19 0.231 1.343 -9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.375 -0.498 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.062 -1.248 -8.927 1.00 0.00 H new ATOM 270 N ASP A 20 -2.581 0.284 -8.365 1.00 0.00 N ATOM 271 CA ASP A 20 -3.961 -0.103 -8.656 1.00 0.00 C ATOM 272 C ASP A 20 -4.578 0.830 -9.698 1.00 0.00 C ATOM 273 O ASP A 20 -5.368 0.400 -10.543 1.00 0.00 O ATOM 274 CB ASP A 20 -4.805 -0.083 -7.373 1.00 0.00 C ATOM 275 CG ASP A 20 -5.893 -1.144 -7.360 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.555 -1.337 -8.402 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.086 -1.781 -6.303 1.00 0.00 O ATOM 0 H ASP A 20 -2.377 0.400 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.950 -1.116 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.152 -0.230 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.263 0.900 -7.261 1.00 0.00 H new ATOM 282 N GLY A 21 -4.211 2.112 -9.629 1.00 0.00 N ATOM 283 CA GLY A 21 -4.732 3.095 -10.563 1.00 0.00 C ATOM 284 C GLY A 21 -6.178 3.470 -10.271 1.00 0.00 C ATOM 285 O GLY A 21 -6.909 3.878 -11.176 1.00 0.00 O ATOM 0 H GLY A 21 -3.559 2.485 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.113 3.991 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.660 2.701 -11.577 1.00 0.00 H new ATOM 289 N THR A 22 -6.594 3.329 -9.010 1.00 0.00 N ATOM 290 CA THR A 22 -7.963 3.654 -8.611 1.00 0.00 C ATOM 291 C THR A 22 -8.064 5.091 -8.101 1.00 0.00 C ATOM 292 O THR A 22 -7.049 5.738 -7.832 1.00 0.00 O ATOM 293 CB THR A 22 -8.459 2.670 -7.542 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.634 2.709 -6.388 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.497 1.234 -8.027 1.00 0.00 C ATOM 0 H THR A 22 -6.003 2.993 -8.250 1.00 0.00 H new ATOM 0 HA THR A 22 -8.599 3.564 -9.492 1.00 0.00 H new ATOM 0 HB THR A 22 -9.474 2.992 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.245 1.823 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.856 0.589 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.167 1.157 -8.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.495 0.923 -8.322 1.00 0.00 H new ATOM 303 N TYR A 23 -9.296 5.587 -7.968 1.00 0.00 N ATOM 304 CA TYR A 23 -9.532 6.952 -7.490 1.00 0.00 C ATOM 305 C TYR A 23 -8.980 7.146 -6.078 1.00 0.00 C ATOM 306 O TYR A 23 -8.492 8.227 -5.741 1.00 0.00 O ATOM 307 CB TYR A 23 -11.029 7.280 -7.512 1.00 0.00 C ATOM 308 CG TYR A 23 -11.339 8.693 -7.963 1.00 0.00 C ATOM 309 CD1 TYR A 23 -10.792 9.209 -9.132 1.00 0.00 C ATOM 310 CD2 TYR A 23 -12.185 9.508 -7.220 1.00 0.00 C ATOM 311 CE1 TYR A 23 -11.080 10.495 -9.547 1.00 0.00 C ATOM 312 CE2 TYR A 23 -12.477 10.796 -7.630 1.00 0.00 C ATOM 313 CZ TYR A 23 -11.922 11.284 -8.793 1.00 0.00 C ATOM 314 OH TYR A 23 -12.214 12.565 -9.205 1.00 0.00 O ATOM 0 H TYR A 23 -10.145 5.065 -8.184 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.008 7.632 -8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.536 6.578 -8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.439 7.129 -6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.131 8.595 -9.726 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.621 9.129 -6.308 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.647 10.880 -10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.137 11.416 -7.042 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.823 12.985 -8.562 1.00 0.00 H new ATOM 324 N ALA A 24 -9.052 6.094 -5.258 1.00 0.00 N ATOM 325 CA ALA A 24 -8.551 6.146 -3.886 1.00 0.00 C ATOM 326 C ALA A 24 -7.066 6.525 -3.850 1.00 0.00 C ATOM 327 O ALA A 24 -6.620 7.228 -2.941 1.00 0.00 O ATOM 328 CB ALA A 24 -8.775 4.812 -3.187 1.00 0.00 C ATOM 0 H ALA A 24 -9.454 5.195 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.108 6.919 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.396 4.868 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.841 4.586 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.248 4.025 -3.727 1.00 0.00 H new ATOM 334 N ASP A 25 -6.314 6.054 -4.850 1.00 0.00 N ATOM 335 CA ASP A 25 -4.878 6.342 -4.944 1.00 0.00 C ATOM 336 C ASP A 25 -4.625 7.848 -5.016 1.00 0.00 C ATOM 337 O ASP A 25 -3.672 8.350 -4.422 1.00 0.00 O ATOM 338 CB ASP A 25 -4.269 5.657 -6.175 1.00 0.00 C ATOM 339 CG ASP A 25 -4.554 4.163 -6.245 1.00 0.00 C ATOM 340 OD1 ASP A 25 -5.084 3.601 -5.262 1.00 0.00 O ATOM 341 OD2 ASP A 25 -4.244 3.554 -7.287 1.00 0.00 O ATOM 0 H ASP A 25 -6.675 5.472 -5.606 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.402 5.950 -4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.656 6.135 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.190 5.813 -6.170 1.00 0.00 H new ATOM 346 N LEU A 26 -5.494 8.564 -5.732 1.00 0.00 N ATOM 347 CA LEU A 26 -5.369 10.016 -5.860 1.00 0.00 C ATOM 348 C LEU A 26 -5.408 10.685 -4.481 1.00 0.00 C ATOM 349 O LEU A 26 -4.737 11.691 -4.253 1.00 0.00 O ATOM 350 CB LEU A 26 -6.491 10.577 -6.745 1.00 0.00 C ATOM 351 CG LEU A 26 -6.048 11.584 -7.813 1.00 0.00 C ATOM 352 CD1 LEU A 26 -5.479 12.839 -7.167 1.00 0.00 C ATOM 353 CD2 LEU A 26 -5.030 10.955 -8.755 1.00 0.00 C ATOM 0 H LEU A 26 -6.289 8.163 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.409 10.234 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.990 9.744 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.231 11.056 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.923 11.869 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.171 13.540 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.241 13.303 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.617 12.574 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.728 11.686 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.156 10.637 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.476 10.091 -9.248 1.00 0.00 H new ATOM 365 N VAL A 27 -6.194 10.110 -3.564 1.00 0.00 N ATOM 366 CA VAL A 27 -6.316 10.643 -2.206 1.00 0.00 C ATOM 367 C VAL A 27 -5.029 10.420 -1.411 1.00 0.00 C ATOM 368 O VAL A 27 -4.482 11.358 -0.828 1.00 0.00 O ATOM 369 CB VAL A 27 -7.502 10.003 -1.444 1.00 0.00 C ATOM 370 CG1 VAL A 27 -7.718 10.698 -0.105 1.00 0.00 C ATOM 371 CG2 VAL A 27 -8.775 10.039 -2.284 1.00 0.00 C ATOM 0 H VAL A 27 -6.754 9.276 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.500 11.713 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.256 8.959 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.556 10.234 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.818 10.605 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.935 11.753 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.593 9.583 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.027 11.073 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.616 9.486 -3.210 1.00 0.00 H new ATOM 381 N ARG A 28 -4.546 9.177 -1.395 1.00 0.00 N ATOM 382 CA ARG A 28 -3.317 8.838 -0.672 1.00 0.00 C ATOM 383 C ARG A 28 -2.100 9.539 -1.289 1.00 0.00 C ATOM 384 O ARG A 28 -1.182 9.938 -0.570 1.00 0.00 O ATOM 385 CB ARG A 28 -3.100 7.319 -0.622 1.00 0.00 C ATOM 386 CG ARG A 28 -2.910 6.660 -1.980 1.00 0.00 C ATOM 387 CD ARG A 28 -1.749 5.679 -1.960 1.00 0.00 C ATOM 388 NE ARG A 28 -0.459 6.354 -2.120 1.00 0.00 N ATOM 389 CZ ARG A 28 0.715 5.832 -1.746 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.776 4.621 -1.200 1.00 0.00 N ATOM 391 NH2 ARG A 28 1.835 6.526 -1.921 1.00 0.00 N ATOM 0 H ARG A 28 -4.985 8.390 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.431 9.195 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.225 7.111 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.955 6.859 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.824 6.139 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.730 7.425 -2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.756 5.128 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.878 4.948 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.455 7.282 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.078 4.080 -1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.676 4.233 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.799 7.455 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.731 6.129 -1.636 1.00 0.00 H new ATOM 405 N ALA A 29 -2.104 9.685 -2.620 1.00 0.00 N ATOM 406 CA ALA A 29 -1.008 10.346 -3.339 1.00 0.00 C ATOM 407 C ALA A 29 -0.749 11.762 -2.810 1.00 0.00 C ATOM 408 O ALA A 29 0.365 12.278 -2.926 1.00 0.00 O ATOM 409 CB ALA A 29 -1.303 10.394 -4.834 1.00 0.00 C ATOM 0 H ALA A 29 -2.857 9.353 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.107 9.757 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.480 10.887 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.415 9.379 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.225 10.950 -5.005 1.00 0.00 H new ATOM 415 N VAL A 30 -1.775 12.382 -2.221 1.00 0.00 N ATOM 416 CA VAL A 30 -1.650 13.729 -1.665 1.00 0.00 C ATOM 417 C VAL A 30 -1.154 13.685 -0.209 1.00 0.00 C ATOM 418 O VAL A 30 -1.393 14.615 0.564 1.00 0.00 O ATOM 419 CB VAL A 30 -2.996 14.491 -1.738 1.00 0.00 C ATOM 420 CG1 VAL A 30 -2.801 15.970 -1.426 1.00 0.00 C ATOM 421 CG2 VAL A 30 -3.640 14.314 -3.108 1.00 0.00 C ATOM 0 H VAL A 30 -2.703 11.970 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.915 14.261 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.664 14.070 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.761 16.484 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.391 16.079 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.112 16.407 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.585 14.857 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.972 14.703 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.824 13.255 -3.289 1.00 0.00 H new ATOM 431 N ASP A 31 -0.467 12.595 0.160 1.00 0.00 N ATOM 432 CA ASP A 31 0.059 12.421 1.515 1.00 0.00 C ATOM 433 C ASP A 31 -1.075 12.304 2.536 1.00 0.00 C ATOM 434 O ASP A 31 -1.058 12.956 3.582 1.00 0.00 O ATOM 435 CB ASP A 31 0.997 13.579 1.887 1.00 0.00 C ATOM 436 CG ASP A 31 2.027 13.875 0.810 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.839 12.977 0.497 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.023 15.008 0.284 1.00 0.00 O ATOM 0 H ASP A 31 -0.263 11.818 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 31 0.630 11.493 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.404 14.475 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.511 13.339 2.818 1.00 0.00 H new ATOM 443 N LEU A 32 -2.059 11.462 2.221 1.00 0.00 N ATOM 444 CA LEU A 32 -3.201 11.246 3.106 1.00 0.00 C ATOM 445 C LEU A 32 -3.411 9.751 3.365 1.00 0.00 C ATOM 446 O LEU A 32 -4.547 9.281 3.456 1.00 0.00 O ATOM 447 CB LEU A 32 -4.466 11.858 2.493 1.00 0.00 C ATOM 448 CG LEU A 32 -4.607 13.375 2.663 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.742 14.056 1.309 1.00 0.00 C ATOM 450 CD2 LEU A 32 -5.801 13.700 3.550 1.00 0.00 C ATOM 0 H LEU A 32 -2.087 10.918 1.358 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.996 11.734 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.484 11.625 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.336 11.376 2.939 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.706 13.754 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.841 15.132 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.857 13.849 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.625 13.675 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.888 14.781 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.710 13.308 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.661 13.244 4.530 1.00 0.00 H new ATOM 462 N SER A 33 -2.308 9.009 3.483 1.00 0.00 N ATOM 463 CA SER A 33 -2.371 7.571 3.732 1.00 0.00 C ATOM 464 C SER A 33 -2.688 7.286 5.200 1.00 0.00 C ATOM 465 O SER A 33 -1.989 7.759 6.096 1.00 0.00 O ATOM 466 CB SER A 33 -1.049 6.901 3.342 1.00 0.00 C ATOM 467 OG SER A 33 -1.050 6.527 1.975 1.00 0.00 O ATOM 0 H SER A 33 -1.361 9.382 3.410 1.00 0.00 H new ATOM 0 HA SER A 33 -3.171 7.158 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.221 7.583 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.887 6.020 3.963 1.00 0.00 H new ATOM 0 HG SER A 33 -0.195 6.103 1.751 1.00 0.00 H new ATOM 473 N PRO A 34 -3.758 6.506 5.463 1.00 0.00 N ATOM 474 CA PRO A 34 -4.171 6.161 6.828 1.00 0.00 C ATOM 475 C PRO A 34 -3.306 5.063 7.453 1.00 0.00 C ATOM 476 O PRO A 34 -3.086 5.056 8.666 1.00 0.00 O ATOM 477 CB PRO A 34 -5.607 5.669 6.639 1.00 0.00 C ATOM 478 CG PRO A 34 -5.630 5.096 5.264 1.00 0.00 C ATOM 479 CD PRO A 34 -4.650 5.904 4.450 1.00 0.00 C ATOM 0 HA PRO A 34 -4.074 7.007 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.871 4.920 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.322 6.485 6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.349 4.043 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.631 5.153 4.836 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.096 5.276 3.753 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.156 6.667 3.859 1.00 0.00 H new ATOM 487 N HIS A 35 -2.822 4.136 6.622 1.00 0.00 N ATOM 488 CA HIS A 35 -1.984 3.034 7.101 1.00 0.00 C ATOM 489 C HIS A 35 -0.550 3.502 7.362 1.00 0.00 C ATOM 490 O HIS A 35 0.053 3.134 8.371 1.00 0.00 O ATOM 491 CB HIS A 35 -1.983 1.883 6.089 1.00 0.00 C ATOM 492 CG HIS A 35 -2.118 0.529 6.717 1.00 0.00 C ATOM 493 ND1 HIS A 35 -1.253 -0.514 6.457 1.00 0.00 N ATOM 494 CD2 HIS A 35 -3.031 0.045 7.596 1.00 0.00 C ATOM 495 CE1 HIS A 35 -1.626 -1.577 7.148 1.00 0.00 C ATOM 496 NE2 HIS A 35 -2.700 -1.263 7.845 1.00 0.00 N ATOM 0 H HIS A 35 -2.996 4.127 5.617 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.405 2.680 8.042 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.801 2.030 5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.057 1.917 5.515 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.863 0.588 8.020 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.135 -2.539 7.143 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.204 -1.892 8.470 1.00 0.00 H new ATOM 505 N GLU A 36 -0.015 4.314 6.442 1.00 0.00 N ATOM 506 CA GLU A 36 1.346 4.841 6.558 1.00 0.00 C ATOM 507 C GLU A 36 2.349 3.724 6.850 1.00 0.00 C ATOM 508 O GLU A 36 2.868 3.610 7.964 1.00 0.00 O ATOM 509 CB GLU A 36 1.414 5.918 7.645 1.00 0.00 C ATOM 510 CG GLU A 36 2.488 6.963 7.393 1.00 0.00 C ATOM 511 CD GLU A 36 2.627 7.943 8.540 1.00 0.00 C ATOM 512 OE1 GLU A 36 1.805 8.878 8.626 1.00 0.00 O ATOM 513 OE2 GLU A 36 3.563 7.775 9.351 1.00 0.00 O ATOM 0 H GLU A 36 -0.510 4.621 5.604 1.00 0.00 H new ATOM 0 HA GLU A 36 1.613 5.292 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.446 6.413 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.600 5.441 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.443 6.465 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.251 7.509 6.480 1.00 0.00 H new ATOM 520 N VAL A 37 2.612 2.900 5.840 1.00 0.00 N ATOM 521 CA VAL A 37 3.547 1.788 5.981 1.00 0.00 C ATOM 522 C VAL A 37 4.663 1.863 4.942 1.00 0.00 C ATOM 523 O VAL A 37 4.509 2.495 3.895 1.00 0.00 O ATOM 524 CB VAL A 37 2.826 0.427 5.852 1.00 0.00 C ATOM 525 CG1 VAL A 37 1.899 0.201 7.035 1.00 0.00 C ATOM 526 CG2 VAL A 37 2.058 0.346 4.541 1.00 0.00 C ATOM 0 H VAL A 37 2.191 2.981 4.915 1.00 0.00 H new ATOM 0 HA VAL A 37 3.982 1.869 6.977 1.00 0.00 H new ATOM 0 HB VAL A 37 3.579 -0.361 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.400 -0.762 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.479 0.208 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.153 0.995 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.558 -0.620 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.315 1.142 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.750 0.458 3.706 1.00 0.00 H new ATOM 536 N THR A 38 5.786 1.212 5.242 1.00 0.00 N ATOM 537 CA THR A 38 6.933 1.201 4.338 1.00 0.00 C ATOM 538 C THR A 38 6.779 0.103 3.291 1.00 0.00 C ATOM 539 O THR A 38 6.734 -1.081 3.624 1.00 0.00 O ATOM 540 CB THR A 38 8.235 0.999 5.127 1.00 0.00 C ATOM 541 OG1 THR A 38 8.256 1.818 6.284 1.00 0.00 O ATOM 542 CG2 THR A 38 9.481 1.307 4.323 1.00 0.00 C ATOM 0 H THR A 38 5.925 0.685 6.104 1.00 0.00 H new ATOM 0 HA THR A 38 6.977 2.164 3.829 1.00 0.00 H new ATOM 0 HB THR A 38 8.247 -0.058 5.392 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.093 1.672 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.363 1.143 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.523 0.654 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.455 2.346 3.996 1.00 0.00 H new ATOM 550 N VAL A 39 6.693 0.509 2.026 1.00 0.00 N ATOM 551 CA VAL A 39 6.535 -0.431 0.918 1.00 0.00 C ATOM 552 C VAL A 39 7.885 -0.796 0.304 1.00 0.00 C ATOM 553 O VAL A 39 8.738 0.070 0.100 1.00 0.00 O ATOM 554 CB VAL A 39 5.610 0.132 -0.188 1.00 0.00 C ATOM 555 CG1 VAL A 39 4.237 0.468 0.378 1.00 0.00 C ATOM 556 CG2 VAL A 39 6.233 1.352 -0.856 1.00 0.00 C ATOM 0 H VAL A 39 6.730 1.488 1.742 1.00 0.00 H new ATOM 0 HA VAL A 39 6.075 -1.326 1.336 1.00 0.00 H new ATOM 0 HB VAL A 39 5.487 -0.639 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.603 0.862 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.783 -0.433 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.341 1.216 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.561 1.726 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.398 2.130 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.185 1.073 -1.307 1.00 0.00 H new ATOM 566 N LEU A 40 8.072 -2.082 0.011 1.00 0.00 N ATOM 567 CA LEU A 40 9.322 -2.553 -0.586 1.00 0.00 C ATOM 568 C LEU A 40 9.316 -2.323 -2.096 1.00 0.00 C ATOM 569 O LEU A 40 8.256 -2.195 -2.711 1.00 0.00 O ATOM 570 CB LEU A 40 9.547 -4.040 -0.281 1.00 0.00 C ATOM 571 CG LEU A 40 10.498 -4.330 0.884 1.00 0.00 C ATOM 572 CD1 LEU A 40 10.578 -5.826 1.149 1.00 0.00 C ATOM 573 CD2 LEU A 40 11.886 -3.763 0.602 1.00 0.00 C ATOM 0 H LEU A 40 7.379 -2.813 0.176 1.00 0.00 H new ATOM 0 HA LEU A 40 10.140 -1.982 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.583 -4.500 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.937 -4.523 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 40 10.103 -3.842 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.258 -6.012 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.587 -6.205 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.946 -6.334 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.545 -3.980 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.288 -4.219 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.817 -2.684 0.464 1.00 0.00 H new ATOM 585 N VAL A 41 10.509 -2.270 -2.684 1.00 0.00 N ATOM 586 CA VAL A 41 10.656 -2.053 -4.111 1.00 0.00 C ATOM 587 C VAL A 41 11.068 -3.345 -4.802 1.00 0.00 C ATOM 588 O VAL A 41 11.889 -4.102 -4.279 1.00 0.00 O ATOM 589 CB VAL A 41 11.697 -0.951 -4.414 1.00 0.00 C ATOM 590 CG1 VAL A 41 11.705 -0.603 -5.896 1.00 0.00 C ATOM 591 CG2 VAL A 41 11.425 0.290 -3.575 1.00 0.00 C ATOM 0 H VAL A 41 11.392 -2.376 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 41 9.689 -1.725 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 41 12.682 -1.336 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.446 0.175 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.956 -1.491 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.719 -0.243 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.169 1.054 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.430 0.673 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.481 0.033 -2.517 1.00 0.00 H new ATOM 601 N ASP A 42 10.489 -3.590 -5.973 1.00 0.00 N ATOM 602 CA ASP A 42 10.787 -4.788 -6.747 1.00 0.00 C ATOM 603 C ASP A 42 12.292 -5.006 -6.845 1.00 0.00 C ATOM 604 O ASP A 42 13.047 -4.090 -7.179 1.00 0.00 O ATOM 605 CB ASP A 42 10.185 -4.664 -8.141 1.00 0.00 C ATOM 606 CG ASP A 42 10.661 -5.747 -9.092 1.00 0.00 C ATOM 607 OD1 ASP A 42 10.473 -6.943 -8.778 1.00 0.00 O ATOM 608 OD2 ASP A 42 11.226 -5.400 -10.151 1.00 0.00 O ATOM 0 H ASP A 42 9.806 -2.970 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 42 10.348 -5.648 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.098 -4.706 -8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.439 -3.688 -8.555 1.00 0.00 H new ATOM 613 N GLY A 43 12.716 -6.224 -6.540 1.00 0.00 N ATOM 614 CA GLY A 43 14.127 -6.564 -6.580 1.00 0.00 C ATOM 615 C GLY A 43 14.413 -7.903 -5.920 1.00 0.00 C ATOM 616 O GLY A 43 15.342 -8.611 -6.315 1.00 0.00 O ATOM 0 H GLY A 43 12.103 -6.991 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.463 -6.592 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.701 -5.784 -6.080 1.00 0.00 H new ATOM 759 N GLU A 53 -2.920 -5.062 -12.635 1.00 0.00 N ATOM 760 CA GLU A 53 -2.540 -3.662 -12.427 1.00 0.00 C ATOM 761 C GLU A 53 -1.998 -3.408 -11.011 1.00 0.00 C ATOM 762 O GLU A 53 -1.463 -2.334 -10.736 1.00 0.00 O ATOM 763 CB GLU A 53 -3.733 -2.737 -12.694 1.00 0.00 C ATOM 764 CG GLU A 53 -4.541 -3.110 -13.931 1.00 0.00 C ATOM 765 CD GLU A 53 -5.296 -1.931 -14.513 1.00 0.00 C ATOM 766 OE1 GLU A 53 -4.709 -1.197 -15.335 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.477 -1.740 -14.148 1.00 0.00 O ATOM 0 HA GLU A 53 -1.740 -3.444 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.391 -2.750 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.370 -1.715 -12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.871 -3.517 -14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.248 -3.898 -13.674 1.00 0.00 H new ATOM 774 N VAL A 54 -2.133 -4.389 -10.117 1.00 0.00 N ATOM 775 CA VAL A 54 -1.652 -4.246 -8.745 1.00 0.00 C ATOM 776 C VAL A 54 -0.382 -5.062 -8.513 1.00 0.00 C ATOM 777 O VAL A 54 0.036 -5.836 -9.378 1.00 0.00 O ATOM 778 CB VAL A 54 -2.729 -4.663 -7.716 1.00 0.00 C ATOM 779 CG1 VAL A 54 -3.962 -3.779 -7.853 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.095 -6.135 -7.872 1.00 0.00 C ATOM 0 H VAL A 54 -2.570 -5.288 -10.319 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.425 -3.190 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.317 -4.528 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.711 -4.084 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.686 -2.739 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.372 -3.880 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.854 -6.401 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.485 -6.309 -8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.208 -6.749 -7.716 1.00 0.00 H new ATOM 790 N ASP A 55 0.238 -4.868 -7.351 1.00 0.00 N ATOM 791 CA ASP A 55 1.470 -5.570 -7.002 1.00 0.00 C ATOM 792 C ASP A 55 1.536 -5.860 -5.500 1.00 0.00 C ATOM 793 O ASP A 55 0.885 -5.186 -4.701 1.00 0.00 O ATOM 794 CB ASP A 55 2.688 -4.743 -7.433 1.00 0.00 C ATOM 795 CG ASP A 55 2.805 -3.423 -6.684 1.00 0.00 C ATOM 796 OD1 ASP A 55 1.818 -2.655 -6.664 1.00 0.00 O ATOM 797 OD2 ASP A 55 3.885 -3.157 -6.119 1.00 0.00 O ATOM 0 H ASP A 55 -0.096 -4.226 -6.632 1.00 0.00 H new ATOM 0 HA ASP A 55 1.478 -6.523 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.593 -5.328 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.625 -4.543 -8.503 1.00 0.00 H new ATOM 802 N ARG A 56 2.331 -6.862 -5.126 1.00 0.00 N ATOM 803 CA ARG A 56 2.487 -7.237 -3.724 1.00 0.00 C ATOM 804 C ARG A 56 3.714 -6.563 -3.122 1.00 0.00 C ATOM 805 O ARG A 56 4.790 -6.553 -3.725 1.00 0.00 O ATOM 806 CB ARG A 56 2.607 -8.758 -3.578 1.00 0.00 C ATOM 807 CG ARG A 56 1.619 -9.361 -2.590 1.00 0.00 C ATOM 808 CD ARG A 56 0.185 -8.985 -2.936 1.00 0.00 C ATOM 809 NE ARG A 56 -0.760 -10.067 -2.653 1.00 0.00 N ATOM 810 CZ ARG A 56 -2.043 -10.047 -3.020 1.00 0.00 C ATOM 811 NH1 ARG A 56 -2.542 -9.002 -3.674 1.00 0.00 N ATOM 812 NH2 ARG A 56 -2.833 -11.077 -2.731 1.00 0.00 N ATOM 0 H ARG A 56 2.877 -7.428 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 56 1.600 -6.902 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.458 -9.220 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.620 -9.004 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.721 -10.446 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.854 -9.017 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.102 -8.099 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.126 -8.722 -3.992 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.418 -10.883 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.943 -8.208 -3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.524 -8.995 -3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.458 -11.882 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.814 -11.062 -3.011 1.00 0.00 H new ATOM 826 N VAL A 57 3.543 -6.000 -1.931 1.00 0.00 N ATOM 827 CA VAL A 57 4.628 -5.316 -1.238 1.00 0.00 C ATOM 828 C VAL A 57 4.766 -5.813 0.200 1.00 0.00 C ATOM 829 O VAL A 57 3.884 -6.504 0.712 1.00 0.00 O ATOM 830 CB VAL A 57 4.417 -3.785 -1.229 1.00 0.00 C ATOM 831 CG1 VAL A 57 4.699 -3.196 -2.606 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.007 -3.436 -0.772 1.00 0.00 C ATOM 0 H VAL A 57 2.658 -6.004 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 57 5.543 -5.543 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 57 5.120 -3.349 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.545 -2.117 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.730 -3.408 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.024 -3.641 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.882 -2.353 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.283 -3.886 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.846 -3.818 0.236 1.00 0.00 H new ATOM 842 N LYS A 58 5.877 -5.454 0.843 1.00 0.00 N ATOM 843 CA LYS A 58 6.138 -5.849 2.227 1.00 0.00 C ATOM 844 C LYS A 58 6.188 -4.618 3.126 1.00 0.00 C ATOM 845 O LYS A 58 6.832 -3.624 2.787 1.00 0.00 O ATOM 846 CB LYS A 58 7.455 -6.621 2.326 1.00 0.00 C ATOM 847 CG LYS A 58 7.417 -7.979 1.644 1.00 0.00 C ATOM 848 CD LYS A 58 6.904 -9.060 2.585 1.00 0.00 C ATOM 849 CE LYS A 58 7.082 -10.449 1.989 1.00 0.00 C ATOM 850 NZ LYS A 58 8.506 -10.894 2.011 1.00 0.00 N ATOM 0 H LYS A 58 6.614 -4.887 0.425 1.00 0.00 H new ATOM 0 HA LYS A 58 5.327 -6.498 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.251 -6.023 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.708 -6.759 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.777 -7.928 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.416 -8.241 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.436 -9.000 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.849 -8.887 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.472 -11.162 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.718 -10.451 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.564 -11.887 1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.065 -10.301 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.883 -10.805 2.976 1.00 0.00 H new ATOM 864 N VAL A 59 5.501 -4.689 4.267 1.00 0.00 N ATOM 865 CA VAL A 59 5.465 -3.575 5.211 1.00 0.00 C ATOM 866 C VAL A 59 6.421 -3.805 6.376 1.00 0.00 C ATOM 867 O VAL A 59 6.432 -4.878 6.984 1.00 0.00 O ATOM 868 CB VAL A 59 4.043 -3.324 5.765 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.122 -2.811 4.670 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.470 -4.584 6.404 1.00 0.00 C ATOM 0 H VAL A 59 4.963 -5.505 4.558 1.00 0.00 H new ATOM 0 HA VAL A 59 5.779 -2.693 4.652 1.00 0.00 H new ATOM 0 HB VAL A 59 4.116 -2.560 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.127 -2.641 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.515 -1.875 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.063 -3.548 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.470 -4.377 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.418 -5.378 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.112 -4.899 7.226 1.00 0.00 H new ATOM 880 N LEU A 60 7.223 -2.788 6.681 1.00 0.00 N ATOM 881 CA LEU A 60 8.185 -2.872 7.771 1.00 0.00 C ATOM 882 C LEU A 60 7.711 -2.065 8.976 1.00 0.00 C ATOM 883 O LEU A 60 7.665 -0.834 8.931 1.00 0.00 O ATOM 884 CB LEU A 60 9.558 -2.377 7.308 1.00 0.00 C ATOM 885 CG LEU A 60 10.677 -3.421 7.345 1.00 0.00 C ATOM 886 CD1 LEU A 60 10.934 -3.880 8.773 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.336 -4.606 6.451 1.00 0.00 C ATOM 0 H LEU A 60 7.224 -1.896 6.187 1.00 0.00 H new ATOM 0 HA LEU A 60 8.271 -3.916 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.466 -2.003 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.851 -1.533 7.932 1.00 0.00 H new ATOM 0 HG LEU A 60 11.589 -2.960 6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.733 -4.622 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.228 -3.026 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.025 -4.322 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.144 -5.337 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.411 -5.068 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.208 -4.262 5.424 1.00 0.00 H new ATOM 899 N ARG A 61 7.359 -2.765 10.053 1.00 0.00 N ATOM 900 CA ARG A 61 6.887 -2.115 11.274 1.00 0.00 C ATOM 901 C ARG A 61 7.710 -2.549 12.493 1.00 0.00 C ATOM 902 O ARG A 61 7.198 -2.596 13.613 1.00 0.00 O ATOM 903 CB ARG A 61 5.402 -2.431 11.491 1.00 0.00 C ATOM 904 CG ARG A 61 4.573 -1.229 11.920 1.00 0.00 C ATOM 905 CD ARG A 61 4.431 -0.212 10.795 1.00 0.00 C ATOM 906 NE ARG A 61 3.063 -0.156 10.273 1.00 0.00 N ATOM 907 CZ ARG A 61 2.070 0.538 10.840 1.00 0.00 C ATOM 908 NH1 ARG A 61 2.274 1.216 11.967 1.00 0.00 N ATOM 909 NH2 ARG A 61 0.862 0.544 10.281 1.00 0.00 N ATOM 0 H ARG A 61 7.392 -3.783 10.105 1.00 0.00 H new ATOM 0 HA ARG A 61 7.012 -1.038 11.158 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.988 -2.835 10.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.313 -3.210 12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.585 -1.563 12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.040 -0.754 12.783 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.720 0.774 11.159 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.117 -0.467 9.987 1.00 0.00 H new ATOM 0 HE ARG A 61 2.855 -0.680 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.194 1.210 12.407 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.510 1.742 12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.695 0.020 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.103 1.073 10.712 1.00 0.00 H new