USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 429 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 26 LYS NZ :NH3+ 166:sc= 2.37 (180deg=0.713) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 2 THR OG1 : rot -25:sc= 0.516 USER MOD Single : A 3 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.0073) USER MOD Single : A 4 HIS : no HD1:sc= 0.765 K(o=0.77,f=-3.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 39:sc= 1.26 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 29 SER OG : rot 88:sc= 0.447 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 22:sc= -0.107 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 56:sc= 0.802 USER MOD Single : A 48 GLN : amide:sc= -0.522 K(o=-0.52,f=-3.7!) USER MOD Single : A 49 TYR OH : rot -150:sc= 0.00686 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -62:sc= 1.17 USER MOD Single : A 67 SER OG : rot 121:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 12.881 5.958 11.883 1.00 0.00 N ATOM 21 CA THR A 2 12.786 6.796 10.703 1.00 0.00 C ATOM 22 C THR A 2 12.159 6.012 9.567 1.00 0.00 C ATOM 23 O THR A 2 11.324 6.522 8.824 1.00 0.00 O ATOM 24 CB THR A 2 14.171 7.318 10.288 1.00 0.00 C ATOM 25 OG1 THR A 2 15.167 6.332 10.593 1.00 0.00 O ATOM 26 CG2 THR A 2 14.498 8.617 11.005 1.00 0.00 C ATOM 0 HA THR A 2 12.157 7.655 10.937 1.00 0.00 H new ATOM 0 HB THR A 2 14.161 7.511 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.847 5.757 11.319 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.483 8.966 10.695 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.751 9.369 10.754 1.00 0.00 H new ATOM 0 HG23 THR A 2 14.496 8.449 12.082 1.00 0.00 H new ATOM 34 N HIS A 3 12.551 4.755 9.461 1.00 0.00 N ATOM 35 CA HIS A 3 11.965 3.861 8.485 1.00 0.00 C ATOM 36 C HIS A 3 11.255 2.733 9.214 1.00 0.00 C ATOM 37 O HIS A 3 11.777 2.196 10.193 1.00 0.00 O ATOM 38 CB HIS A 3 13.029 3.303 7.521 1.00 0.00 C ATOM 39 CG HIS A 3 14.000 2.334 8.144 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.208 2.712 8.690 1.00 0.00 N ATOM 41 CD2 HIS A 3 13.926 0.990 8.306 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.828 1.646 9.164 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.071 0.588 8.947 1.00 0.00 N ATOM 0 H HIS A 3 13.275 4.332 10.042 1.00 0.00 H new ATOM 0 HA HIS A 3 11.248 4.417 7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.524 2.807 6.692 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.590 4.137 7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.114 0.352 7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.793 1.642 9.648 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.299 -0.370 9.212 1.00 0.00 H new ATOM 52 N HIS A 4 10.066 2.392 8.767 1.00 0.00 N ATOM 53 CA HIS A 4 9.350 1.279 9.359 1.00 0.00 C ATOM 54 C HIS A 4 9.534 0.044 8.499 1.00 0.00 C ATOM 55 O HIS A 4 9.111 0.018 7.343 1.00 0.00 O ATOM 56 CB HIS A 4 7.856 1.590 9.504 1.00 0.00 C ATOM 57 CG HIS A 4 7.108 0.547 10.264 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.360 0.237 11.580 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.122 -0.271 9.870 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.561 -0.741 11.958 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.792 -1.074 10.937 1.00 0.00 N ATOM 0 H HIS A 4 9.578 2.862 8.005 1.00 0.00 H new ATOM 0 HA HIS A 4 9.756 1.103 10.355 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.739 2.550 10.007 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.415 1.693 8.512 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.668 -0.295 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.539 -1.194 12.938 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.077 -1.801 10.939 1.00 0.00 H new ATOM 70 N THR A 5 10.161 -0.971 9.066 1.00 0.00 N ATOM 71 CA THR A 5 10.361 -2.221 8.371 1.00 0.00 C ATOM 72 C THR A 5 9.261 -3.211 8.726 1.00 0.00 C ATOM 73 O THR A 5 9.033 -3.508 9.900 1.00 0.00 O ATOM 74 CB THR A 5 11.735 -2.813 8.719 1.00 0.00 C ATOM 75 OG1 THR A 5 12.231 -2.218 9.933 1.00 0.00 O ATOM 76 CG2 THR A 5 12.721 -2.584 7.583 1.00 0.00 C ATOM 0 H THR A 5 10.541 -0.949 10.012 1.00 0.00 H new ATOM 0 HA THR A 5 10.323 -2.027 7.299 1.00 0.00 H new ATOM 0 HB THR A 5 11.624 -3.887 8.866 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.107 -2.601 10.151 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.688 -3.011 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.350 -3.063 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.832 -1.514 7.408 1.00 0.00 H new ATOM 84 N GLU A 6 8.576 -3.706 7.710 1.00 0.00 N ATOM 85 CA GLU A 6 7.484 -4.643 7.906 1.00 0.00 C ATOM 86 C GLU A 6 7.439 -5.612 6.730 1.00 0.00 C ATOM 87 O GLU A 6 7.606 -5.199 5.583 1.00 0.00 O ATOM 88 CB GLU A 6 6.160 -3.876 8.008 1.00 0.00 C ATOM 89 CG GLU A 6 5.072 -4.607 8.776 1.00 0.00 C ATOM 90 CD GLU A 6 5.367 -4.684 10.258 1.00 0.00 C ATOM 91 OE1 GLU A 6 5.159 -3.671 10.963 1.00 0.00 O ATOM 92 OE2 GLU A 6 5.809 -5.755 10.724 1.00 0.00 O ATOM 0 H GLU A 6 8.759 -3.472 6.734 1.00 0.00 H new ATOM 0 HA GLU A 6 7.639 -5.203 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.346 -2.916 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.798 -3.663 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.119 -4.100 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.964 -5.615 8.377 1.00 0.00 H new ATOM 99 N VAL A 7 7.248 -6.891 7.002 1.00 0.00 N ATOM 100 CA VAL A 7 7.140 -7.873 5.933 1.00 0.00 C ATOM 101 C VAL A 7 5.757 -8.522 5.935 1.00 0.00 C ATOM 102 O VAL A 7 5.271 -8.992 6.970 1.00 0.00 O ATOM 103 CB VAL A 7 8.251 -8.949 6.014 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.164 -9.766 7.293 1.00 0.00 C ATOM 105 CG2 VAL A 7 8.205 -9.854 4.792 1.00 0.00 C ATOM 0 H VAL A 7 7.165 -7.273 7.944 1.00 0.00 H new ATOM 0 HA VAL A 7 7.276 -7.341 4.991 1.00 0.00 H new ATOM 0 HB VAL A 7 9.209 -8.428 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.963 -10.508 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.268 -9.106 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.199 -10.271 7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.992 -10.604 4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.235 -10.349 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.354 -9.258 3.892 1.00 0.00 H new ATOM 115 N PHE A 8 5.111 -8.513 4.778 1.00 0.00 N ATOM 116 CA PHE A 8 3.778 -9.073 4.646 1.00 0.00 C ATOM 117 C PHE A 8 3.723 -10.024 3.458 1.00 0.00 C ATOM 118 O PHE A 8 3.815 -9.594 2.312 1.00 0.00 O ATOM 119 CB PHE A 8 2.752 -7.951 4.464 1.00 0.00 C ATOM 120 CG PHE A 8 1.324 -8.395 4.605 1.00 0.00 C ATOM 121 CD1 PHE A 8 0.768 -8.591 5.859 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.536 -8.604 3.486 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.549 -8.986 5.994 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.782 -9.004 3.617 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.324 -9.194 4.871 1.00 0.00 C ATOM 0 H PHE A 8 5.492 -8.122 3.916 1.00 0.00 H new ATOM 0 HA PHE A 8 3.540 -9.628 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.952 -7.169 5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.887 -7.507 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.371 -8.433 6.741 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.954 -8.453 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.972 -9.132 6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.387 -9.167 2.737 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.353 -9.505 4.974 1.00 0.00 H new ATOM 135 N GLU A 9 3.598 -11.316 3.745 1.00 0.00 N ATOM 136 CA GLU A 9 3.458 -12.342 2.711 1.00 0.00 C ATOM 137 C GLU A 9 4.569 -12.259 1.664 1.00 0.00 C ATOM 138 O GLU A 9 4.322 -12.410 0.465 1.00 0.00 O ATOM 139 CB GLU A 9 2.091 -12.222 2.040 1.00 0.00 C ATOM 140 CG GLU A 9 0.933 -12.563 2.961 1.00 0.00 C ATOM 141 CD GLU A 9 0.990 -13.995 3.456 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.455 -14.888 2.762 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.576 -14.239 4.533 1.00 0.00 O ATOM 0 H GLU A 9 3.591 -11.683 4.697 1.00 0.00 H new ATOM 0 HA GLU A 9 3.543 -13.314 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.964 -11.204 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.062 -12.881 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.940 -11.886 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.007 -12.401 2.434 1.00 0.00 H new ATOM 150 N GLY A 10 5.790 -12.027 2.120 1.00 0.00 N ATOM 151 CA GLY A 10 6.924 -11.963 1.218 1.00 0.00 C ATOM 152 C GLY A 10 7.129 -10.579 0.630 1.00 0.00 C ATOM 153 O GLY A 10 8.181 -10.295 0.052 1.00 0.00 O ATOM 0 H GLY A 10 6.018 -11.881 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.825 -12.263 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.780 -12.679 0.409 1.00 0.00 H new ATOM 157 N GLY A 11 6.132 -9.720 0.768 1.00 0.00 N ATOM 158 CA GLY A 11 6.252 -8.363 0.284 1.00 0.00 C ATOM 159 C GLY A 11 6.763 -7.440 1.360 1.00 0.00 C ATOM 160 O GLY A 11 6.284 -7.474 2.497 1.00 0.00 O ATOM 0 H GLY A 11 5.239 -9.940 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.928 -8.338 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.281 -8.013 -0.067 1.00 0.00 H new ATOM 164 N THR A 12 7.736 -6.626 1.014 1.00 0.00 N ATOM 165 CA THR A 12 8.350 -5.729 1.972 1.00 0.00 C ATOM 166 C THR A 12 7.610 -4.398 2.024 1.00 0.00 C ATOM 167 O THR A 12 7.308 -3.801 0.992 1.00 0.00 O ATOM 168 CB THR A 12 9.830 -5.482 1.626 1.00 0.00 C ATOM 169 OG1 THR A 12 10.481 -6.735 1.368 1.00 0.00 O ATOM 170 CG2 THR A 12 10.540 -4.765 2.765 1.00 0.00 C ATOM 0 H THR A 12 8.122 -6.566 0.072 1.00 0.00 H new ATOM 0 HA THR A 12 8.291 -6.206 2.951 1.00 0.00 H new ATOM 0 HB THR A 12 9.876 -4.852 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.422 -6.575 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.584 -4.602 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.058 -3.805 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.488 -5.374 3.667 1.00 0.00 H new ATOM 178 N ILE A 13 7.300 -3.952 3.230 1.00 0.00 N ATOM 179 CA ILE A 13 6.686 -2.656 3.431 1.00 0.00 C ATOM 180 C ILE A 13 7.755 -1.644 3.821 1.00 0.00 C ATOM 181 O ILE A 13 8.434 -1.796 4.839 1.00 0.00 O ATOM 182 CB ILE A 13 5.598 -2.715 4.528 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.538 -3.761 4.165 1.00 0.00 C ATOM 184 CG2 ILE A 13 4.959 -1.347 4.718 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.493 -3.976 5.238 1.00 0.00 C ATOM 0 H ILE A 13 7.466 -4.476 4.089 1.00 0.00 H new ATOM 0 HA ILE A 13 6.210 -2.353 2.499 1.00 0.00 H new ATOM 0 HB ILE A 13 6.065 -3.007 5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.041 -3.455 3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.034 -4.710 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.196 -1.407 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.722 -0.627 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.501 -1.026 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.780 -4.730 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.977 -4.313 6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.969 -3.040 5.428 1.00 0.00 H new ATOM 197 N ASP A 14 7.903 -0.618 3.002 1.00 0.00 N ATOM 198 CA ASP A 14 8.919 0.397 3.213 1.00 0.00 C ATOM 199 C ASP A 14 8.265 1.736 3.512 1.00 0.00 C ATOM 200 O ASP A 14 7.751 2.404 2.612 1.00 0.00 O ATOM 201 CB ASP A 14 9.819 0.527 1.979 1.00 0.00 C ATOM 202 CG ASP A 14 10.683 -0.696 1.730 1.00 0.00 C ATOM 203 OD1 ASP A 14 10.222 -1.635 1.041 1.00 0.00 O ATOM 204 OD2 ASP A 14 11.840 -0.716 2.206 1.00 0.00 O ATOM 0 H ASP A 14 7.325 -0.465 2.176 1.00 0.00 H new ATOM 0 HA ASP A 14 9.532 0.096 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.197 0.707 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.462 1.399 2.098 1.00 0.00 H new ATOM 209 N ILE A 15 8.258 2.120 4.771 1.00 0.00 N ATOM 210 CA ILE A 15 7.674 3.392 5.163 1.00 0.00 C ATOM 211 C ILE A 15 8.758 4.333 5.664 1.00 0.00 C ATOM 212 O ILE A 15 9.440 4.039 6.643 1.00 0.00 O ATOM 213 CB ILE A 15 6.604 3.212 6.266 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.509 2.249 5.797 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.002 4.556 6.660 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.458 1.957 6.851 1.00 0.00 C ATOM 0 H ILE A 15 8.647 1.575 5.540 1.00 0.00 H new ATOM 0 HA ILE A 15 7.192 3.817 4.282 1.00 0.00 H new ATOM 0 HB ILE A 15 7.087 2.785 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.021 2.669 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.971 1.311 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.252 4.405 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.788 5.210 7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.535 5.015 5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.717 1.268 6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.932 1.507 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.968 2.886 7.143 1.00 0.00 H new ATOM 228 N GLU A 16 8.913 5.464 4.994 1.00 0.00 N ATOM 229 CA GLU A 16 9.919 6.442 5.379 1.00 0.00 C ATOM 230 C GLU A 16 9.262 7.632 6.036 1.00 0.00 C ATOM 231 O GLU A 16 8.306 8.202 5.492 1.00 0.00 O ATOM 232 CB GLU A 16 10.676 6.970 4.174 1.00 0.00 C ATOM 233 CG GLU A 16 12.070 7.495 4.490 1.00 0.00 C ATOM 234 CD GLU A 16 13.021 6.416 4.955 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.610 5.727 4.096 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.207 6.268 6.177 1.00 0.00 O ATOM 0 H GLU A 16 8.356 5.728 4.181 1.00 0.00 H new ATOM 0 HA GLU A 16 10.604 5.936 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.760 6.174 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.094 7.770 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.481 7.974 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.996 8.262 5.261 1.00 0.00 H new ATOM 243 N ASP A 17 9.772 7.993 7.195 1.00 0.00 N ATOM 244 CA ASP A 17 9.413 9.235 7.856 1.00 0.00 C ATOM 245 C ASP A 17 7.918 9.292 8.195 1.00 0.00 C ATOM 246 O ASP A 17 7.392 10.339 8.558 1.00 0.00 O ATOM 247 CB ASP A 17 9.831 10.422 6.967 1.00 0.00 C ATOM 248 CG ASP A 17 9.609 11.774 7.617 1.00 0.00 C ATOM 249 OD1 ASP A 17 10.318 12.098 8.594 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.739 12.530 7.133 1.00 0.00 O ATOM 0 H ASP A 17 10.451 7.432 7.709 1.00 0.00 H new ATOM 0 HA ASP A 17 9.946 9.291 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.886 10.320 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.271 10.381 6.033 1.00 0.00 H new ATOM 255 N ASP A 18 7.252 8.137 8.100 1.00 0.00 N ATOM 256 CA ASP A 18 5.792 8.029 8.274 1.00 0.00 C ATOM 257 C ASP A 18 5.030 8.785 7.177 1.00 0.00 C ATOM 258 O ASP A 18 3.815 8.640 7.045 1.00 0.00 O ATOM 259 CB ASP A 18 5.340 8.534 9.657 1.00 0.00 C ATOM 260 CG ASP A 18 5.699 7.588 10.789 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.907 6.658 11.065 1.00 0.00 O ATOM 262 OD2 ASP A 18 6.755 7.787 11.424 1.00 0.00 O ATOM 0 H ASP A 18 7.707 7.246 7.900 1.00 0.00 H new ATOM 0 HA ASP A 18 5.554 6.968 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.795 9.506 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.260 8.684 9.646 1.00 0.00 H new ATOM 267 N THR A 19 5.748 9.561 6.375 1.00 0.00 N ATOM 268 CA THR A 19 5.133 10.418 5.373 1.00 0.00 C ATOM 269 C THR A 19 5.079 9.731 4.011 1.00 0.00 C ATOM 270 O THR A 19 4.143 9.931 3.240 1.00 0.00 O ATOM 271 CB THR A 19 5.906 11.744 5.245 1.00 0.00 C ATOM 272 OG1 THR A 19 6.151 12.291 6.547 1.00 0.00 O ATOM 273 CG2 THR A 19 5.132 12.753 4.409 1.00 0.00 C ATOM 0 H THR A 19 6.766 9.613 6.401 1.00 0.00 H new ATOM 0 HA THR A 19 4.114 10.622 5.702 1.00 0.00 H new ATOM 0 HB THR A 19 6.853 11.537 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.085 12.133 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.702 13.679 4.336 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.968 12.348 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.171 12.955 4.881 1.00 0.00 H new ATOM 281 N SER A 20 6.082 8.917 3.719 1.00 0.00 N ATOM 282 CA SER A 20 6.168 8.266 2.425 1.00 0.00 C ATOM 283 C SER A 20 5.709 6.814 2.529 1.00 0.00 C ATOM 284 O SER A 20 5.868 6.177 3.574 1.00 0.00 O ATOM 285 CB SER A 20 7.604 8.338 1.898 1.00 0.00 C ATOM 286 OG SER A 20 7.656 8.056 0.510 1.00 0.00 O ATOM 0 H SER A 20 6.844 8.693 4.359 1.00 0.00 H new ATOM 0 HA SER A 20 5.512 8.784 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.014 9.331 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.229 7.628 2.440 1.00 0.00 H new ATOM 0 HG SER A 20 8.584 8.111 0.200 1.00 0.00 H new ATOM 292 N LEU A 21 5.127 6.304 1.452 1.00 0.00 N ATOM 293 CA LEU A 21 4.655 4.925 1.412 1.00 0.00 C ATOM 294 C LEU A 21 5.228 4.221 0.186 1.00 0.00 C ATOM 295 O LEU A 21 4.936 4.597 -0.952 1.00 0.00 O ATOM 296 CB LEU A 21 3.121 4.889 1.365 1.00 0.00 C ATOM 297 CG LEU A 21 2.446 3.639 1.961 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.935 2.357 1.306 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.665 3.581 3.466 1.00 0.00 C ATOM 0 H LEU A 21 4.970 6.827 0.590 1.00 0.00 H new ATOM 0 HA LEU A 21 4.990 4.411 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.743 5.765 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.809 4.983 0.325 1.00 0.00 H new ATOM 0 HG LEU A 21 1.378 3.722 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.432 1.502 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.713 2.386 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.011 2.262 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.181 2.692 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.734 3.540 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.237 4.469 3.930 1.00 0.00 H new ATOM 311 N THR A 22 6.040 3.205 0.424 1.00 0.00 N ATOM 312 CA THR A 22 6.594 2.397 -0.645 1.00 0.00 C ATOM 313 C THR A 22 6.499 0.915 -0.298 1.00 0.00 C ATOM 314 O THR A 22 6.723 0.522 0.840 1.00 0.00 O ATOM 315 CB THR A 22 8.062 2.779 -0.928 1.00 0.00 C ATOM 316 OG1 THR A 22 8.670 3.336 0.250 1.00 0.00 O ATOM 317 CG2 THR A 22 8.157 3.780 -2.071 1.00 0.00 C ATOM 0 H THR A 22 6.332 2.919 1.359 1.00 0.00 H new ATOM 0 HA THR A 22 6.010 2.589 -1.545 1.00 0.00 H new ATOM 0 HB THR A 22 8.593 1.871 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.360 2.846 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.203 4.031 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.730 3.343 -2.974 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.606 4.684 -1.810 1.00 0.00 H new ATOM 325 N ILE A 23 6.123 0.100 -1.266 1.00 0.00 N ATOM 326 CA ILE A 23 6.073 -1.339 -1.058 1.00 0.00 C ATOM 327 C ILE A 23 7.111 -2.014 -1.937 1.00 0.00 C ATOM 328 O ILE A 23 7.028 -1.946 -3.167 1.00 0.00 O ATOM 329 CB ILE A 23 4.668 -1.919 -1.344 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.638 -1.292 -0.398 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.677 -3.436 -1.200 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.219 -1.763 -0.636 1.00 0.00 C ATOM 0 H ILE A 23 5.849 0.405 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 23 6.293 -1.535 -0.009 1.00 0.00 H new ATOM 0 HB ILE A 23 4.391 -1.677 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.918 -1.520 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.673 -0.208 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.680 -3.827 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.387 -3.864 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.970 -3.703 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.550 -1.275 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.918 -1.511 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.166 -2.843 -0.499 1.00 0.00 H new ATOM 344 N ASN A 24 8.112 -2.620 -1.289 1.00 0.00 N ATOM 345 CA ASN A 24 9.269 -3.225 -1.960 1.00 0.00 C ATOM 346 C ASN A 24 10.193 -2.155 -2.546 1.00 0.00 C ATOM 347 O ASN A 24 11.415 -2.307 -2.561 1.00 0.00 O ATOM 348 CB ASN A 24 8.827 -4.214 -3.048 1.00 0.00 C ATOM 349 CG ASN A 24 9.996 -4.874 -3.752 1.00 0.00 C ATOM 350 OD1 ASN A 24 10.497 -4.369 -4.761 1.00 0.00 O ATOM 351 ND2 ASN A 24 10.438 -6.006 -3.227 1.00 0.00 N ATOM 0 H ASN A 24 8.142 -2.705 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 24 9.829 -3.779 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.198 -4.983 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.215 -3.690 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.222 -6.496 -3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.994 -6.388 -2.392 1.00 0.00 H new ATOM 358 N GLY A 25 9.593 -1.071 -2.996 1.00 0.00 N ATOM 359 CA GLY A 25 10.326 0.012 -3.618 1.00 0.00 C ATOM 360 C GLY A 25 9.418 0.866 -4.479 1.00 0.00 C ATOM 361 O GLY A 25 9.733 2.016 -4.783 1.00 0.00 O ATOM 0 H GLY A 25 8.586 -0.917 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.789 0.630 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.133 -0.395 -4.228 1.00 0.00 H new ATOM 365 N LYS A 26 8.280 0.296 -4.862 1.00 0.00 N ATOM 366 CA LYS A 26 7.301 0.999 -5.678 1.00 0.00 C ATOM 367 C LYS A 26 6.481 1.944 -4.794 1.00 0.00 C ATOM 368 O LYS A 26 5.990 1.541 -3.735 1.00 0.00 O ATOM 369 CB LYS A 26 6.398 -0.029 -6.383 1.00 0.00 C ATOM 370 CG LYS A 26 5.672 0.502 -7.613 1.00 0.00 C ATOM 371 CD LYS A 26 4.504 1.397 -7.245 1.00 0.00 C ATOM 372 CE LYS A 26 3.936 2.105 -8.462 1.00 0.00 C ATOM 373 NZ LYS A 26 2.892 3.092 -8.082 1.00 0.00 N ATOM 0 H LYS A 26 8.013 -0.658 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 26 7.804 1.597 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.005 -0.885 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.658 -0.393 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.373 1.059 -8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.312 -0.336 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.723 0.801 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.828 2.136 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.739 2.612 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.511 1.370 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.696 3.718 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.022 2.590 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.227 3.659 -7.277 1.00 0.00 H new ATOM 387 N GLU A 27 6.342 3.196 -5.228 1.00 0.00 N ATOM 388 CA GLU A 27 5.647 4.214 -4.442 1.00 0.00 C ATOM 389 C GLU A 27 4.137 4.024 -4.522 1.00 0.00 C ATOM 390 O GLU A 27 3.581 3.807 -5.599 1.00 0.00 O ATOM 391 CB GLU A 27 6.032 5.632 -4.899 1.00 0.00 C ATOM 392 CG GLU A 27 5.674 5.960 -6.344 1.00 0.00 C ATOM 393 CD GLU A 27 6.628 5.350 -7.354 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.631 6.002 -7.693 1.00 0.00 O ATOM 395 OE2 GLU A 27 6.377 4.217 -7.815 1.00 0.00 O ATOM 0 H GLU A 27 6.702 3.530 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 27 5.957 4.096 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.542 6.354 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.106 5.761 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.664 5.606 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.665 7.042 -6.472 1.00 0.00 H new ATOM 402 N ILE A 28 3.473 4.111 -3.383 1.00 0.00 N ATOM 403 CA ILE A 28 2.044 3.854 -3.319 1.00 0.00 C ATOM 404 C ILE A 28 1.247 5.151 -3.262 1.00 0.00 C ATOM 405 O ILE A 28 1.455 5.985 -2.379 1.00 0.00 O ATOM 406 CB ILE A 28 1.691 2.972 -2.102 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.418 1.624 -2.196 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.187 2.765 -2.008 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.104 0.845 -3.458 1.00 0.00 C ATOM 0 H ILE A 28 3.900 4.357 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 28 1.774 3.321 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 28 2.020 3.482 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.493 1.797 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.152 1.017 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.041 2.141 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.307 3.730 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.170 2.275 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.655 -0.095 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.035 0.639 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.396 1.431 -4.329 1.00 0.00 H new ATOM 421 N SER A 29 0.341 5.316 -4.217 1.00 0.00 N ATOM 422 CA SER A 29 -0.559 6.456 -4.232 1.00 0.00 C ATOM 423 C SER A 29 -1.633 6.283 -3.163 1.00 0.00 C ATOM 424 O SER A 29 -2.049 5.162 -2.869 1.00 0.00 O ATOM 425 CB SER A 29 -1.187 6.600 -5.623 1.00 0.00 C ATOM 426 OG SER A 29 -1.669 5.352 -6.091 1.00 0.00 O ATOM 0 H SER A 29 0.212 4.669 -4.995 1.00 0.00 H new ATOM 0 HA SER A 29 -0.000 7.365 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.005 7.319 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.448 6.994 -6.321 1.00 0.00 H new ATOM 0 HG SER A 29 -2.589 5.220 -5.782 1.00 0.00 H new ATOM 432 N TYR A 30 -2.071 7.390 -2.579 1.00 0.00 N ATOM 433 CA TYR A 30 -3.028 7.363 -1.480 1.00 0.00 C ATOM 434 C TYR A 30 -3.427 8.788 -1.146 1.00 0.00 C ATOM 435 O TYR A 30 -3.003 9.732 -1.818 1.00 0.00 O ATOM 436 CB TYR A 30 -2.386 6.700 -0.250 1.00 0.00 C ATOM 437 CG TYR A 30 -3.334 6.317 0.873 1.00 0.00 C ATOM 438 CD1 TYR A 30 -4.479 5.570 0.628 1.00 0.00 C ATOM 439 CD2 TYR A 30 -3.059 6.679 2.185 1.00 0.00 C ATOM 440 CE1 TYR A 30 -5.323 5.200 1.659 1.00 0.00 C ATOM 441 CE2 TYR A 30 -3.899 6.316 3.221 1.00 0.00 C ATOM 442 CZ TYR A 30 -5.029 5.575 2.953 1.00 0.00 C ATOM 443 OH TYR A 30 -5.864 5.207 3.983 1.00 0.00 O ATOM 0 H TYR A 30 -1.775 8.327 -2.851 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.909 6.791 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.862 5.802 -0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.634 7.379 0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.714 5.273 -0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.171 7.255 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.210 4.619 1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.671 6.612 4.234 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.511 5.551 4.830 1.00 0.00 H new ATOM 618 N SER A 41 -6.140 4.789 -2.801 1.00 0.00 N ATOM 619 CA SER A 41 -4.918 4.387 -3.453 1.00 0.00 C ATOM 620 C SER A 41 -5.170 4.020 -4.913 1.00 0.00 C ATOM 621 O SER A 41 -4.252 4.033 -5.734 1.00 0.00 O ATOM 622 CB SER A 41 -4.349 3.192 -2.703 1.00 0.00 C ATOM 623 OG SER A 41 -4.779 3.199 -1.353 1.00 0.00 O ATOM 0 HA SER A 41 -4.210 5.216 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.666 2.268 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.260 3.215 -2.743 1.00 0.00 H new ATOM 0 HG SER A 41 -5.593 3.739 -1.272 1.00 0.00 H new ATOM 629 N ARG A 42 -6.427 3.701 -5.217 1.00 0.00 N ATOM 630 CA ARG A 42 -6.834 3.216 -6.537 1.00 0.00 C ATOM 631 C ARG A 42 -6.163 1.878 -6.843 1.00 0.00 C ATOM 632 O ARG A 42 -5.969 1.500 -7.995 1.00 0.00 O ATOM 633 CB ARG A 42 -6.529 4.242 -7.632 1.00 0.00 C ATOM 634 CG ARG A 42 -7.274 3.955 -8.922 1.00 0.00 C ATOM 635 CD ARG A 42 -7.148 5.092 -9.919 1.00 0.00 C ATOM 636 NE ARG A 42 -5.795 5.199 -10.472 1.00 0.00 N ATOM 637 CZ ARG A 42 -5.260 6.333 -10.917 1.00 0.00 C ATOM 638 NH1 ARG A 42 -5.940 7.470 -10.838 1.00 0.00 N ATOM 639 NH2 ARG A 42 -4.044 6.327 -11.455 1.00 0.00 N ATOM 0 H ARG A 42 -7.197 3.772 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.914 3.068 -6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.795 5.238 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.457 4.250 -7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.887 3.038 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.327 3.782 -8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.859 4.941 -10.731 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.415 6.030 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.229 4.352 -10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.877 7.477 -10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.526 8.337 -11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.522 5.453 -11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.633 7.196 -11.796 1.00 0.00 H new ATOM 653 N TYR A 43 -5.821 1.164 -5.789 1.00 0.00 N ATOM 654 CA TYR A 43 -5.281 -0.185 -5.908 1.00 0.00 C ATOM 655 C TYR A 43 -6.379 -1.186 -5.592 1.00 0.00 C ATOM 656 O TYR A 43 -6.697 -2.061 -6.398 1.00 0.00 O ATOM 657 CB TYR A 43 -4.092 -0.387 -4.961 1.00 0.00 C ATOM 658 CG TYR A 43 -2.782 0.141 -5.499 1.00 0.00 C ATOM 659 CD1 TYR A 43 -2.473 1.495 -5.451 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.850 -0.722 -6.058 1.00 0.00 C ATOM 661 CE1 TYR A 43 -1.274 1.972 -5.948 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.651 -0.254 -6.553 1.00 0.00 C ATOM 663 CZ TYR A 43 -0.367 1.092 -6.499 1.00 0.00 C ATOM 664 OH TYR A 43 0.829 1.554 -6.999 1.00 0.00 O ATOM 0 H TYR A 43 -5.907 1.496 -4.828 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.924 -0.336 -6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -4.308 0.105 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.984 -1.451 -4.751 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.181 2.186 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.068 -1.779 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.049 3.028 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.063 -0.941 -6.982 1.00 0.00 H new ATOM 0 HH TYR A 43 1.350 0.801 -7.349 1.00 0.00 H new ATOM 674 N LEU A 44 -6.947 -1.037 -4.409 1.00 0.00 N ATOM 675 CA LEU A 44 -8.116 -1.796 -4.008 1.00 0.00 C ATOM 676 C LEU A 44 -9.340 -0.895 -4.074 1.00 0.00 C ATOM 677 O LEU A 44 -9.206 0.330 -4.080 1.00 0.00 O ATOM 678 CB LEU A 44 -7.948 -2.358 -2.587 1.00 0.00 C ATOM 679 CG LEU A 44 -7.045 -3.590 -2.459 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.580 -3.219 -2.630 1.00 0.00 C ATOM 681 CD2 LEU A 44 -7.274 -4.278 -1.123 1.00 0.00 C ATOM 0 H LEU A 44 -6.610 -0.386 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.240 -2.639 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.547 -1.570 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.934 -2.612 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.306 -4.285 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.965 -4.113 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.429 -2.779 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.295 -2.499 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.626 -5.151 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.046 -3.585 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.315 -4.592 -1.049 1.00 0.00 H new ATOM 693 N PRO A 45 -10.537 -1.489 -4.166 1.00 0.00 N ATOM 694 CA PRO A 45 -11.807 -0.749 -4.183 1.00 0.00 C ATOM 695 C PRO A 45 -12.028 0.102 -2.929 1.00 0.00 C ATOM 696 O PRO A 45 -11.101 0.374 -2.157 1.00 0.00 O ATOM 697 CB PRO A 45 -12.869 -1.852 -4.260 1.00 0.00 C ATOM 698 CG PRO A 45 -12.157 -3.049 -4.785 1.00 0.00 C ATOM 699 CD PRO A 45 -10.742 -2.940 -4.298 1.00 0.00 C ATOM 0 HA PRO A 45 -11.836 -0.041 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.301 -2.051 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.689 -1.563 -4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.622 -3.967 -4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.193 -3.077 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.604 -3.453 -3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.039 -3.382 -5.004 1.00 0.00 H new ATOM 707 N TYR A 46 -13.274 0.511 -2.726 1.00 0.00 N ATOM 708 CA TYR A 46 -13.649 1.368 -1.599 1.00 0.00 C ATOM 709 C TYR A 46 -13.662 0.593 -0.274 1.00 0.00 C ATOM 710 O TYR A 46 -14.416 0.923 0.643 1.00 0.00 O ATOM 711 CB TYR A 46 -15.027 1.998 -1.862 1.00 0.00 C ATOM 712 CG TYR A 46 -16.172 1.003 -1.933 1.00 0.00 C ATOM 713 CD1 TYR A 46 -16.320 0.149 -3.021 1.00 0.00 C ATOM 714 CD2 TYR A 46 -17.110 0.925 -0.911 1.00 0.00 C ATOM 715 CE1 TYR A 46 -17.364 -0.753 -3.084 1.00 0.00 C ATOM 716 CE2 TYR A 46 -18.155 0.025 -0.966 1.00 0.00 C ATOM 717 CZ TYR A 46 -18.277 -0.811 -2.053 1.00 0.00 C ATOM 718 OH TYR A 46 -19.324 -1.704 -2.112 1.00 0.00 O ATOM 0 H TYR A 46 -14.054 0.261 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 46 -12.899 2.154 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -15.239 2.720 -1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.986 2.553 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -15.606 0.192 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -17.020 1.581 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -17.464 -1.409 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -18.873 -0.023 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 46 -19.874 -1.617 -1.306 1.00 0.00 H new ATOM 728 N THR A 47 -12.807 -0.419 -0.175 1.00 0.00 N ATOM 729 CA THR A 47 -12.694 -1.225 1.027 1.00 0.00 C ATOM 730 C THR A 47 -12.225 -0.379 2.205 1.00 0.00 C ATOM 731 O THR A 47 -11.574 0.651 2.023 1.00 0.00 O ATOM 732 CB THR A 47 -11.724 -2.399 0.806 1.00 0.00 C ATOM 733 OG1 THR A 47 -10.527 -1.927 0.174 1.00 0.00 O ATOM 734 CG2 THR A 47 -12.370 -3.472 -0.056 1.00 0.00 C ATOM 0 H THR A 47 -12.176 -0.700 -0.925 1.00 0.00 H new ATOM 0 HA THR A 47 -13.682 -1.624 1.255 1.00 0.00 H new ATOM 0 HB THR A 47 -11.477 -2.832 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.134 -1.209 0.713 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.668 -4.294 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.268 -3.844 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.638 -3.049 -1.024 1.00 0.00 H new ATOM 742 N GLN A 48 -12.552 -0.819 3.405 1.00 0.00 N ATOM 743 CA GLN A 48 -12.292 -0.039 4.603 1.00 0.00 C ATOM 744 C GLN A 48 -10.820 -0.094 5.006 1.00 0.00 C ATOM 745 O GLN A 48 -10.375 -1.053 5.638 1.00 0.00 O ATOM 746 CB GLN A 48 -13.170 -0.529 5.763 1.00 0.00 C ATOM 747 CG GLN A 48 -14.667 -0.342 5.541 1.00 0.00 C ATOM 748 CD GLN A 48 -15.238 -1.256 4.467 1.00 0.00 C ATOM 749 OE1 GLN A 48 -14.759 -2.376 4.260 1.00 0.00 O ATOM 750 NE2 GLN A 48 -16.250 -0.777 3.768 1.00 0.00 N ATOM 0 H GLN A 48 -13.001 -1.718 3.578 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.540 0.998 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.969 -1.587 5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.881 0.000 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.191 -0.524 6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.859 0.695 5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.615 0.153 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.667 -1.337 3.024 1.00 0.00 H new ATOM 759 N TYR A 49 -10.067 0.926 4.621 1.00 0.00 N ATOM 760 CA TYR A 49 -8.689 1.080 5.069 1.00 0.00 C ATOM 761 C TYR A 49 -8.409 2.536 5.432 1.00 0.00 C ATOM 762 O TYR A 49 -8.869 3.452 4.749 1.00 0.00 O ATOM 763 CB TYR A 49 -7.689 0.574 4.014 1.00 0.00 C ATOM 764 CG TYR A 49 -7.933 1.054 2.590 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.652 2.364 2.208 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.422 0.185 1.624 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.861 2.790 0.907 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.628 0.603 0.321 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.345 1.905 -0.032 1.00 0.00 C ATOM 770 OH TYR A 49 -8.545 2.322 -1.332 1.00 0.00 O ATOM 0 H TYR A 49 -10.389 1.664 3.995 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.556 0.467 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.687 0.879 4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.705 -0.516 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.265 3.059 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.646 -0.836 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.646 3.811 0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.009 -0.088 -0.416 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.280 1.811 -1.730 1.00 0.00 H new ATOM 780 N ASP A 50 -7.698 2.749 6.535 1.00 0.00 N ATOM 781 CA ASP A 50 -7.349 4.104 6.959 1.00 0.00 C ATOM 782 C ASP A 50 -5.991 4.136 7.666 1.00 0.00 C ATOM 783 O ASP A 50 -5.544 5.179 8.140 1.00 0.00 O ATOM 784 CB ASP A 50 -8.440 4.669 7.877 1.00 0.00 C ATOM 785 CG ASP A 50 -8.292 6.162 8.112 1.00 0.00 C ATOM 786 OD1 ASP A 50 -8.166 6.914 7.120 1.00 0.00 O ATOM 787 OD2 ASP A 50 -8.302 6.593 9.283 1.00 0.00 O ATOM 0 H ASP A 50 -7.354 2.009 7.148 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.276 4.726 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.418 4.469 7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.408 4.150 8.835 1.00 0.00 H new ATOM 792 N SER A 51 -5.321 2.998 7.720 1.00 0.00 N ATOM 793 CA SER A 51 -4.011 2.931 8.339 1.00 0.00 C ATOM 794 C SER A 51 -2.952 2.665 7.280 1.00 0.00 C ATOM 795 O SER A 51 -3.179 1.881 6.360 1.00 0.00 O ATOM 796 CB SER A 51 -3.989 1.846 9.416 1.00 0.00 C ATOM 797 OG SER A 51 -4.931 2.126 10.443 1.00 0.00 O ATOM 0 H SER A 51 -5.661 2.113 7.345 1.00 0.00 H new ATOM 0 HA SER A 51 -3.792 3.886 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.213 0.878 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.989 1.775 9.845 1.00 0.00 H new ATOM 0 HG SER A 51 -4.899 1.417 11.119 1.00 0.00 H new ATOM 803 N LEU A 52 -1.805 3.321 7.407 1.00 0.00 N ATOM 804 CA LEU A 52 -0.738 3.199 6.419 1.00 0.00 C ATOM 805 C LEU A 52 -0.214 1.771 6.361 1.00 0.00 C ATOM 806 O LEU A 52 0.031 1.234 5.279 1.00 0.00 O ATOM 807 CB LEU A 52 0.411 4.174 6.725 1.00 0.00 C ATOM 808 CG LEU A 52 0.169 5.643 6.336 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.261 5.748 4.881 1.00 0.00 C ATOM 810 CD2 LEU A 52 -0.866 6.291 7.246 1.00 0.00 C ATOM 0 H LEU A 52 -1.589 3.944 8.185 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.157 3.455 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.623 4.132 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.305 3.824 6.209 1.00 0.00 H new ATOM 0 HG LEU A 52 1.109 6.180 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.427 6.794 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.520 5.337 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.184 5.187 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.015 7.328 6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.809 5.751 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.515 6.258 8.277 1.00 0.00 H new ATOM 822 N LEU A 53 -0.061 1.152 7.524 1.00 0.00 N ATOM 823 CA LEU A 53 0.397 -0.228 7.591 1.00 0.00 C ATOM 824 C LEU A 53 -0.686 -1.151 7.033 1.00 0.00 C ATOM 825 O LEU A 53 -0.397 -2.095 6.298 1.00 0.00 O ATOM 826 CB LEU A 53 0.741 -0.588 9.045 1.00 0.00 C ATOM 827 CG LEU A 53 1.717 -1.761 9.251 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.044 -3.100 8.981 1.00 0.00 C ATOM 829 CD2 LEU A 53 2.944 -1.592 8.364 1.00 0.00 C ATOM 0 H LEU A 53 -0.247 1.582 8.430 1.00 0.00 H new ATOM 0 HA LEU A 53 1.297 -0.352 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.163 0.295 9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.187 -0.821 9.567 1.00 0.00 H new ATOM 0 HG LEU A 53 2.033 -1.753 10.294 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.762 -3.906 9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.202 -3.228 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.686 -3.126 7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.624 -2.429 8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.636 -1.566 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.450 -0.660 8.617 1.00 0.00 H new ATOM 841 N ASP A 54 -1.935 -0.844 7.368 1.00 0.00 N ATOM 842 CA ASP A 54 -3.082 -1.623 6.902 1.00 0.00 C ATOM 843 C ASP A 54 -3.195 -1.567 5.380 1.00 0.00 C ATOM 844 O ASP A 54 -3.365 -2.593 4.722 1.00 0.00 O ATOM 845 CB ASP A 54 -4.374 -1.097 7.533 1.00 0.00 C ATOM 846 CG ASP A 54 -5.596 -1.880 7.097 1.00 0.00 C ATOM 847 OD1 ASP A 54 -5.567 -3.124 7.178 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.590 -1.250 6.675 1.00 0.00 O ATOM 0 H ASP A 54 -2.182 -0.055 7.965 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.930 -2.659 7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.288 -1.140 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.504 -0.048 7.265 1.00 0.00 H new ATOM 853 N LEU A 55 -3.083 -0.359 4.838 1.00 0.00 N ATOM 854 CA LEU A 55 -3.169 -0.133 3.400 1.00 0.00 C ATOM 855 C LEU A 55 -2.081 -0.921 2.674 1.00 0.00 C ATOM 856 O LEU A 55 -2.339 -1.554 1.648 1.00 0.00 O ATOM 857 CB LEU A 55 -3.054 1.377 3.115 1.00 0.00 C ATOM 858 CG LEU A 55 -3.298 1.835 1.668 1.00 0.00 C ATOM 859 CD1 LEU A 55 -2.039 1.699 0.829 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.443 1.051 1.044 1.00 0.00 C ATOM 0 H LEU A 55 -2.930 0.490 5.382 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.132 -0.485 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.762 1.898 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.056 1.702 3.410 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.573 2.890 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.243 2.030 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.247 2.313 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.722 0.656 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.600 1.390 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.198 -0.011 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.352 1.212 1.623 1.00 0.00 H new ATOM 872 N ALA A 56 -0.874 -0.892 3.225 1.00 0.00 N ATOM 873 CA ALA A 56 0.246 -1.618 2.651 1.00 0.00 C ATOM 874 C ALA A 56 -0.039 -3.115 2.598 1.00 0.00 C ATOM 875 O ALA A 56 0.258 -3.778 1.604 1.00 0.00 O ATOM 876 CB ALA A 56 1.515 -1.344 3.444 1.00 0.00 C ATOM 0 H ALA A 56 -0.648 -0.371 4.072 1.00 0.00 H new ATOM 0 HA ALA A 56 0.389 -1.268 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.346 -1.894 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.734 -0.277 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.375 -1.664 4.476 1.00 0.00 H new ATOM 882 N ARG A 57 -0.634 -3.643 3.665 1.00 0.00 N ATOM 883 CA ARG A 57 -0.981 -5.062 3.722 1.00 0.00 C ATOM 884 C ARG A 57 -2.047 -5.394 2.697 1.00 0.00 C ATOM 885 O ARG A 57 -1.945 -6.392 1.992 1.00 0.00 O ATOM 886 CB ARG A 57 -1.506 -5.458 5.103 1.00 0.00 C ATOM 887 CG ARG A 57 -0.575 -5.131 6.244 1.00 0.00 C ATOM 888 CD ARG A 57 -1.172 -5.590 7.559 1.00 0.00 C ATOM 889 NE ARG A 57 -2.512 -5.043 7.779 1.00 0.00 N ATOM 890 CZ ARG A 57 -3.151 -5.090 8.946 1.00 0.00 C ATOM 891 NH1 ARG A 57 -2.562 -5.635 10.004 1.00 0.00 N ATOM 892 NH2 ARG A 57 -4.379 -4.591 9.059 1.00 0.00 N ATOM 0 H ARG A 57 -0.885 -3.113 4.499 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.068 -5.618 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.459 -4.956 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.705 -6.530 5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.389 -5.615 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.391 -4.057 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.219 -6.679 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.519 -5.288 8.378 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.984 -4.599 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.620 -6.018 9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.052 -5.671 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.835 -4.170 8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.865 -4.629 9.955 1.00 0.00 H new ATOM 906 N ALA A 58 -3.070 -4.550 2.624 1.00 0.00 N ATOM 907 CA ALA A 58 -4.199 -4.784 1.737 1.00 0.00 C ATOM 908 C ALA A 58 -3.737 -4.919 0.295 1.00 0.00 C ATOM 909 O ALA A 58 -4.233 -5.768 -0.448 1.00 0.00 O ATOM 910 CB ALA A 58 -5.217 -3.663 1.870 1.00 0.00 C ATOM 0 H ALA A 58 -3.139 -3.693 3.173 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.674 -5.721 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.056 -3.852 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.576 -3.618 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.750 -2.714 1.607 1.00 0.00 H new ATOM 916 N ILE A 59 -2.770 -4.098 -0.090 1.00 0.00 N ATOM 917 CA ILE A 59 -2.225 -4.159 -1.436 1.00 0.00 C ATOM 918 C ILE A 59 -1.483 -5.474 -1.659 1.00 0.00 C ATOM 919 O ILE A 59 -1.754 -6.181 -2.626 1.00 0.00 O ATOM 920 CB ILE A 59 -1.281 -2.975 -1.721 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.058 -1.661 -1.640 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.621 -3.127 -3.086 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.210 -0.441 -1.917 1.00 0.00 C ATOM 0 H ILE A 59 -2.350 -3.386 0.508 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.066 -4.100 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.493 -2.965 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.882 -1.691 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.499 -1.569 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.041 -2.280 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.043 -4.051 -3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.388 -3.159 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.826 0.455 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.401 -0.387 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.790 -0.510 -2.920 1.00 0.00 H new ATOM 935 N ILE A 60 -0.585 -5.821 -0.742 1.00 0.00 N ATOM 936 CA ILE A 60 0.192 -7.053 -0.868 1.00 0.00 C ATOM 937 C ILE A 60 -0.727 -8.276 -0.824 1.00 0.00 C ATOM 938 O ILE A 60 -0.522 -9.259 -1.540 1.00 0.00 O ATOM 939 CB ILE A 60 1.272 -7.171 0.231 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.193 -5.952 0.191 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.083 -8.447 0.044 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.205 -5.908 1.313 1.00 0.00 C ATOM 0 H ILE A 60 -0.377 -5.272 0.092 1.00 0.00 H new ATOM 0 HA ILE A 60 0.698 -7.015 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 60 0.779 -7.212 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.722 -5.940 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.584 -5.048 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.839 -8.515 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.421 -9.311 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.570 -8.429 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.820 -5.013 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.685 -5.887 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.841 -6.792 1.265 1.00 0.00 H new ATOM 954 N ARG A 61 -1.738 -8.199 0.025 1.00 0.00 N ATOM 955 CA ARG A 61 -2.710 -9.268 0.192 1.00 0.00 C ATOM 956 C ARG A 61 -3.504 -9.519 -1.093 1.00 0.00 C ATOM 957 O ARG A 61 -3.804 -10.667 -1.427 1.00 0.00 O ATOM 958 CB ARG A 61 -3.654 -8.900 1.341 1.00 0.00 C ATOM 959 CG ARG A 61 -4.771 -9.897 1.594 1.00 0.00 C ATOM 960 CD ARG A 61 -5.611 -9.475 2.788 1.00 0.00 C ATOM 961 NE ARG A 61 -6.831 -10.269 2.917 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.715 -10.108 3.902 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.472 -9.243 4.881 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.832 -10.826 3.933 1.00 0.00 N ATOM 0 H ARG A 61 -1.909 -7.389 0.621 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.179 -10.191 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.068 -8.794 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.096 -7.926 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.402 -9.975 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.348 -10.886 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.019 -9.572 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.874 -8.422 2.690 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.016 -10.986 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.608 -8.701 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.149 -9.121 5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.020 -11.508 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.502 -10.695 4.691 1.00 0.00 H new ATOM 978 N ASP A 62 -3.832 -8.456 -1.820 1.00 0.00 N ATOM 979 CA ASP A 62 -4.703 -8.592 -2.985 1.00 0.00 C ATOM 980 C ASP A 62 -3.915 -8.710 -4.284 1.00 0.00 C ATOM 981 O ASP A 62 -4.390 -9.303 -5.256 1.00 0.00 O ATOM 982 CB ASP A 62 -5.687 -7.423 -3.069 1.00 0.00 C ATOM 983 CG ASP A 62 -6.797 -7.679 -4.069 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.638 -8.570 -3.816 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.840 -7.001 -5.118 1.00 0.00 O ATOM 0 H ASP A 62 -3.515 -7.505 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.262 -9.519 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.121 -7.244 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.149 -6.517 -3.350 1.00 0.00 H new ATOM 990 N THR A 63 -2.712 -8.173 -4.296 1.00 0.00 N ATOM 991 CA THR A 63 -1.867 -8.243 -5.484 1.00 0.00 C ATOM 992 C THR A 63 -0.599 -9.042 -5.201 1.00 0.00 C ATOM 993 O THR A 63 0.215 -8.669 -4.359 1.00 0.00 O ATOM 994 CB THR A 63 -1.497 -6.844 -6.034 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.823 -6.064 -5.040 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.738 -6.101 -6.509 1.00 0.00 C ATOM 0 H THR A 63 -2.294 -7.685 -3.504 1.00 0.00 H new ATOM 0 HA THR A 63 -2.452 -8.752 -6.250 1.00 0.00 H new ATOM 0 HB THR A 63 -0.827 -6.992 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.418 -5.925 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.452 -5.121 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.223 -6.672 -7.301 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.430 -5.978 -5.676 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.431 -10.141 -5.925 1.00 0.00 N ATOM 1005 CA VAL A 64 0.679 -11.059 -5.684 1.00 0.00 C ATOM 1006 C VAL A 64 1.967 -10.563 -6.326 1.00 0.00 C ATOM 1007 O VAL A 64 3.039 -11.137 -6.117 1.00 0.00 O ATOM 1008 CB VAL A 64 0.367 -12.469 -6.214 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.761 -13.102 -5.417 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.020 -12.426 -7.697 1.00 0.00 C ATOM 0 H VAL A 64 -1.050 -10.420 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 64 0.814 -11.103 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 64 1.259 -13.083 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.967 -14.099 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.470 -13.175 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.657 -12.487 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.197 -13.434 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.855 -11.793 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.863 -12.020 -8.256 1.00 0.00 H new ATOM 1020 N GLU A 65 1.849 -9.498 -7.104 1.00 0.00 N ATOM 1021 CA GLU A 65 2.983 -8.921 -7.820 1.00 0.00 C ATOM 1022 C GLU A 65 4.052 -8.417 -6.856 1.00 0.00 C ATOM 1023 O GLU A 65 5.243 -8.457 -7.159 1.00 0.00 O ATOM 1024 CB GLU A 65 2.517 -7.774 -8.719 1.00 0.00 C ATOM 1025 CG GLU A 65 1.472 -8.189 -9.738 1.00 0.00 C ATOM 1026 CD GLU A 65 1.057 -7.045 -10.637 1.00 0.00 C ATOM 1027 OE1 GLU A 65 0.282 -6.180 -10.182 1.00 0.00 O ATOM 1028 OE2 GLU A 65 1.513 -7.000 -11.799 1.00 0.00 O ATOM 0 H GLU A 65 0.968 -9.008 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 65 3.420 -9.708 -8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.109 -6.978 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.379 -7.360 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.866 -9.002 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.595 -8.576 -9.218 1.00 0.00 H new ATOM 1035 N PHE A 66 3.626 -7.966 -5.682 1.00 0.00 N ATOM 1036 CA PHE A 66 4.554 -7.425 -4.696 1.00 0.00 C ATOM 1037 C PHE A 66 5.172 -8.538 -3.854 1.00 0.00 C ATOM 1038 O PHE A 66 5.952 -8.278 -2.940 1.00 0.00 O ATOM 1039 CB PHE A 66 3.848 -6.405 -3.799 1.00 0.00 C ATOM 1040 CG PHE A 66 3.470 -5.142 -4.517 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.399 -4.130 -4.697 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.188 -4.964 -5.008 1.00 0.00 C ATOM 1043 CE1 PHE A 66 4.054 -2.964 -5.353 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.839 -3.802 -5.666 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.773 -2.800 -5.839 1.00 0.00 C ATOM 0 H PHE A 66 2.649 -7.964 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 66 5.358 -6.921 -5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.950 -6.860 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.499 -6.157 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.404 -4.254 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.452 -5.743 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.786 -2.181 -5.485 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.836 -3.677 -6.045 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.502 -1.890 -6.353 1.00 0.00 H new ATOM 1055 N SER A 67 4.837 -9.775 -4.181 1.00 0.00 N ATOM 1056 CA SER A 67 5.384 -10.921 -3.479 1.00 0.00 C ATOM 1057 C SER A 67 6.277 -11.729 -4.420 1.00 0.00 C ATOM 1058 O SER A 67 5.987 -11.845 -5.612 1.00 0.00 O ATOM 1059 CB SER A 67 4.248 -11.794 -2.933 1.00 0.00 C ATOM 1060 OG SER A 67 4.749 -12.844 -2.126 1.00 0.00 O ATOM 0 H SER A 67 4.187 -10.010 -4.931 1.00 0.00 H new ATOM 0 HA SER A 67 5.986 -10.573 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.562 -11.179 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.676 -12.211 -3.762 1.00 0.00 H new ATOM 0 HG SER A 67 4.373 -12.772 -1.224 1.00 0.00 H new