USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 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 29 SER OG : rot 180:sc= -0.597 USER MOD Set 1.2: A 52 MET CE :methyl 172:sc= -4.55! (180deg=-4.95!) USER MOD Set 2.1: A 24 ASN : amide:sc= -4.14! C(o=-3.2!,f=-16!) USER MOD Set 2.2: A 26 SER OG : rot -64:sc= 0.975 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 68:sc= 1.08 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 8 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ -121:sc=-9.35e-05 (180deg=-0.351) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0715 X(o=-0.071,f=-0.0035) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= -0.76 (180deg=-0.76) USER MOD Single : A 38 SER OG : rot 48:sc= -0.227 USER MOD Single : A 42 SER OG : rot 66:sc= 1.13 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.4!) USER MOD Single : A 61 HIS : no HE2:sc= -12.4! C(o=-12!,f=-14!) USER MOD Single : A 62 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.00018) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0405 USER MOD Single : A 72 MET CE :methyl -131:sc= -1.65 (180deg=-5.86!) USER MOD Single : A 73 SER OG : rot -106:sc= 0.0512 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.090 -0.645 -18.168 1.00 0.00 N ATOM 2 CA SER A 1 -14.790 -0.815 -17.458 1.00 0.00 C ATOM 3 C SER A 1 -13.854 -1.710 -18.275 1.00 0.00 C ATOM 4 O SER A 1 -13.698 -2.882 -17.995 1.00 0.00 O ATOM 5 CB SER A 1 -15.147 -1.484 -16.131 1.00 0.00 C ATOM 6 OG SER A 1 -14.251 -1.035 -15.123 1.00 0.00 O ATOM 0 H1 SER A 1 -16.717 -0.036 -17.604 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.924 -0.206 -19.096 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.538 -1.574 -18.300 1.00 0.00 H new ATOM 0 HA SER A 1 -14.274 0.134 -17.310 1.00 0.00 H new ATOM 0 HB2 SER A 1 -16.174 -1.244 -15.854 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.088 -2.568 -16.230 1.00 0.00 H new ATOM 0 HG SER A 1 -14.478 -1.461 -14.270 1.00 0.00 H new ATOM 14 N SER A 2 -13.229 -1.167 -19.284 1.00 0.00 N ATOM 15 CA SER A 2 -12.304 -1.987 -20.118 1.00 0.00 C ATOM 16 C SER A 2 -10.857 -1.784 -19.659 1.00 0.00 C ATOM 17 O SER A 2 -10.115 -1.013 -20.236 1.00 0.00 O ATOM 18 CB SER A 2 -12.492 -1.469 -21.543 1.00 0.00 C ATOM 19 OG SER A 2 -11.907 -0.178 -21.655 1.00 0.00 O ATOM 0 H SER A 2 -13.319 -0.191 -19.567 1.00 0.00 H new ATOM 0 HA SER A 2 -12.514 -3.054 -20.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.030 -2.153 -22.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.553 -1.423 -21.788 1.00 0.00 H new ATOM 0 HG SER A 2 -10.933 -0.252 -21.574 1.00 0.00 H new ATOM 25 N ASN A 3 -10.452 -2.467 -18.625 1.00 0.00 N ATOM 26 CA ASN A 3 -9.053 -2.313 -18.130 1.00 0.00 C ATOM 27 C ASN A 3 -8.716 -3.429 -17.139 1.00 0.00 C ATOM 28 O ASN A 3 -7.782 -4.183 -17.331 1.00 0.00 O ATOM 29 CB ASN A 3 -9.027 -0.951 -17.434 1.00 0.00 C ATOM 30 CG ASN A 3 -7.617 -0.364 -17.513 1.00 0.00 C ATOM 31 OD1 ASN A 3 -6.672 -0.957 -17.033 1.00 0.00 O ATOM 32 ND2 ASN A 3 -7.435 0.785 -18.103 1.00 0.00 N ATOM 0 H ASN A 3 -11.028 -3.125 -18.100 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.321 -2.373 -18.935 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.740 -0.276 -17.906 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.330 -1.057 -16.392 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.499 1.186 -18.161 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.229 1.283 -18.506 1.00 0.00 H new ATOM 39 N LEU A 4 -9.470 -3.542 -16.079 1.00 0.00 N ATOM 40 CA LEU A 4 -9.192 -4.610 -15.076 1.00 0.00 C ATOM 41 C LEU A 4 -10.404 -5.537 -14.942 1.00 0.00 C ATOM 42 O LEU A 4 -11.468 -5.261 -15.459 1.00 0.00 O ATOM 43 CB LEU A 4 -8.937 -3.866 -13.765 1.00 0.00 C ATOM 44 CG LEU A 4 -7.853 -4.592 -12.969 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.510 -3.888 -13.173 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.215 -4.574 -11.483 1.00 0.00 C ATOM 0 H LEU A 4 -10.266 -2.941 -15.864 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.345 -5.234 -15.361 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.627 -2.841 -13.970 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.856 -3.810 -13.181 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.779 -5.623 -13.315 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.737 -4.406 -12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.251 -3.899 -14.232 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.584 -2.857 -12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.443 -5.092 -10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.289 -3.542 -11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.172 -5.075 -11.335 1.00 0.00 H new ATOM 58 N THR A 5 -10.251 -6.633 -14.250 1.00 0.00 N ATOM 59 CA THR A 5 -11.395 -7.575 -14.084 1.00 0.00 C ATOM 60 C THR A 5 -11.272 -8.330 -12.758 1.00 0.00 C ATOM 61 O THR A 5 -10.401 -8.056 -11.956 1.00 0.00 O ATOM 62 CB THR A 5 -11.287 -8.542 -15.264 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.481 -7.960 -16.278 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.683 -8.830 -15.821 1.00 0.00 C ATOM 0 H THR A 5 -9.385 -6.917 -13.793 1.00 0.00 H new ATOM 0 HA THR A 5 -12.355 -7.059 -14.067 1.00 0.00 H new ATOM 0 HB THR A 5 -10.833 -9.475 -14.929 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.409 -8.579 -17.034 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.604 -9.519 -16.662 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.300 -9.277 -15.042 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.140 -7.899 -16.157 1.00 0.00 H new ATOM 72 N GLU A 6 -12.137 -9.277 -12.521 1.00 0.00 N ATOM 73 CA GLU A 6 -12.069 -10.048 -11.247 1.00 0.00 C ATOM 74 C GLU A 6 -10.697 -10.711 -11.102 1.00 0.00 C ATOM 75 O GLU A 6 -9.897 -10.329 -10.272 1.00 0.00 O ATOM 76 CB GLU A 6 -13.167 -11.106 -11.364 1.00 0.00 C ATOM 77 CG GLU A 6 -14.481 -10.436 -11.769 1.00 0.00 C ATOM 78 CD GLU A 6 -14.880 -10.896 -13.172 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.090 -10.704 -14.082 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.965 -11.432 -13.312 1.00 0.00 O ATOM 0 H GLU A 6 -12.888 -9.551 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.208 -9.412 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.886 -11.856 -12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.289 -11.625 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.265 -10.689 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.370 -9.352 -11.749 1.00 0.00 H new ATOM 87 N GLU A 7 -10.419 -11.702 -11.906 1.00 0.00 N ATOM 88 CA GLU A 7 -9.098 -12.388 -11.813 1.00 0.00 C ATOM 89 C GLU A 7 -7.978 -11.357 -11.650 1.00 0.00 C ATOM 90 O GLU A 7 -7.094 -11.511 -10.831 1.00 0.00 O ATOM 91 CB GLU A 7 -8.947 -13.138 -13.137 1.00 0.00 C ATOM 92 CG GLU A 7 -8.939 -14.645 -12.872 1.00 0.00 C ATOM 93 CD GLU A 7 -8.111 -15.348 -13.949 1.00 0.00 C ATOM 94 OE1 GLU A 7 -8.597 -15.461 -15.063 1.00 0.00 O ATOM 95 OE2 GLU A 7 -7.005 -15.762 -13.642 1.00 0.00 O ATOM 0 H GLU A 7 -11.048 -12.066 -12.622 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.040 -13.059 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.766 -12.880 -13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.023 -12.840 -13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.522 -14.849 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.959 -15.031 -12.873 1.00 0.00 H new ATOM 102 N GLN A 8 -8.010 -10.305 -12.421 1.00 0.00 N ATOM 103 CA GLN A 8 -6.947 -9.266 -12.305 1.00 0.00 C ATOM 104 C GLN A 8 -6.813 -8.811 -10.850 1.00 0.00 C ATOM 105 O GLN A 8 -5.788 -8.995 -10.224 1.00 0.00 O ATOM 106 CB GLN A 8 -7.423 -8.111 -13.187 1.00 0.00 C ATOM 107 CG GLN A 8 -6.242 -7.563 -13.991 1.00 0.00 C ATOM 108 CD GLN A 8 -6.365 -8.010 -15.449 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.871 -9.080 -15.727 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.920 -7.233 -16.397 1.00 0.00 N ATOM 0 H GLN A 8 -8.724 -10.120 -13.125 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.970 -9.637 -12.614 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.208 -8.454 -13.861 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.854 -7.322 -12.570 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.223 -6.475 -13.934 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.303 -7.921 -13.568 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.496 -6.335 -16.164 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.996 -7.523 -17.372 1.00 0.00 H new ATOM 119 N ILE A 9 -7.842 -8.221 -10.306 1.00 0.00 N ATOM 120 CA ILE A 9 -7.773 -7.760 -8.890 1.00 0.00 C ATOM 121 C ILE A 9 -7.222 -8.877 -8.001 1.00 0.00 C ATOM 122 O ILE A 9 -6.518 -8.632 -7.042 1.00 0.00 O ATOM 123 CB ILE A 9 -9.216 -7.433 -8.508 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.735 -6.302 -9.399 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.271 -6.992 -7.044 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.123 -5.870 -8.922 1.00 0.00 C ATOM 0 H ILE A 9 -8.727 -8.038 -10.780 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.116 -6.900 -8.766 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.836 -8.319 -8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.049 -5.456 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.783 -6.635 -10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.301 -6.759 -6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.901 -7.796 -6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.650 -6.106 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.492 -5.065 -9.557 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.807 -6.717 -8.977 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.061 -5.520 -7.892 1.00 0.00 H new ATOM 138 N ALA A 10 -7.534 -10.106 -8.316 1.00 0.00 N ATOM 139 CA ALA A 10 -7.026 -11.239 -7.492 1.00 0.00 C ATOM 140 C ALA A 10 -5.497 -11.187 -7.413 1.00 0.00 C ATOM 141 O ALA A 10 -4.925 -11.020 -6.354 1.00 0.00 O ATOM 142 CB ALA A 10 -7.484 -12.499 -8.225 1.00 0.00 C ATOM 0 H ALA A 10 -8.118 -10.373 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.399 -11.207 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.148 -13.380 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.572 -12.506 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.060 -12.510 -9.229 1.00 0.00 H new ATOM 148 N GLU A 11 -4.832 -11.326 -8.527 1.00 0.00 N ATOM 149 CA GLU A 11 -3.342 -11.280 -8.515 1.00 0.00 C ATOM 150 C GLU A 11 -2.864 -10.023 -7.786 1.00 0.00 C ATOM 151 O GLU A 11 -1.837 -10.020 -7.137 1.00 0.00 O ATOM 152 CB GLU A 11 -2.934 -11.236 -9.988 1.00 0.00 C ATOM 153 CG GLU A 11 -2.407 -12.607 -10.413 1.00 0.00 C ATOM 154 CD GLU A 11 -3.391 -13.252 -11.391 1.00 0.00 C ATOM 155 OE1 GLU A 11 -4.545 -12.857 -11.385 1.00 0.00 O ATOM 156 OE2 GLU A 11 -2.974 -14.131 -12.128 1.00 0.00 O ATOM 0 H GLU A 11 -5.255 -11.469 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.904 -12.134 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.788 -10.956 -10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.167 -10.476 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.428 -12.503 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.276 -13.245 -9.539 1.00 0.00 H new ATOM 163 N PHE A 12 -3.606 -8.952 -7.885 1.00 0.00 N ATOM 164 CA PHE A 12 -3.197 -7.696 -7.196 1.00 0.00 C ATOM 165 C PHE A 12 -3.240 -7.893 -5.679 1.00 0.00 C ATOM 166 O PHE A 12 -2.341 -7.495 -4.965 1.00 0.00 O ATOM 167 CB PHE A 12 -4.228 -6.652 -7.630 1.00 0.00 C ATOM 168 CG PHE A 12 -3.858 -6.114 -8.991 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.753 -6.984 -10.083 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.624 -4.745 -9.162 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.413 -6.483 -11.347 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.284 -4.244 -10.424 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.178 -5.114 -11.517 1.00 0.00 C ATOM 0 H PHE A 12 -4.477 -8.894 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.181 -7.395 -7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.222 -7.098 -7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.266 -5.840 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.934 -8.041 -9.951 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.706 -4.074 -8.319 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.332 -7.153 -12.190 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.103 -3.187 -10.555 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.915 -4.728 -12.491 1.00 0.00 H new ATOM 183 N LYS A 13 -4.279 -8.508 -5.181 1.00 0.00 N ATOM 184 CA LYS A 13 -4.376 -8.732 -3.710 1.00 0.00 C ATOM 185 C LYS A 13 -3.163 -9.526 -3.221 1.00 0.00 C ATOM 186 O LYS A 13 -2.492 -9.138 -2.285 1.00 0.00 O ATOM 187 CB LYS A 13 -5.661 -9.540 -3.517 1.00 0.00 C ATOM 188 CG LYS A 13 -5.700 -10.105 -2.095 1.00 0.00 C ATOM 189 CD LYS A 13 -6.992 -9.664 -1.405 1.00 0.00 C ATOM 190 CE LYS A 13 -8.195 -10.215 -2.172 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.251 -11.660 -1.812 1.00 0.00 N ATOM 0 H LYS A 13 -5.063 -8.864 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.395 -7.799 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.531 -8.907 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.706 -10.351 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.644 -11.193 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.836 -9.756 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.008 -10.023 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.041 -8.576 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.113 -9.701 -1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.074 -10.080 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.171 -12.236 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.466 -11.888 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.155 -11.866 -1.341 1.00 0.00 H new ATOM 205 N GLU A 14 -2.874 -10.633 -3.849 1.00 0.00 N ATOM 206 CA GLU A 14 -1.700 -11.446 -3.420 1.00 0.00 C ATOM 207 C GLU A 14 -0.445 -10.570 -3.380 1.00 0.00 C ATOM 208 O GLU A 14 0.376 -10.686 -2.493 1.00 0.00 O ATOM 209 CB GLU A 14 -1.562 -12.535 -4.485 1.00 0.00 C ATOM 210 CG GLU A 14 -2.400 -13.751 -4.084 1.00 0.00 C ATOM 211 CD GLU A 14 -3.680 -13.788 -4.921 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.586 -14.100 -6.097 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.731 -13.502 -4.373 1.00 0.00 O ATOM 0 H GLU A 14 -3.399 -11.009 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.828 -11.868 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.892 -12.156 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.516 -12.821 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.828 -14.666 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.648 -13.701 -3.024 1.00 0.00 H new ATOM 220 N ALA A 15 -0.295 -9.693 -4.334 1.00 0.00 N ATOM 221 CA ALA A 15 0.903 -8.807 -4.352 1.00 0.00 C ATOM 222 C ALA A 15 0.821 -7.790 -3.211 1.00 0.00 C ATOM 223 O ALA A 15 1.569 -7.852 -2.256 1.00 0.00 O ATOM 224 CB ALA A 15 0.850 -8.099 -5.706 1.00 0.00 C ATOM 0 H ALA A 15 -0.951 -9.552 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 15 1.832 -9.362 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.702 -7.425 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.885 -8.839 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.075 -7.527 -5.781 1.00 0.00 H new ATOM 230 N PHE A 16 -0.084 -6.855 -3.304 1.00 0.00 N ATOM 231 CA PHE A 16 -0.220 -5.834 -2.226 1.00 0.00 C ATOM 232 C PHE A 16 -0.099 -6.492 -0.849 1.00 0.00 C ATOM 233 O PHE A 16 0.651 -6.049 -0.001 1.00 0.00 O ATOM 234 CB PHE A 16 -1.618 -5.248 -2.419 1.00 0.00 C ATOM 235 CG PHE A 16 -1.835 -4.119 -1.441 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.428 -2.820 -1.769 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.444 -4.370 -0.207 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.630 -1.774 -0.863 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.648 -3.323 0.701 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.241 -2.025 0.372 1.00 0.00 C ATOM 0 H PHE A 16 -0.737 -6.753 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 16 0.557 -5.071 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.733 -4.885 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.371 -6.022 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.958 -2.626 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.757 -5.372 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.315 -0.772 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.119 -3.517 1.653 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.398 -1.217 1.071 1.00 0.00 H new ATOM 250 N ALA A 17 -0.833 -7.547 -0.618 1.00 0.00 N ATOM 251 CA ALA A 17 -0.764 -8.230 0.706 1.00 0.00 C ATOM 252 C ALA A 17 0.599 -8.907 0.888 1.00 0.00 C ATOM 253 O ALA A 17 1.072 -9.081 1.993 1.00 0.00 O ATOM 254 CB ALA A 17 -1.878 -9.276 0.669 1.00 0.00 C ATOM 0 H ALA A 17 -1.477 -7.965 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.883 -7.532 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.894 -9.824 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.838 -8.781 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.698 -9.970 -0.152 1.00 0.00 H new ATOM 260 N LEU A 18 1.233 -9.291 -0.186 1.00 0.00 N ATOM 261 CA LEU A 18 2.562 -9.957 -0.067 1.00 0.00 C ATOM 262 C LEU A 18 3.528 -9.078 0.733 1.00 0.00 C ATOM 263 O LEU A 18 4.519 -9.547 1.257 1.00 0.00 O ATOM 264 CB LEU A 18 3.054 -10.124 -1.505 1.00 0.00 C ATOM 265 CG LEU A 18 3.419 -11.589 -1.751 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.380 -11.880 -3.252 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.829 -11.859 -1.218 1.00 0.00 C ATOM 0 H LEU A 18 0.889 -9.173 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 18 2.498 -10.912 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.280 -9.808 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.921 -9.487 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 18 2.705 -12.232 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.640 -12.924 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.378 -11.687 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.094 -11.237 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.090 -12.903 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.542 -11.215 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.860 -11.651 -0.148 1.00 0.00 H new ATOM 279 N PHE A 19 3.248 -7.807 0.834 1.00 0.00 N ATOM 280 CA PHE A 19 4.154 -6.904 1.602 1.00 0.00 C ATOM 281 C PHE A 19 3.377 -6.198 2.718 1.00 0.00 C ATOM 282 O PHE A 19 3.857 -5.263 3.325 1.00 0.00 O ATOM 283 CB PHE A 19 4.666 -5.887 0.580 1.00 0.00 C ATOM 284 CG PHE A 19 5.104 -6.606 -0.672 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.165 -6.920 -1.662 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.448 -6.958 -0.845 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.570 -7.584 -2.826 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.853 -7.623 -2.009 1.00 0.00 C ATOM 289 CZ PHE A 19 5.914 -7.936 -2.999 1.00 0.00 C ATOM 0 H PHE A 19 2.433 -7.355 0.419 1.00 0.00 H new ATOM 0 HA PHE A 19 4.970 -7.448 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.882 -5.168 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.500 -5.323 0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.128 -6.650 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.172 -6.717 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.846 -7.825 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.890 -7.894 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.226 -8.449 -3.896 1.00 0.00 H new ATOM 299 N ASP A 20 2.180 -6.639 2.990 1.00 0.00 N ATOM 300 CA ASP A 20 1.375 -5.991 4.065 1.00 0.00 C ATOM 301 C ASP A 20 2.001 -6.268 5.435 1.00 0.00 C ATOM 302 O ASP A 20 1.673 -7.234 6.095 1.00 0.00 O ATOM 303 CB ASP A 20 -0.008 -6.638 3.968 1.00 0.00 C ATOM 304 CG ASP A 20 0.105 -8.135 4.265 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.218 -8.632 4.281 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.924 -8.758 4.468 1.00 0.00 O ATOM 0 H ASP A 20 1.724 -7.419 2.516 1.00 0.00 H new ATOM 0 HA ASP A 20 1.328 -4.908 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.691 -6.167 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.424 -6.485 2.972 1.00 0.00 H new ATOM 311 N LYS A 21 2.900 -5.426 5.867 1.00 0.00 N ATOM 312 CA LYS A 21 3.547 -5.641 7.193 1.00 0.00 C ATOM 313 C LYS A 21 2.488 -5.673 8.299 1.00 0.00 C ATOM 314 O LYS A 21 2.589 -6.427 9.246 1.00 0.00 O ATOM 315 CB LYS A 21 4.478 -4.442 7.378 1.00 0.00 C ATOM 316 CG LYS A 21 5.532 -4.438 6.269 1.00 0.00 C ATOM 317 CD LYS A 21 6.838 -5.032 6.803 1.00 0.00 C ATOM 318 CE LYS A 21 7.898 -3.932 6.899 1.00 0.00 C ATOM 319 NZ LYS A 21 8.282 -3.894 8.338 1.00 0.00 N ATOM 0 H LYS A 21 3.214 -4.599 5.360 1.00 0.00 H new ATOM 0 HA LYS A 21 4.086 -6.587 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.904 -3.515 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.962 -4.491 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.179 -5.017 5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.700 -3.420 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.673 -5.479 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.184 -5.828 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.757 -4.155 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.501 -2.971 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.007 -3.163 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.445 -3.673 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.662 -4.820 8.620 1.00 0.00 H new ATOM 333 N ASP A 22 1.473 -4.861 8.186 1.00 0.00 N ATOM 334 CA ASP A 22 0.409 -4.847 9.230 1.00 0.00 C ATOM 335 C ASP A 22 -0.393 -6.151 9.186 1.00 0.00 C ATOM 336 O ASP A 22 -1.045 -6.522 10.142 1.00 0.00 O ATOM 337 CB ASP A 22 -0.481 -3.657 8.873 1.00 0.00 C ATOM 338 CG ASP A 22 0.384 -2.410 8.682 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.072 -2.339 7.677 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.345 -1.548 9.544 1.00 0.00 O ATOM 0 H ASP A 22 1.334 -4.207 7.416 1.00 0.00 H new ATOM 0 HA ASP A 22 0.819 -4.761 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.039 -3.868 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.213 -3.487 9.663 1.00 0.00 H new ATOM 345 N ASN A 23 -0.350 -6.847 8.083 1.00 0.00 N ATOM 346 CA ASN A 23 -1.110 -8.126 7.980 1.00 0.00 C ATOM 347 C ASN A 23 -2.614 -7.855 8.058 1.00 0.00 C ATOM 348 O ASN A 23 -3.389 -8.707 8.449 1.00 0.00 O ATOM 349 CB ASN A 23 -0.651 -8.958 9.177 1.00 0.00 C ATOM 350 CG ASN A 23 -0.018 -10.260 8.683 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.372 -11.331 9.137 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.909 -10.213 7.766 1.00 0.00 N ATOM 0 H ASN A 23 0.177 -6.586 7.250 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.929 -8.639 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.069 -8.394 9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.498 -9.177 9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.337 -11.075 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.205 -9.314 7.386 1.00 0.00 H new ATOM 359 N ASN A 24 -3.035 -6.677 7.689 1.00 0.00 N ATOM 360 CA ASN A 24 -4.490 -6.352 7.743 1.00 0.00 C ATOM 361 C ASN A 24 -4.991 -5.939 6.356 1.00 0.00 C ATOM 362 O ASN A 24 -6.176 -5.951 6.085 1.00 0.00 O ATOM 363 CB ASN A 24 -4.600 -5.184 8.723 1.00 0.00 C ATOM 364 CG ASN A 24 -3.631 -4.076 8.307 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.100 -4.095 7.216 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.379 -3.102 9.138 1.00 0.00 N ATOM 0 H ASN A 24 -2.435 -5.924 7.352 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.092 -7.205 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.621 -4.802 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.371 -5.521 9.734 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.736 -2.357 8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.825 -3.086 10.055 1.00 0.00 H new ATOM 373 N GLY A 25 -4.099 -5.573 5.477 1.00 0.00 N ATOM 374 CA GLY A 25 -4.526 -5.160 4.110 1.00 0.00 C ATOM 375 C GLY A 25 -3.997 -3.756 3.812 1.00 0.00 C ATOM 376 O GLY A 25 -4.627 -2.977 3.125 1.00 0.00 O ATOM 0 H GLY A 25 -3.094 -5.542 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.149 -5.867 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.614 -5.173 4.038 1.00 0.00 H new ATOM 380 N SER A 26 -2.842 -3.427 4.322 1.00 0.00 N ATOM 381 CA SER A 26 -2.273 -2.073 4.067 1.00 0.00 C ATOM 382 C SER A 26 -0.750 -2.157 3.928 1.00 0.00 C ATOM 383 O SER A 26 -0.098 -2.928 4.603 1.00 0.00 O ATOM 384 CB SER A 26 -2.655 -1.245 5.293 1.00 0.00 C ATOM 385 OG SER A 26 -2.109 -1.852 6.457 1.00 0.00 O ATOM 0 H SER A 26 -2.268 -4.037 4.904 1.00 0.00 H new ATOM 0 HA SER A 26 -2.652 -1.633 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.280 -0.227 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.740 -1.178 5.378 1.00 0.00 H new ATOM 0 HG SER A 26 -2.519 -2.732 6.590 1.00 0.00 H new ATOM 391 N ILE A 27 -0.180 -1.369 3.058 1.00 0.00 N ATOM 392 CA ILE A 27 1.301 -1.407 2.878 1.00 0.00 C ATOM 393 C ILE A 27 1.861 0.017 2.804 1.00 0.00 C ATOM 394 O ILE A 27 1.156 0.957 2.496 1.00 0.00 O ATOM 395 CB ILE A 27 1.519 -2.137 1.552 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.151 -1.212 0.390 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.638 -3.387 1.506 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.402 -1.928 -0.937 1.00 0.00 C ATOM 0 H ILE A 27 -0.673 -0.702 2.465 1.00 0.00 H new ATOM 0 HA ILE A 27 1.806 -1.905 3.706 1.00 0.00 H new ATOM 0 HB ILE A 27 2.566 -2.426 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.104 -0.918 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.743 -0.298 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.794 -3.907 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.901 -4.048 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.409 -3.097 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.139 -1.267 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.455 -2.199 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.791 -2.829 -0.985 1.00 0.00 H new ATOM 410 N SER A 28 3.125 0.181 3.079 1.00 0.00 N ATOM 411 CA SER A 28 3.729 1.543 3.019 1.00 0.00 C ATOM 412 C SER A 28 4.065 1.901 1.569 1.00 0.00 C ATOM 413 O SER A 28 4.284 1.038 0.743 1.00 0.00 O ATOM 414 CB SER A 28 5.002 1.450 3.860 1.00 0.00 C ATOM 415 OG SER A 28 4.699 1.781 5.208 1.00 0.00 O ATOM 0 H SER A 28 3.766 -0.568 3.342 1.00 0.00 H new ATOM 0 HA SER A 28 3.055 2.314 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.415 0.443 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.761 2.128 3.469 1.00 0.00 H new ATOM 0 HG SER A 28 5.513 1.721 5.751 1.00 0.00 H new ATOM 421 N SER A 29 4.108 3.165 1.254 1.00 0.00 N ATOM 422 CA SER A 29 4.429 3.571 -0.145 1.00 0.00 C ATOM 423 C SER A 29 5.642 2.788 -0.657 1.00 0.00 C ATOM 424 O SER A 29 5.617 2.217 -1.729 1.00 0.00 O ATOM 425 CB SER A 29 4.749 5.062 -0.063 1.00 0.00 C ATOM 426 OG SER A 29 6.159 5.240 -0.039 1.00 0.00 O ATOM 0 H SER A 29 3.935 3.934 1.902 1.00 0.00 H new ATOM 0 HA SER A 29 3.607 3.369 -0.832 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.320 5.585 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.301 5.493 0.833 1.00 0.00 H new ATOM 0 HG SER A 29 6.367 6.196 0.012 1.00 0.00 H new ATOM 432 N SER A 30 6.703 2.757 0.103 1.00 0.00 N ATOM 433 CA SER A 30 7.915 2.010 -0.343 1.00 0.00 C ATOM 434 C SER A 30 7.533 0.588 -0.761 1.00 0.00 C ATOM 435 O SER A 30 8.169 -0.015 -1.602 1.00 0.00 O ATOM 436 CB SER A 30 8.833 1.980 0.879 1.00 0.00 C ATOM 437 OG SER A 30 9.739 0.892 0.758 1.00 0.00 O ATOM 0 H SER A 30 6.784 3.215 1.011 1.00 0.00 H new ATOM 0 HA SER A 30 8.396 2.477 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.382 2.918 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.243 1.877 1.789 1.00 0.00 H new ATOM 0 HG SER A 30 10.330 0.870 1.539 1.00 0.00 H new ATOM 443 N GLU A 31 6.496 0.048 -0.181 1.00 0.00 N ATOM 444 CA GLU A 31 6.071 -1.335 -0.546 1.00 0.00 C ATOM 445 C GLU A 31 5.220 -1.308 -1.818 1.00 0.00 C ATOM 446 O GLU A 31 5.267 -2.213 -2.628 1.00 0.00 O ATOM 447 CB GLU A 31 5.245 -1.822 0.643 1.00 0.00 C ATOM 448 CG GLU A 31 6.063 -1.678 1.929 1.00 0.00 C ATOM 449 CD GLU A 31 6.749 -3.007 2.249 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.627 -3.394 1.496 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.383 -3.615 3.242 1.00 0.00 O ATOM 0 H GLU A 31 5.924 0.504 0.530 1.00 0.00 H new ATOM 0 HA GLU A 31 6.920 -1.989 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.324 -1.245 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.958 -2.863 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.808 -0.891 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.414 -1.383 2.754 1.00 0.00 H new ATOM 458 N LEU A 32 4.439 -0.278 -2.000 1.00 0.00 N ATOM 459 CA LEU A 32 3.586 -0.198 -3.221 1.00 0.00 C ATOM 460 C LEU A 32 4.448 -0.355 -4.476 1.00 0.00 C ATOM 461 O LEU A 32 4.111 -1.092 -5.382 1.00 0.00 O ATOM 462 CB LEU A 32 2.953 1.194 -3.175 1.00 0.00 C ATOM 463 CG LEU A 32 2.157 1.434 -4.457 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.073 0.364 -4.595 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.502 2.816 -4.398 1.00 0.00 C ATOM 0 H LEU A 32 4.354 0.510 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 32 2.833 -0.985 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.299 1.279 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.727 1.954 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 32 2.828 1.384 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.506 0.536 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.537 -0.621 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.402 0.413 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.934 2.989 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.832 2.865 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.273 3.580 -4.300 1.00 0.00 H new ATOM 477 N ALA A 33 5.559 0.326 -4.536 1.00 0.00 N ATOM 478 CA ALA A 33 6.439 0.205 -5.732 1.00 0.00 C ATOM 479 C ALA A 33 6.727 -1.270 -6.019 1.00 0.00 C ATOM 480 O ALA A 33 6.737 -1.701 -7.155 1.00 0.00 O ATOM 481 CB ALA A 33 7.724 0.942 -5.357 1.00 0.00 C ATOM 0 H ALA A 33 5.895 0.959 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 33 5.982 0.623 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.425 0.897 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.494 1.983 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.171 0.472 -4.481 1.00 0.00 H new ATOM 487 N THR A 34 6.955 -2.048 -4.995 1.00 0.00 N ATOM 488 CA THR A 34 7.235 -3.495 -5.211 1.00 0.00 C ATOM 489 C THR A 34 6.005 -4.180 -5.813 1.00 0.00 C ATOM 490 O THR A 34 6.016 -4.607 -6.950 1.00 0.00 O ATOM 491 CB THR A 34 7.533 -4.057 -3.822 1.00 0.00 C ATOM 492 OG1 THR A 34 8.720 -3.461 -3.315 1.00 0.00 O ATOM 493 CG2 THR A 34 7.722 -5.571 -3.918 1.00 0.00 C ATOM 0 H THR A 34 6.959 -1.744 -4.021 1.00 0.00 H new ATOM 0 HA THR A 34 8.064 -3.658 -5.899 1.00 0.00 H new ATOM 0 HB THR A 34 6.702 -3.836 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.911 -3.820 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.935 -5.975 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.812 -6.027 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.554 -5.792 -4.587 1.00 0.00 H new ATOM 501 N VAL A 35 4.942 -4.279 -5.061 1.00 0.00 N ATOM 502 CA VAL A 35 3.713 -4.930 -5.597 1.00 0.00 C ATOM 503 C VAL A 35 3.450 -4.435 -7.022 1.00 0.00 C ATOM 504 O VAL A 35 2.921 -5.147 -7.854 1.00 0.00 O ATOM 505 CB VAL A 35 2.586 -4.489 -4.662 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.860 -5.009 -3.250 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.513 -2.962 -4.634 1.00 0.00 C ATOM 0 H VAL A 35 4.872 -3.938 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 35 3.800 -6.016 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 35 1.640 -4.893 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.056 -4.694 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.912 -6.098 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.807 -4.606 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.710 -2.648 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.460 -2.559 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.317 -2.589 -5.639 1.00 0.00 H new ATOM 517 N MET A 36 3.819 -3.216 -7.304 1.00 0.00 N ATOM 518 CA MET A 36 3.599 -2.658 -8.668 1.00 0.00 C ATOM 519 C MET A 36 4.349 -3.490 -9.713 1.00 0.00 C ATOM 520 O MET A 36 3.755 -4.060 -10.607 1.00 0.00 O ATOM 521 CB MET A 36 4.159 -1.236 -8.605 1.00 0.00 C ATOM 522 CG MET A 36 3.492 -0.373 -9.679 1.00 0.00 C ATOM 523 SD MET A 36 1.707 -0.311 -9.380 1.00 0.00 S ATOM 524 CE MET A 36 1.701 1.179 -8.353 1.00 0.00 C ATOM 0 H MET A 36 4.266 -2.579 -6.645 1.00 0.00 H new ATOM 0 HA MET A 36 2.548 -2.671 -8.956 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.982 -0.808 -7.618 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.238 -1.252 -8.756 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.909 0.634 -9.663 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.692 -0.785 -10.668 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.679 1.407 -8.049 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.315 1.013 -7.467 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.105 2.015 -8.923 1.00 0.00 H new ATOM 534 N ARG A 37 5.647 -3.563 -9.609 1.00 0.00 N ATOM 535 CA ARG A 37 6.429 -4.358 -10.602 1.00 0.00 C ATOM 536 C ARG A 37 6.181 -5.857 -10.401 1.00 0.00 C ATOM 537 O ARG A 37 6.404 -6.656 -11.287 1.00 0.00 O ATOM 538 CB ARG A 37 7.892 -4.014 -10.320 1.00 0.00 C ATOM 539 CG ARG A 37 8.084 -2.499 -10.397 1.00 0.00 C ATOM 540 CD ARG A 37 9.521 -2.145 -10.006 1.00 0.00 C ATOM 541 NE ARG A 37 10.377 -2.949 -10.921 1.00 0.00 N ATOM 542 CZ ARG A 37 11.642 -3.116 -10.652 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.010 -3.509 -9.463 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.541 -2.891 -11.571 1.00 0.00 N ATOM 0 H ARG A 37 6.200 -3.109 -8.882 1.00 0.00 H new ATOM 0 HA ARG A 37 6.145 -4.127 -11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.178 -4.378 -9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.539 -4.510 -11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.873 -2.146 -11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.381 -1.998 -9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.711 -1.078 -10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.718 -2.391 -8.963 1.00 0.00 H new ATOM 0 HE ARG A 37 9.974 -3.369 -11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.308 -3.686 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.999 -3.640 -9.253 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.254 -2.584 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.530 -3.022 -11.360 1.00 0.00 H new ATOM 558 N SER A 38 5.724 -6.243 -9.241 1.00 0.00 N ATOM 559 CA SER A 38 5.464 -7.688 -8.984 1.00 0.00 C ATOM 560 C SER A 38 4.320 -8.188 -9.867 1.00 0.00 C ATOM 561 O SER A 38 4.328 -9.312 -10.330 1.00 0.00 O ATOM 562 CB SER A 38 5.075 -7.764 -7.508 1.00 0.00 C ATOM 563 OG SER A 38 6.039 -7.065 -6.732 1.00 0.00 O ATOM 0 H SER A 38 5.519 -5.620 -8.460 1.00 0.00 H new ATOM 0 HA SER A 38 6.331 -8.309 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.086 -7.330 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.019 -8.804 -7.188 1.00 0.00 H new ATOM 0 HG SER A 38 6.210 -6.188 -7.135 1.00 0.00 H new ATOM 569 N LEU A 39 3.337 -7.366 -10.104 1.00 0.00 N ATOM 570 CA LEU A 39 2.196 -7.801 -10.959 1.00 0.00 C ATOM 571 C LEU A 39 2.696 -8.166 -12.358 1.00 0.00 C ATOM 572 O LEU A 39 2.094 -8.959 -13.056 1.00 0.00 O ATOM 573 CB LEU A 39 1.254 -6.596 -11.022 1.00 0.00 C ATOM 574 CG LEU A 39 0.358 -6.574 -9.781 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.700 -5.479 -9.936 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.337 -7.929 -9.625 1.00 0.00 C ATOM 0 H LEU A 39 3.273 -6.414 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 39 1.696 -8.683 -10.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.832 -5.674 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.642 -6.647 -11.923 1.00 0.00 H new ATOM 0 HG LEU A 39 0.967 -6.374 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.339 -5.462 -9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.209 -4.512 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.307 -5.682 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.974 -7.911 -8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.945 -8.130 -10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.413 -8.712 -9.516 1.00 0.00 H new ATOM 588 N GLY A 40 3.793 -7.597 -12.776 1.00 0.00 N ATOM 589 CA GLY A 40 4.329 -7.916 -14.130 1.00 0.00 C ATOM 590 C GLY A 40 4.616 -6.620 -14.890 1.00 0.00 C ATOM 591 O GLY A 40 4.478 -6.555 -16.096 1.00 0.00 O ATOM 0 H GLY A 40 4.341 -6.925 -12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.241 -8.506 -14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.611 -8.521 -14.683 1.00 0.00 H new ATOM 595 N LEU A 41 5.019 -5.590 -14.198 1.00 0.00 N ATOM 596 CA LEU A 41 5.317 -4.301 -14.888 1.00 0.00 C ATOM 597 C LEU A 41 6.595 -3.680 -14.319 1.00 0.00 C ATOM 598 O LEU A 41 7.217 -4.224 -13.429 1.00 0.00 O ATOM 599 CB LEU A 41 4.109 -3.408 -14.600 1.00 0.00 C ATOM 600 CG LEU A 41 3.740 -3.508 -13.120 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.431 -2.113 -12.575 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.506 -4.401 -12.962 1.00 0.00 C ATOM 0 H LEU A 41 5.155 -5.584 -13.187 1.00 0.00 H new ATOM 0 HA LEU A 41 5.479 -4.433 -15.958 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.338 -2.374 -14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.264 -3.712 -15.217 1.00 0.00 H new ATOM 0 HG LEU A 41 4.575 -3.938 -12.566 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.168 -2.185 -11.520 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.308 -1.476 -12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.596 -1.683 -13.129 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.242 -4.473 -11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.672 -3.971 -13.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.725 -5.396 -13.350 1.00 0.00 H new ATOM 614 N SER A 42 6.990 -2.544 -14.826 1.00 0.00 N ATOM 615 CA SER A 42 8.229 -1.891 -14.314 1.00 0.00 C ATOM 616 C SER A 42 8.305 -0.443 -14.806 1.00 0.00 C ATOM 617 O SER A 42 8.907 -0.163 -15.824 1.00 0.00 O ATOM 618 CB SER A 42 9.379 -2.714 -14.892 1.00 0.00 C ATOM 619 OG SER A 42 9.408 -2.555 -16.304 1.00 0.00 O ATOM 0 H SER A 42 6.509 -2.040 -15.571 1.00 0.00 H new ATOM 0 HA SER A 42 8.259 -1.859 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.326 -2.391 -14.459 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.253 -3.766 -14.636 1.00 0.00 H new ATOM 0 HG SER A 42 9.628 -1.626 -16.524 1.00 0.00 H new ATOM 625 N PRO A 43 7.688 0.430 -14.059 1.00 0.00 N ATOM 626 CA PRO A 43 7.680 1.870 -14.415 1.00 0.00 C ATOM 627 C PRO A 43 9.060 2.489 -14.173 1.00 0.00 C ATOM 628 O PRO A 43 10.056 1.797 -14.107 1.00 0.00 O ATOM 629 CB PRO A 43 6.642 2.467 -13.467 1.00 0.00 C ATOM 630 CG PRO A 43 6.601 1.533 -12.301 1.00 0.00 C ATOM 631 CD PRO A 43 6.945 0.162 -12.822 1.00 0.00 C ATOM 0 HA PRO A 43 7.447 2.051 -15.464 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.923 3.473 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.666 2.542 -13.947 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.310 1.843 -11.534 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.613 1.534 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.548 -0.397 -12.107 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.049 -0.429 -13.014 1.00 0.00 H new ATOM 639 N SER A 44 9.125 3.785 -14.042 1.00 0.00 N ATOM 640 CA SER A 44 10.442 4.445 -13.806 1.00 0.00 C ATOM 641 C SER A 44 10.315 5.500 -12.703 1.00 0.00 C ATOM 642 O SER A 44 9.231 5.814 -12.252 1.00 0.00 O ATOM 643 CB SER A 44 10.800 5.103 -15.138 1.00 0.00 C ATOM 644 OG SER A 44 9.619 5.263 -15.914 1.00 0.00 O ATOM 0 H SER A 44 8.325 4.416 -14.088 1.00 0.00 H new ATOM 0 HA SER A 44 11.206 3.738 -13.483 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.269 6.071 -14.964 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.523 4.491 -15.677 1.00 0.00 H new ATOM 0 HG SER A 44 9.844 5.686 -16.769 1.00 0.00 H new ATOM 650 N GLU A 45 11.415 6.048 -12.265 1.00 0.00 N ATOM 651 CA GLU A 45 11.357 7.081 -11.191 1.00 0.00 C ATOM 652 C GLU A 45 10.219 8.067 -11.469 1.00 0.00 C ATOM 653 O GLU A 45 9.276 8.171 -10.710 1.00 0.00 O ATOM 654 CB GLU A 45 12.710 7.792 -11.253 1.00 0.00 C ATOM 655 CG GLU A 45 13.513 7.471 -9.991 1.00 0.00 C ATOM 656 CD GLU A 45 14.606 6.453 -10.326 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.275 5.422 -10.887 1.00 0.00 O ATOM 658 OE2 GLU A 45 15.755 6.724 -10.018 1.00 0.00 O ATOM 0 H GLU A 45 12.351 5.826 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 45 11.169 6.647 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.260 7.473 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.563 8.869 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.959 8.381 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.854 7.072 -9.220 1.00 0.00 H new ATOM 665 N ALA A 46 10.300 8.792 -12.552 1.00 0.00 N ATOM 666 CA ALA A 46 9.221 9.770 -12.876 1.00 0.00 C ATOM 667 C ALA A 46 7.848 9.146 -12.616 1.00 0.00 C ATOM 668 O ALA A 46 7.044 9.675 -11.874 1.00 0.00 O ATOM 669 CB ALA A 46 9.398 10.077 -14.363 1.00 0.00 C ATOM 0 H ALA A 46 11.065 8.750 -13.225 1.00 0.00 H new ATOM 0 HA ALA A 46 9.282 10.670 -12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.639 10.792 -14.680 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.388 10.500 -14.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.293 9.158 -14.939 1.00 0.00 H new ATOM 675 N GLU A 47 7.574 8.021 -13.219 1.00 0.00 N ATOM 676 CA GLU A 47 6.253 7.363 -13.004 1.00 0.00 C ATOM 677 C GLU A 47 5.979 7.212 -11.506 1.00 0.00 C ATOM 678 O GLU A 47 4.851 7.289 -11.060 1.00 0.00 O ATOM 679 CB GLU A 47 6.381 5.992 -13.668 1.00 0.00 C ATOM 680 CG GLU A 47 5.193 5.766 -14.606 1.00 0.00 C ATOM 681 CD GLU A 47 5.517 6.338 -15.988 1.00 0.00 C ATOM 682 OE1 GLU A 47 5.947 7.478 -16.050 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.331 5.626 -16.960 1.00 0.00 O ATOM 0 H GLU A 47 8.207 7.530 -13.850 1.00 0.00 H new ATOM 0 HA GLU A 47 5.429 7.941 -13.422 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.315 5.932 -14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.413 5.210 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.975 4.701 -14.684 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.301 6.245 -14.202 1.00 0.00 H new ATOM 690 N VAL A 48 7.003 6.997 -10.725 1.00 0.00 N ATOM 691 CA VAL A 48 6.801 6.841 -9.256 1.00 0.00 C ATOM 692 C VAL A 48 6.458 8.193 -8.625 1.00 0.00 C ATOM 693 O VAL A 48 5.580 8.296 -7.790 1.00 0.00 O ATOM 694 CB VAL A 48 8.139 6.326 -8.724 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.950 5.787 -7.305 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.648 5.203 -9.631 1.00 0.00 C ATOM 0 H VAL A 48 7.970 6.923 -11.041 1.00 0.00 H new ATOM 0 HA VAL A 48 5.981 6.162 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 48 8.863 7.141 -8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.903 5.420 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.585 6.585 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.227 4.972 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.602 4.834 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.924 4.389 -9.643 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.782 5.585 -10.643 1.00 0.00 H new ATOM 706 N ASN A 49 7.144 9.232 -9.018 1.00 0.00 N ATOM 707 CA ASN A 49 6.856 10.577 -8.441 1.00 0.00 C ATOM 708 C ASN A 49 5.371 10.912 -8.596 1.00 0.00 C ATOM 709 O ASN A 49 4.749 11.449 -7.701 1.00 0.00 O ATOM 710 CB ASN A 49 7.714 11.547 -9.253 1.00 0.00 C ATOM 711 CG ASN A 49 8.352 12.575 -8.317 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.017 13.743 -8.359 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.261 12.188 -7.464 1.00 0.00 N ATOM 0 H ASN A 49 7.890 9.208 -9.713 1.00 0.00 H new ATOM 0 HA ASN A 49 7.082 10.627 -7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.488 11.000 -9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.102 12.052 -10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.690 12.865 -6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.543 11.208 -7.428 1.00 0.00 H new ATOM 720 N ASP A 50 4.798 10.599 -9.725 1.00 0.00 N ATOM 721 CA ASP A 50 3.353 10.900 -9.937 1.00 0.00 C ATOM 722 C ASP A 50 2.487 9.903 -9.163 1.00 0.00 C ATOM 723 O ASP A 50 1.542 10.275 -8.495 1.00 0.00 O ATOM 724 CB ASP A 50 3.133 10.748 -11.442 1.00 0.00 C ATOM 725 CG ASP A 50 3.611 12.011 -12.159 1.00 0.00 C ATOM 726 OD1 ASP A 50 3.057 13.065 -11.895 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.525 11.902 -12.962 1.00 0.00 O ATOM 0 H ASP A 50 5.267 10.148 -10.510 1.00 0.00 H new ATOM 0 HA ASP A 50 3.082 11.895 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.676 9.879 -11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.077 10.577 -11.650 1.00 0.00 H new ATOM 732 N LEU A 51 2.801 8.639 -9.248 1.00 0.00 N ATOM 733 CA LEU A 51 1.994 7.620 -8.517 1.00 0.00 C ATOM 734 C LEU A 51 1.934 7.964 -7.026 1.00 0.00 C ATOM 735 O LEU A 51 0.877 7.989 -6.427 1.00 0.00 O ATOM 736 CB LEU A 51 2.735 6.299 -8.733 1.00 0.00 C ATOM 737 CG LEU A 51 2.239 5.641 -10.022 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.287 4.647 -10.524 1.00 0.00 C ATOM 739 CD2 LEU A 51 0.929 4.902 -9.743 1.00 0.00 C ATOM 0 H LEU A 51 3.580 8.268 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 51 0.965 7.574 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.809 6.478 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.569 5.634 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 51 2.072 6.406 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.933 4.178 -11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.222 5.172 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.454 3.881 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.574 4.432 -10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.097 4.137 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.181 5.610 -9.385 1.00 0.00 H new ATOM 751 N MET A 52 3.060 8.229 -6.423 1.00 0.00 N ATOM 752 CA MET A 52 3.066 8.571 -4.972 1.00 0.00 C ATOM 753 C MET A 52 2.293 9.871 -4.732 1.00 0.00 C ATOM 754 O MET A 52 1.351 9.912 -3.966 1.00 0.00 O ATOM 755 CB MET A 52 4.541 8.750 -4.613 1.00 0.00 C ATOM 756 CG MET A 52 4.989 7.605 -3.703 1.00 0.00 C ATOM 757 SD MET A 52 4.921 6.045 -4.618 1.00 0.00 S ATOM 758 CE MET A 52 4.341 5.007 -3.254 1.00 0.00 C ATOM 0 H MET A 52 3.976 8.224 -6.872 1.00 0.00 H new ATOM 0 HA MET A 52 2.590 7.802 -4.364 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.147 8.767 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.690 9.706 -4.112 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.003 7.786 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.346 7.552 -2.824 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.092 4.015 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.126 4.922 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.456 5.457 -2.805 1.00 0.00 H new ATOM 768 N ASN A 53 2.685 10.933 -5.381 1.00 0.00 N ATOM 769 CA ASN A 53 1.971 12.229 -5.189 1.00 0.00 C ATOM 770 C ASN A 53 0.458 12.019 -5.290 1.00 0.00 C ATOM 771 O ASN A 53 -0.321 12.795 -4.773 1.00 0.00 O ATOM 772 CB ASN A 53 2.466 13.125 -6.326 1.00 0.00 C ATOM 773 CG ASN A 53 3.365 14.223 -5.755 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.319 13.943 -5.057 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.099 15.472 -6.024 1.00 0.00 N ATOM 0 H ASN A 53 3.467 10.960 -6.035 1.00 0.00 H new ATOM 0 HA ASN A 53 2.165 12.667 -4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.017 12.533 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.619 13.569 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.692 16.212 -5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.298 15.708 -6.610 1.00 0.00 H new ATOM 782 N GLU A 54 0.037 10.977 -5.953 1.00 0.00 N ATOM 783 CA GLU A 54 -1.426 10.719 -6.086 1.00 0.00 C ATOM 784 C GLU A 54 -1.976 10.111 -4.793 1.00 0.00 C ATOM 785 O GLU A 54 -3.145 10.237 -4.486 1.00 0.00 O ATOM 786 CB GLU A 54 -1.550 9.725 -7.242 1.00 0.00 C ATOM 787 CG GLU A 54 -2.696 10.150 -8.161 1.00 0.00 C ATOM 788 CD GLU A 54 -2.918 9.078 -9.229 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.899 7.908 -8.880 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.104 9.444 -10.377 1.00 0.00 O ATOM 0 H GLU A 54 0.642 10.293 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.991 11.632 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.616 9.685 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.733 8.722 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.607 10.294 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.463 11.105 -8.632 1.00 0.00 H new ATOM 797 N ILE A 55 -1.143 9.453 -4.035 1.00 0.00 N ATOM 798 CA ILE A 55 -1.621 8.838 -2.762 1.00 0.00 C ATOM 799 C ILE A 55 -0.802 9.364 -1.580 1.00 0.00 C ATOM 800 O ILE A 55 -1.336 9.683 -0.536 1.00 0.00 O ATOM 801 CB ILE A 55 -1.399 7.336 -2.941 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.931 6.593 -1.714 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.097 7.055 -3.097 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.526 5.121 -1.791 1.00 0.00 C ATOM 0 H ILE A 55 -0.154 9.314 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.665 9.075 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.927 6.995 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.534 7.043 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.016 6.680 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.255 5.984 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.477 7.584 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.626 7.396 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.906 4.593 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.944 4.675 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.439 5.044 -1.818 1.00 0.00 H new ATOM 816 N ASP A 56 0.490 9.458 -1.735 1.00 0.00 N ATOM 817 CA ASP A 56 1.340 9.964 -0.620 1.00 0.00 C ATOM 818 C ASP A 56 0.689 11.188 0.029 1.00 0.00 C ATOM 819 O ASP A 56 0.296 12.123 -0.641 1.00 0.00 O ATOM 820 CB ASP A 56 2.667 10.348 -1.277 1.00 0.00 C ATOM 821 CG ASP A 56 3.827 9.879 -0.396 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.648 8.908 0.318 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.875 10.501 -0.452 1.00 0.00 O ATOM 0 H ASP A 56 0.994 9.206 -2.585 1.00 0.00 H new ATOM 0 HA ASP A 56 1.474 9.222 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.740 9.894 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.716 11.428 -1.417 1.00 0.00 H new ATOM 828 N VAL A 57 0.570 11.189 1.329 1.00 0.00 N ATOM 829 CA VAL A 57 -0.056 12.354 2.019 1.00 0.00 C ATOM 830 C VAL A 57 1.020 13.218 2.680 1.00 0.00 C ATOM 831 O VAL A 57 0.988 14.431 2.607 1.00 0.00 O ATOM 832 CB VAL A 57 -0.974 11.739 3.076 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.786 12.845 3.753 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.925 10.745 2.408 1.00 0.00 C ATOM 0 H VAL A 57 0.879 10.435 1.943 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.601 12.999 1.330 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.372 11.221 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.440 12.407 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.109 13.554 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.388 13.363 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.580 10.306 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.527 11.263 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.347 9.957 1.925 1.00 0.00 H new ATOM 844 N ASP A 58 1.975 12.605 3.325 1.00 0.00 N ATOM 845 CA ASP A 58 3.052 13.393 3.990 1.00 0.00 C ATOM 846 C ASP A 58 4.342 12.572 4.060 1.00 0.00 C ATOM 847 O ASP A 58 4.892 12.351 5.122 1.00 0.00 O ATOM 848 CB ASP A 58 2.522 13.682 5.395 1.00 0.00 C ATOM 849 CG ASP A 58 1.896 15.077 5.429 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.253 15.886 4.588 1.00 0.00 O ATOM 851 OD2 ASP A 58 1.071 15.314 6.294 1.00 0.00 O ATOM 0 H ASP A 58 2.056 11.593 3.420 1.00 0.00 H new ATOM 0 HA ASP A 58 3.288 14.309 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.782 12.933 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.333 13.618 6.121 1.00 0.00 H new ATOM 856 N GLY A 59 4.830 12.117 2.938 1.00 0.00 N ATOM 857 CA GLY A 59 6.083 11.312 2.942 1.00 0.00 C ATOM 858 C GLY A 59 5.743 9.837 3.171 1.00 0.00 C ATOM 859 O GLY A 59 5.741 9.042 2.253 1.00 0.00 O ATOM 0 H GLY A 59 4.414 12.268 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.608 11.432 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.753 11.667 3.725 1.00 0.00 H new ATOM 863 N ASN A 60 5.453 9.468 4.388 1.00 0.00 N ATOM 864 CA ASN A 60 5.112 8.045 4.674 1.00 0.00 C ATOM 865 C ASN A 60 3.612 7.905 4.949 1.00 0.00 C ATOM 866 O ASN A 60 2.947 8.855 5.312 1.00 0.00 O ATOM 867 CB ASN A 60 5.922 7.686 5.920 1.00 0.00 C ATOM 868 CG ASN A 60 5.384 8.466 7.121 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.273 8.241 7.559 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.131 9.380 7.677 1.00 0.00 N ATOM 0 H ASN A 60 5.437 10.089 5.197 1.00 0.00 H new ATOM 0 HA ASN A 60 5.343 7.389 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.859 6.615 6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.975 7.921 5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.782 9.905 8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.064 9.569 7.310 1.00 0.00 H new ATOM 877 N HIS A 61 3.074 6.728 4.779 1.00 0.00 N ATOM 878 CA HIS A 61 1.619 6.530 5.032 1.00 0.00 C ATOM 879 C HIS A 61 1.240 5.060 4.826 1.00 0.00 C ATOM 880 O HIS A 61 1.977 4.296 4.236 1.00 0.00 O ATOM 881 CB HIS A 61 0.914 7.416 4.004 1.00 0.00 C ATOM 882 CG HIS A 61 1.054 6.808 2.635 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.999 5.835 2.351 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.377 7.026 1.461 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.866 5.505 1.053 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.891 6.202 0.463 1.00 0.00 N ATOM 0 H HIS A 61 3.579 5.895 4.476 1.00 0.00 H new ATOM 0 HA HIS A 61 1.339 6.789 6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.140 7.520 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.345 8.417 4.015 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.673 5.440 3.007 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.432 7.730 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.473 4.767 0.550 1.00 0.00 H new ATOM 894 N GLN A 62 0.095 4.661 5.307 1.00 0.00 N ATOM 895 CA GLN A 62 -0.331 3.241 5.136 1.00 0.00 C ATOM 896 C GLN A 62 -1.248 3.109 3.918 1.00 0.00 C ATOM 897 O GLN A 62 -2.408 3.470 3.959 1.00 0.00 O ATOM 898 CB GLN A 62 -1.089 2.898 6.419 1.00 0.00 C ATOM 899 CG GLN A 62 -0.229 3.257 7.632 1.00 0.00 C ATOM 900 CD GLN A 62 -0.860 4.436 8.375 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.829 4.270 9.090 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.348 5.628 8.235 1.00 0.00 N ATOM 0 H GLN A 62 -0.564 5.255 5.810 1.00 0.00 H new ATOM 0 HA GLN A 62 0.514 2.572 4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.032 3.444 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.335 1.836 6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.144 2.398 8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.781 3.514 7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.465 5.767 7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.761 6.421 8.726 1.00 0.00 H new ATOM 911 N ILE A 63 -0.738 2.598 2.831 1.00 0.00 N ATOM 912 CA ILE A 63 -1.580 2.446 1.611 1.00 0.00 C ATOM 913 C ILE A 63 -2.623 1.345 1.818 1.00 0.00 C ATOM 914 O ILE A 63 -2.427 0.426 2.588 1.00 0.00 O ATOM 915 CB ILE A 63 -0.604 2.054 0.501 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.392 3.193 0.274 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.379 1.790 -0.790 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.313 2.838 -0.894 1.00 0.00 C ATOM 0 H ILE A 63 0.226 2.279 2.735 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.125 3.359 1.373 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.066 1.152 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.141 4.120 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.980 3.362 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.683 1.511 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.090 0.979 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.917 2.692 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.023 3.649 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.856 1.921 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.718 2.691 -1.795 1.00 0.00 H new ATOM 930 N GLU A 64 -3.732 1.431 1.135 1.00 0.00 N ATOM 931 CA GLU A 64 -4.787 0.389 1.290 1.00 0.00 C ATOM 932 C GLU A 64 -5.007 -0.338 -0.039 1.00 0.00 C ATOM 933 O GLU A 64 -5.164 0.276 -1.075 1.00 0.00 O ATOM 934 CB GLU A 64 -6.046 1.157 1.697 1.00 0.00 C ATOM 935 CG GLU A 64 -6.114 1.256 3.222 1.00 0.00 C ATOM 936 CD GLU A 64 -7.570 1.419 3.659 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.281 2.171 3.013 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.951 0.789 4.633 1.00 0.00 O ATOM 0 H GLU A 64 -3.953 2.178 0.476 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.517 -0.368 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.034 2.154 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.933 0.651 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.686 0.362 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.522 2.103 3.569 1.00 0.00 H new ATOM 945 N PHE A 65 -5.018 -1.643 -0.017 1.00 0.00 N ATOM 946 CA PHE A 65 -5.226 -2.408 -1.281 1.00 0.00 C ATOM 947 C PHE A 65 -6.336 -1.762 -2.116 1.00 0.00 C ATOM 948 O PHE A 65 -6.291 -1.761 -3.329 1.00 0.00 O ATOM 949 CB PHE A 65 -5.639 -3.810 -0.833 1.00 0.00 C ATOM 950 CG PHE A 65 -5.773 -4.704 -2.041 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.711 -4.822 -2.947 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.959 -5.417 -2.257 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.835 -5.652 -4.067 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.083 -6.246 -3.378 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.021 -6.365 -4.283 1.00 0.00 C ATOM 0 H PHE A 65 -4.892 -2.212 0.820 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.331 -2.426 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.897 -4.217 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.584 -3.767 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.796 -4.272 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.778 -5.327 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.016 -5.743 -4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.998 -6.794 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.116 -7.006 -5.147 1.00 0.00 H new ATOM 965 N SER A 66 -7.329 -1.212 -1.473 1.00 0.00 N ATOM 966 CA SER A 66 -8.440 -0.567 -2.231 1.00 0.00 C ATOM 967 C SER A 66 -7.921 0.661 -2.984 1.00 0.00 C ATOM 968 O SER A 66 -7.650 0.609 -4.167 1.00 0.00 O ATOM 969 CB SER A 66 -9.457 -0.155 -1.170 1.00 0.00 C ATOM 970 OG SER A 66 -10.355 0.798 -1.722 1.00 0.00 O ATOM 0 H SER A 66 -7.420 -1.181 -0.458 1.00 0.00 H new ATOM 0 HA SER A 66 -8.876 -1.235 -2.974 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.007 -1.028 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.946 0.269 -0.306 1.00 0.00 H new ATOM 0 HG SER A 66 -11.010 1.062 -1.042 1.00 0.00 H new ATOM 976 N GLU A 67 -7.781 1.768 -2.306 1.00 0.00 N ATOM 977 CA GLU A 67 -7.280 2.998 -2.983 1.00 0.00 C ATOM 978 C GLU A 67 -6.093 2.657 -3.888 1.00 0.00 C ATOM 979 O GLU A 67 -5.901 3.254 -4.929 1.00 0.00 O ATOM 980 CB GLU A 67 -6.841 3.924 -1.848 1.00 0.00 C ATOM 981 CG GLU A 67 -5.582 3.360 -1.187 1.00 0.00 C ATOM 982 CD GLU A 67 -5.161 4.268 -0.029 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.333 5.470 -0.153 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.676 3.746 0.960 1.00 0.00 O ATOM 0 H GLU A 67 -7.992 1.874 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.038 3.460 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.644 4.924 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.640 4.019 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.772 2.351 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.776 3.288 -1.918 1.00 0.00 H new ATOM 991 N PHE A 68 -5.294 1.700 -3.500 1.00 0.00 N ATOM 992 CA PHE A 68 -4.121 1.322 -4.338 1.00 0.00 C ATOM 993 C PHE A 68 -4.573 0.990 -5.762 1.00 0.00 C ATOM 994 O PHE A 68 -4.173 1.628 -6.716 1.00 0.00 O ATOM 995 CB PHE A 68 -3.532 0.085 -3.660 1.00 0.00 C ATOM 996 CG PHE A 68 -2.568 -0.599 -4.601 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.898 0.145 -5.581 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.343 -1.976 -4.492 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.005 -0.491 -6.452 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.450 -2.611 -5.364 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.781 -1.868 -6.344 1.00 0.00 C ATOM 0 H PHE A 68 -5.403 1.164 -2.639 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.393 2.129 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.018 0.371 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.330 -0.602 -3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.070 1.208 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.858 -2.549 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.489 0.082 -7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.277 -3.674 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.092 -2.358 -7.017 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.405 -0.004 -5.914 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.881 -0.377 -7.276 1.00 0.00 C ATOM 1013 C LEU A 69 -6.926 0.630 -7.765 1.00 0.00 C ATOM 1014 O LEU A 69 -6.969 0.977 -8.929 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.506 -1.764 -7.110 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.442 -2.837 -7.347 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.177 -2.487 -6.562 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.973 -4.192 -6.874 1.00 0.00 C ATOM 0 H LEU A 69 -5.776 -0.574 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.075 -0.379 -8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.925 -1.868 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.328 -1.890 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.208 -2.886 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.420 -3.253 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.798 -1.521 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.411 -2.438 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.216 -4.958 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.207 -4.140 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.875 -4.444 -7.432 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.767 1.101 -6.886 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.807 2.084 -7.303 1.00 0.00 C ATOM 1032 C ALA A 70 -8.160 3.250 -8.056 1.00 0.00 C ATOM 1033 O ALA A 70 -8.790 3.910 -8.858 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.437 2.572 -5.998 1.00 0.00 C ATOM 0 H ALA A 70 -7.779 0.848 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.546 1.644 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.216 3.302 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.873 1.727 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.672 3.036 -5.376 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.906 3.508 -7.803 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.220 4.631 -8.504 1.00 0.00 C ATOM 1042 C LEU A 71 -5.261 4.084 -9.565 1.00 0.00 C ATOM 1043 O LEU A 71 -5.156 4.616 -10.653 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.445 5.368 -7.410 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.367 6.375 -6.722 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.663 5.680 -6.304 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.668 6.939 -5.483 1.00 0.00 C ATOM 0 H LEU A 71 -6.327 2.990 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.922 5.287 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.058 4.656 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.586 5.881 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.598 7.187 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.320 6.399 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.161 5.277 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.434 4.868 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.324 7.657 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.437 6.127 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.744 7.435 -5.781 1.00 0.00 H new ATOM 1059 N MET A 72 -4.563 3.027 -9.258 1.00 0.00 N ATOM 1060 CA MET A 72 -3.612 2.447 -10.250 1.00 0.00 C ATOM 1061 C MET A 72 -4.319 2.216 -11.589 1.00 0.00 C ATOM 1062 O MET A 72 -3.695 2.158 -12.630 1.00 0.00 O ATOM 1063 CB MET A 72 -3.167 1.116 -9.642 1.00 0.00 C ATOM 1064 CG MET A 72 -1.640 1.059 -9.597 1.00 0.00 C ATOM 1065 SD MET A 72 -0.974 1.402 -11.245 1.00 0.00 S ATOM 1066 CE MET A 72 -0.526 -0.300 -11.666 1.00 0.00 C ATOM 0 H MET A 72 -4.609 2.539 -8.364 1.00 0.00 H new ATOM 0 HA MET A 72 -2.768 3.108 -10.447 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.575 1.009 -8.637 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.555 0.287 -10.233 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.259 1.787 -8.881 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.312 0.076 -9.258 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.497 -0.325 -12.042 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.601 -0.926 -10.777 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.204 -0.676 -12.433 1.00 0.00 H new ATOM 1076 N SER A 73 -5.618 2.085 -11.569 1.00 0.00 N ATOM 1077 CA SER A 73 -6.363 1.859 -12.841 1.00 0.00 C ATOM 1078 C SER A 73 -6.106 3.010 -13.817 1.00 0.00 C ATOM 1079 O SER A 73 -6.384 2.911 -14.996 1.00 0.00 O ATOM 1080 CB SER A 73 -7.836 1.820 -12.434 1.00 0.00 C ATOM 1081 OG SER A 73 -8.174 3.036 -11.781 1.00 0.00 O ATOM 0 H SER A 73 -6.195 2.125 -10.729 1.00 0.00 H new ATOM 0 HA SER A 73 -6.054 0.943 -13.344 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.465 1.679 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.020 0.974 -11.771 1.00 0.00 H new ATOM 0 HG SER A 73 -8.273 2.874 -10.820 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.575 4.101 -13.336 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.300 5.257 -14.238 1.00 0.00 C ATOM 1089 C ARG A 74 -4.689 4.768 -15.554 1.00 0.00 C ATOM 1090 O ARG A 74 -5.047 5.223 -16.623 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.302 6.126 -13.474 1.00 0.00 C ATOM 1092 CG ARG A 74 -4.063 7.427 -14.243 1.00 0.00 C ATOM 1093 CD ARG A 74 -5.113 8.463 -13.836 1.00 0.00 C ATOM 1094 NE ARG A 74 -4.336 9.587 -13.245 1.00 0.00 N ATOM 1095 CZ ARG A 74 -4.845 10.788 -13.214 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -5.670 11.122 -12.260 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -4.530 11.654 -14.138 1.00 0.00 N ATOM 0 H ARG A 74 -5.320 4.242 -12.359 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.206 5.806 -14.494 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.684 6.346 -12.477 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.362 5.590 -13.344 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.063 7.806 -14.034 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.116 7.242 -15.316 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.695 8.795 -14.696 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.818 8.048 -13.115 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.405 9.418 -12.864 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.917 10.444 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.068 12.061 -12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.886 11.392 -14.884 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.928 12.593 -14.114 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.771 3.843 -15.485 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.139 3.326 -16.733 1.00 0.00 C ATOM 1113 C GLN A 75 -2.401 2.015 -16.448 1.00 0.00 C ATOM 1114 O GLN A 75 -1.203 1.997 -16.241 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.152 4.416 -17.157 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.174 4.692 -16.014 1.00 0.00 C ATOM 1117 CD GLN A 75 -0.539 6.070 -16.208 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -0.527 6.880 -15.302 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -0.007 6.375 -17.362 1.00 0.00 N ATOM 0 H GLN A 75 -3.431 3.423 -14.620 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.872 3.115 -17.511 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.608 4.102 -18.048 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.690 5.327 -17.417 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.695 4.651 -15.057 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.401 3.924 -15.989 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.016 5.696 -18.123 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.418 7.292 -17.501 1.00 0.00 H new ATOM 1128 N LEU A 76 -3.106 0.917 -16.435 1.00 0.00 N ATOM 1129 CA LEU A 76 -2.445 -0.391 -16.163 1.00 0.00 C ATOM 1130 C LEU A 76 -1.949 -1.014 -17.471 1.00 0.00 C ATOM 1131 O LEU A 76 -0.852 -1.533 -17.547 1.00 0.00 O ATOM 1132 CB LEU A 76 -3.532 -1.262 -15.533 1.00 0.00 C ATOM 1133 CG LEU A 76 -2.898 -2.224 -14.529 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.621 -2.112 -13.186 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -3.017 -3.657 -15.052 1.00 0.00 C ATOM 0 H LEU A 76 -4.111 0.869 -16.601 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.578 -0.288 -15.511 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.271 -0.635 -15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.058 -1.822 -16.307 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.846 -1.969 -14.398 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.168 -2.798 -12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.538 -1.091 -12.812 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.673 -2.366 -13.317 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.565 -4.344 -14.337 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.069 -3.910 -15.183 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.502 -3.739 -16.009 1.00 0.00 H new ATOM 1147 N LYS A 77 -2.748 -0.969 -18.502 1.00 0.00 N ATOM 1148 CA LYS A 77 -2.322 -1.558 -19.803 1.00 0.00 C ATOM 1149 C LYS A 77 -3.105 -0.922 -20.955 1.00 0.00 C ATOM 1150 O LYS A 77 -2.983 -1.407 -22.067 1.00 0.00 O ATOM 1151 CB LYS A 77 -2.651 -3.047 -19.689 1.00 0.00 C ATOM 1152 CG LYS A 77 -1.362 -3.840 -19.462 1.00 0.00 C ATOM 1153 CD LYS A 77 -1.214 -4.899 -20.556 1.00 0.00 C ATOM 1154 CE LYS A 77 -1.623 -6.265 -20.003 1.00 0.00 C ATOM 1155 NZ LYS A 77 -0.340 -6.956 -19.697 1.00 0.00 N ATOM 1156 OXT LYS A 77 -3.813 0.040 -20.704 1.00 0.00 O ATOM 0 H LYS A 77 -3.678 -0.550 -18.499 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.265 -1.388 -20.007 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.344 -3.215 -18.864 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.147 -3.391 -20.597 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.503 -3.169 -19.472 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.383 -4.316 -18.481 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.836 -4.641 -21.413 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.183 -4.931 -20.908 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.238 -6.161 -19.109 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.210 -6.826 -20.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.538 -7.902 -19.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.222 -7.047 -20.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.194 -6.403 -18.997 1.00 0.00 H new TER 1170 LYS A 77