USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -154:sc= 0.184 (180deg=0.0328) USER MOD Set 2.1: A 2 ASN : amide:sc= 0.345 K(o=0.72,f=-0.68) USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0.371 K(o=0.72,f=-2.5) USER MOD Single : A 1 PHE N :NH3+ -111:sc= 0.0217 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.665 K(o=0.66,f=-0.63) USER MOD Single : A 6 LYS NZ :NH3+ 144:sc= 1.16 (180deg=0.485) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 137:sc= 0.963 (180deg=-0.341) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= 0.0798 (180deg=0) USER MOD Single : A 24 SER OG : rot 17:sc= 0.0049 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 1.45 (180deg=1.05) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 39 SER OG : rot -160:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 44 SER OG : rot -142:sc= 0.468 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 1.51 (180deg=1.26) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 0.79 (180deg=0.433) USER MOD Single : A 59 THR OG1 : rot 55:sc= 0.401 USER MOD Single : A 62 TYR OH : rot -27:sc= 0.0465 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 1 (180deg=0.428) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= 2.11 (180deg=1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -11.487 8.990 -3.516 1.00 0.00 N ATOM 2 CA PHE A 1 -11.475 10.472 -3.613 1.00 0.00 C ATOM 3 C PHE A 1 -10.091 11.042 -4.052 1.00 0.00 C ATOM 4 O PHE A 1 -9.063 10.354 -4.052 1.00 0.00 O ATOM 5 CB PHE A 1 -11.990 11.090 -2.284 1.00 0.00 C ATOM 6 CG PHE A 1 -13.524 11.227 -2.245 1.00 0.00 C ATOM 7 CD1 PHE A 1 -14.157 12.297 -2.904 1.00 0.00 C ATOM 8 CD2 PHE A 1 -14.319 10.286 -1.575 1.00 0.00 C ATOM 9 CE1 PHE A 1 -15.549 12.411 -2.902 1.00 0.00 C ATOM 10 CE2 PHE A 1 -15.712 10.403 -1.572 1.00 0.00 C ATOM 11 CZ PHE A 1 -16.323 11.464 -2.237 1.00 0.00 C ATOM 0 H1 PHE A 1 -12.083 8.597 -4.273 1.00 0.00 H new ATOM 0 H2 PHE A 1 -10.517 8.628 -3.615 1.00 0.00 H new ATOM 0 H3 PHE A 1 -11.870 8.706 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 1 -12.158 10.765 -4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -11.664 10.469 -1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -11.538 12.072 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -13.561 13.037 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -13.850 9.463 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -16.025 13.233 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -16.314 9.671 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 1 -17.399 11.552 -2.237 1.00 0.00 H new ATOM 22 N ASN A 2 -10.081 12.328 -4.461 1.00 0.00 N ATOM 23 CA ASN A 2 -8.849 13.018 -4.932 1.00 0.00 C ATOM 24 C ASN A 2 -7.790 13.258 -3.820 1.00 0.00 C ATOM 25 O ASN A 2 -6.653 12.829 -4.003 1.00 0.00 O ATOM 26 CB ASN A 2 -9.260 14.305 -5.691 1.00 0.00 C ATOM 27 CG ASN A 2 -8.112 14.982 -6.436 1.00 0.00 C ATOM 28 OD1 ASN A 2 -7.396 15.826 -5.904 1.00 0.00 O ATOM 29 ND2 ASN A 2 -7.862 14.623 -7.673 1.00 0.00 N ATOM 0 H ASN A 2 -10.914 12.917 -4.477 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.326 12.355 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.046 14.058 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.685 15.013 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.082 15.044 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.447 13.923 -8.129 1.00 0.00 H new ATOM 36 N VAL A 3 -8.136 13.932 -2.714 1.00 0.00 N ATOM 37 CA VAL A 3 -7.199 14.119 -1.570 1.00 0.00 C ATOM 38 C VAL A 3 -7.460 13.050 -0.479 1.00 0.00 C ATOM 39 O VAL A 3 -8.513 13.054 0.166 1.00 0.00 O ATOM 40 CB VAL A 3 -7.205 15.609 -1.109 1.00 0.00 C ATOM 41 CG1 VAL A 3 -8.460 16.106 -0.382 1.00 0.00 C ATOM 42 CG2 VAL A 3 -5.961 15.925 -0.246 1.00 0.00 C ATOM 0 H VAL A 3 -9.052 14.360 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.167 13.939 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.192 16.155 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.335 17.156 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.326 15.998 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.613 15.518 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.988 16.970 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.959 15.286 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.058 15.743 -0.829 1.00 0.00 H new ATOM 52 N LYS A 4 -6.513 12.116 -0.286 1.00 0.00 N ATOM 53 CA LYS A 4 -6.604 11.112 0.805 1.00 0.00 C ATOM 54 C LYS A 4 -5.199 10.835 1.413 1.00 0.00 C ATOM 55 O LYS A 4 -4.283 10.366 0.727 1.00 0.00 O ATOM 56 CB LYS A 4 -7.275 9.815 0.275 1.00 0.00 C ATOM 57 CG LYS A 4 -7.763 8.906 1.426 1.00 0.00 C ATOM 58 CD LYS A 4 -8.406 7.611 0.907 1.00 0.00 C ATOM 59 CE LYS A 4 -9.135 6.797 1.998 1.00 0.00 C ATOM 60 NZ LYS A 4 -8.204 6.211 3.009 1.00 0.00 N ATOM 0 H LYS A 4 -5.677 12.030 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.228 11.507 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.119 10.078 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.566 9.267 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.922 8.658 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.485 9.450 2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.115 7.859 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.633 6.988 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.854 7.441 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.702 5.995 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.750 5.677 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.533 5.573 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.680 6.975 3.482 1.00 0.00 H new ATOM 74 N GLN A 5 -5.073 11.077 2.723 1.00 0.00 N ATOM 75 CA GLN A 5 -3.822 10.846 3.487 1.00 0.00 C ATOM 76 C GLN A 5 -3.388 9.345 3.565 1.00 0.00 C ATOM 77 O GLN A 5 -4.163 8.415 3.308 1.00 0.00 O ATOM 78 CB GLN A 5 -4.019 11.451 4.905 1.00 0.00 C ATOM 79 CG GLN A 5 -3.817 12.979 5.017 1.00 0.00 C ATOM 80 CD GLN A 5 -4.803 13.875 4.283 1.00 0.00 C ATOM 81 OE1 GLN A 5 -5.987 13.582 4.136 1.00 0.00 O ATOM 82 NE2 GLN A 5 -4.357 15.000 3.783 1.00 0.00 N ATOM 0 H GLN A 5 -5.835 11.441 3.294 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.004 11.336 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.026 11.211 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.326 10.961 5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.844 13.245 6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.816 13.213 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.376 15.256 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.990 15.621 3.279 1.00 0.00 H new ATOM 91 N LYS A 6 -2.099 9.138 3.854 1.00 0.00 N ATOM 92 CA LYS A 6 -1.420 7.840 3.636 1.00 0.00 C ATOM 93 C LYS A 6 -1.840 6.716 4.635 1.00 0.00 C ATOM 94 O LYS A 6 -2.343 6.966 5.734 1.00 0.00 O ATOM 95 CB LYS A 6 0.111 8.050 3.634 1.00 0.00 C ATOM 96 CG LYS A 6 0.727 9.099 2.698 1.00 0.00 C ATOM 97 CD LYS A 6 0.468 9.008 1.197 1.00 0.00 C ATOM 98 CE LYS A 6 -0.883 9.486 0.668 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.715 9.987 -0.720 1.00 0.00 N ATOM 0 H LYS A 6 -1.492 9.858 4.245 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.747 7.477 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.407 8.305 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.572 7.091 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.381 10.078 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.807 9.075 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.245 9.579 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.592 7.967 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.604 8.669 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.278 10.276 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.557 9.745 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.594 11.020 -0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.124 9.547 -1.149 1.00 0.00 H new ATOM 113 N SER A 7 -1.697 5.459 4.199 1.00 0.00 N ATOM 114 CA SER A 7 -2.088 4.280 5.019 1.00 0.00 C ATOM 115 C SER A 7 -1.148 3.102 4.667 1.00 0.00 C ATOM 116 O SER A 7 -1.253 2.548 3.572 1.00 0.00 O ATOM 117 CB SER A 7 -3.572 3.920 4.771 1.00 0.00 C ATOM 118 OG SER A 7 -4.431 4.989 5.171 1.00 0.00 O ATOM 0 H SER A 7 -1.314 5.220 3.284 1.00 0.00 H new ATOM 0 HA SER A 7 -1.987 4.508 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.725 3.701 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.828 3.016 5.324 1.00 0.00 H new ATOM 0 HG SER A 7 -5.364 4.739 5.003 1.00 0.00 H new ATOM 124 N GLU A 8 -0.232 2.759 5.583 1.00 0.00 N ATOM 125 CA GLU A 8 0.807 1.724 5.339 1.00 0.00 C ATOM 126 C GLU A 8 0.543 0.497 6.265 1.00 0.00 C ATOM 127 O GLU A 8 0.748 0.578 7.480 1.00 0.00 O ATOM 128 CB GLU A 8 2.230 2.310 5.537 1.00 0.00 C ATOM 129 CG GLU A 8 2.593 3.421 4.528 1.00 0.00 C ATOM 130 CD GLU A 8 4.065 3.775 4.504 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.504 4.610 5.323 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.795 3.259 3.628 1.00 0.00 O ATOM 0 H GLU A 8 -0.182 3.182 6.510 1.00 0.00 H new ATOM 0 HA GLU A 8 0.750 1.388 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.311 2.710 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.959 1.504 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.290 3.104 3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.019 4.316 4.767 1.00 0.00 H new ATOM 139 N ILE A 9 0.048 -0.619 5.698 1.00 0.00 N ATOM 140 CA ILE A 9 -0.402 -1.798 6.492 1.00 0.00 C ATOM 141 C ILE A 9 0.537 -3.017 6.161 1.00 0.00 C ATOM 142 O ILE A 9 0.923 -3.273 5.015 1.00 0.00 O ATOM 143 CB ILE A 9 -1.913 -2.142 6.236 1.00 0.00 C ATOM 144 CG1 ILE A 9 -2.901 -0.978 6.548 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.382 -3.378 7.052 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.253 -0.114 5.336 1.00 0.00 C ATOM 0 H ILE A 9 -0.054 -0.738 4.690 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.327 -1.560 7.553 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.944 -2.347 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.819 -1.396 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.465 -0.343 7.319 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.433 -3.576 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.786 -4.247 6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.257 -3.180 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.945 0.672 5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.345 0.336 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.720 -0.734 4.571 1.00 0.00 H new ATOM 158 N THR A 10 0.825 -3.790 7.212 1.00 0.00 N ATOM 159 CA THR A 10 1.676 -5.006 7.151 1.00 0.00 C ATOM 160 C THR A 10 1.048 -6.211 6.382 1.00 0.00 C ATOM 161 O THR A 10 -0.165 -6.294 6.156 1.00 0.00 O ATOM 162 CB THR A 10 1.975 -5.328 8.652 1.00 0.00 C ATOM 163 OG1 THR A 10 2.625 -4.221 9.277 1.00 0.00 O ATOM 164 CG2 THR A 10 2.889 -6.504 8.950 1.00 0.00 C ATOM 0 H THR A 10 0.473 -3.595 8.149 1.00 0.00 H new ATOM 0 HA THR A 10 2.578 -4.823 6.566 1.00 0.00 H new ATOM 0 HB THR A 10 0.979 -5.566 9.027 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.805 -4.435 10.216 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.007 -6.609 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.453 -7.416 8.542 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.864 -6.332 8.494 1.00 0.00 H new ATOM 172 N ALA A 11 1.917 -7.156 5.991 1.00 0.00 N ATOM 173 CA ALA A 11 1.524 -8.383 5.276 1.00 0.00 C ATOM 174 C ALA A 11 0.553 -9.349 6.011 1.00 0.00 C ATOM 175 O ALA A 11 0.539 -9.460 7.238 1.00 0.00 O ATOM 176 CB ALA A 11 2.829 -9.107 4.896 1.00 0.00 C ATOM 0 H ALA A 11 2.920 -7.091 6.163 1.00 0.00 H new ATOM 0 HA ALA A 11 0.932 -8.070 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.592 -10.027 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.431 -8.461 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.389 -9.346 5.800 1.00 0.00 H new ATOM 182 N LEU A 12 -0.258 -10.039 5.200 1.00 0.00 N ATOM 183 CA LEU A 12 -1.267 -11.014 5.685 1.00 0.00 C ATOM 184 C LEU A 12 -1.084 -12.379 4.949 1.00 0.00 C ATOM 185 O LEU A 12 -0.558 -12.462 3.833 1.00 0.00 O ATOM 186 CB LEU A 12 -2.650 -10.365 5.407 1.00 0.00 C ATOM 187 CG LEU A 12 -3.856 -10.914 6.199 1.00 0.00 C ATOM 188 CD1 LEU A 12 -3.759 -10.602 7.699 1.00 0.00 C ATOM 189 CD2 LEU A 12 -5.142 -10.259 5.649 1.00 0.00 C ATOM 0 H LEU A 12 -0.240 -9.943 4.185 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.165 -11.232 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.570 -9.297 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.866 -10.472 4.344 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.869 -11.997 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.630 -11.009 8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.854 -11.053 8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.723 -9.522 7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.005 -10.636 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.079 -9.177 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.250 -10.501 4.592 1.00 0.00 H new ATOM 201 N VAL A 13 -1.550 -13.449 5.598 1.00 0.00 N ATOM 202 CA VAL A 13 -1.533 -14.824 5.033 1.00 0.00 C ATOM 203 C VAL A 13 -2.488 -15.018 3.803 1.00 0.00 C ATOM 204 O VAL A 13 -3.599 -14.478 3.777 1.00 0.00 O ATOM 205 CB VAL A 13 -1.844 -15.886 6.137 1.00 0.00 C ATOM 206 CG1 VAL A 13 -0.700 -16.037 7.158 1.00 0.00 C ATOM 207 CG2 VAL A 13 -3.176 -15.713 6.890 1.00 0.00 C ATOM 0 H VAL A 13 -1.953 -13.399 6.534 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.520 -14.975 4.659 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.945 -16.799 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.972 -16.787 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.209 -16.348 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.527 -15.082 7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.282 -16.507 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.187 -14.746 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.003 -15.764 6.182 1.00 0.00 H new ATOM 217 N LYS A 14 -2.036 -15.786 2.792 1.00 0.00 N ATOM 218 CA LYS A 14 -2.604 -15.668 1.421 1.00 0.00 C ATOM 219 C LYS A 14 -4.091 -16.114 1.211 1.00 0.00 C ATOM 220 O LYS A 14 -4.686 -16.874 1.986 1.00 0.00 O ATOM 221 CB LYS A 14 -1.581 -16.214 0.379 1.00 0.00 C ATOM 222 CG LYS A 14 -1.790 -17.615 -0.214 1.00 0.00 C ATOM 223 CD LYS A 14 -1.196 -17.750 -1.631 1.00 0.00 C ATOM 224 CE LYS A 14 -2.206 -17.651 -2.803 1.00 0.00 C ATOM 225 NZ LYS A 14 -3.112 -16.465 -2.776 1.00 0.00 N ATOM 0 H LYS A 14 -1.296 -16.482 2.887 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.736 -14.601 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.550 -15.508 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.597 -16.200 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.331 -18.356 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.857 -17.837 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.440 -16.975 -1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.684 -18.710 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.648 -17.638 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.818 -18.553 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.186 -16.063 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.055 -16.756 -2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.727 -15.749 -2.128 1.00 0.00 H new ATOM 239 N GLU A 15 -4.636 -15.647 0.083 1.00 0.00 N ATOM 240 CA GLU A 15 -6.054 -15.821 -0.299 1.00 0.00 C ATOM 241 C GLU A 15 -6.263 -17.197 -1.013 1.00 0.00 C ATOM 242 O GLU A 15 -5.727 -17.427 -2.103 1.00 0.00 O ATOM 243 CB GLU A 15 -6.433 -14.654 -1.263 1.00 0.00 C ATOM 244 CG GLU A 15 -6.288 -13.207 -0.745 1.00 0.00 C ATOM 245 CD GLU A 15 -4.888 -12.615 -0.610 1.00 0.00 C ATOM 246 OE1 GLU A 15 -3.887 -13.237 -1.038 1.00 0.00 O ATOM 247 OE2 GLU A 15 -4.781 -11.511 -0.039 1.00 0.00 O ATOM 0 H GLU A 15 -4.098 -15.126 -0.609 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.687 -15.806 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.821 -14.750 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.470 -14.797 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.858 -12.559 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.764 -13.157 0.234 1.00 0.00 H new ATOM 254 N VAL A 16 -6.979 -18.116 -0.360 1.00 0.00 N ATOM 255 CA VAL A 16 -7.157 -19.523 -0.847 1.00 0.00 C ATOM 256 C VAL A 16 -8.612 -19.976 -0.459 1.00 0.00 C ATOM 257 O VAL A 16 -9.078 -19.686 0.650 1.00 0.00 O ATOM 258 CB VAL A 16 -6.096 -20.520 -0.250 1.00 0.00 C ATOM 259 CG1 VAL A 16 -6.158 -21.912 -0.920 1.00 0.00 C ATOM 260 CG2 VAL A 16 -4.636 -20.044 -0.360 1.00 0.00 C ATOM 0 H VAL A 16 -7.458 -17.926 0.520 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.007 -19.542 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.375 -20.571 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.407 -22.564 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.148 -22.344 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.963 -21.811 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.975 -20.793 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.378 -19.900 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.519 -19.101 0.175 1.00 0.00 H new ATOM 270 N THR A 17 -9.312 -20.703 -1.349 1.00 0.00 N ATOM 271 CA THR A 17 -10.671 -21.255 -1.042 1.00 0.00 C ATOM 272 C THR A 17 -10.619 -22.424 -0.003 1.00 0.00 C ATOM 273 O THR A 17 -11.226 -22.229 1.054 1.00 0.00 O ATOM 274 CB THR A 17 -11.431 -21.560 -2.360 1.00 0.00 C ATOM 275 OG1 THR A 17 -11.573 -20.368 -3.130 1.00 0.00 O ATOM 276 CG2 THR A 17 -12.849 -22.089 -2.173 1.00 0.00 C ATOM 0 H THR A 17 -8.973 -20.928 -2.284 1.00 0.00 H new ATOM 0 HA THR A 17 -11.264 -20.498 -0.528 1.00 0.00 H new ATOM 0 HB THR A 17 -10.827 -22.327 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.052 -20.570 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.300 -22.273 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.818 -23.019 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.443 -21.353 -1.631 1.00 0.00 H new ATOM 284 N PRO A 18 -9.927 -23.589 -0.178 1.00 0.00 N ATOM 285 CA PRO A 18 -9.712 -24.559 0.947 1.00 0.00 C ATOM 286 C PRO A 18 -8.754 -24.056 2.077 1.00 0.00 C ATOM 287 O PRO A 18 -7.961 -23.140 1.823 1.00 0.00 O ATOM 288 CB PRO A 18 -9.180 -25.804 0.191 1.00 0.00 C ATOM 289 CG PRO A 18 -8.461 -25.241 -1.054 1.00 0.00 C ATOM 290 CD PRO A 18 -9.301 -24.014 -1.445 1.00 0.00 C ATOM 0 HA PRO A 18 -10.619 -24.743 1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.497 -26.381 0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.994 -26.471 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.431 -24.964 -0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.426 -25.974 -1.860 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.680 -23.224 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.050 -24.266 -2.195 1.00 0.00 H new ATOM 298 N PRO A 19 -8.772 -24.600 3.329 1.00 0.00 N ATOM 299 CA PRO A 19 -8.012 -23.998 4.482 1.00 0.00 C ATOM 300 C PRO A 19 -6.479 -24.237 4.445 1.00 0.00 C ATOM 301 O PRO A 19 -5.935 -25.157 5.060 1.00 0.00 O ATOM 302 CB PRO A 19 -8.732 -24.627 5.706 1.00 0.00 C ATOM 303 CG PRO A 19 -9.238 -25.994 5.192 1.00 0.00 C ATOM 304 CD PRO A 19 -9.686 -25.685 3.754 1.00 0.00 C ATOM 0 HA PRO A 19 -8.034 -22.908 4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.052 -24.746 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.556 -24.001 6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.452 -26.749 5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.061 -26.372 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.597 -26.560 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.728 -25.368 3.718 1.00 0.00 H new ATOM 312 N ARG A 20 -5.799 -23.365 3.690 1.00 0.00 N ATOM 313 CA ARG A 20 -4.350 -23.504 3.385 1.00 0.00 C ATOM 314 C ARG A 20 -3.736 -22.078 3.271 1.00 0.00 C ATOM 315 O ARG A 20 -4.233 -21.243 2.510 1.00 0.00 O ATOM 316 CB ARG A 20 -4.232 -24.310 2.066 1.00 0.00 C ATOM 317 CG ARG A 20 -2.823 -24.863 1.776 1.00 0.00 C ATOM 318 CD ARG A 20 -2.810 -25.648 0.451 1.00 0.00 C ATOM 319 NE ARG A 20 -1.515 -26.356 0.300 1.00 0.00 N ATOM 320 CZ ARG A 20 -1.232 -27.237 -0.657 1.00 0.00 C ATOM 321 NH1 ARG A 20 -2.038 -27.518 -1.650 1.00 0.00 N ATOM 322 NH2 ARG A 20 -0.089 -27.857 -0.606 1.00 0.00 N ATOM 0 H ARG A 20 -6.228 -22.541 3.269 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.804 -24.035 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.935 -25.142 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.535 -23.671 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.108 -24.042 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.506 -25.512 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.631 -26.365 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.963 -24.968 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.785 -26.152 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.942 -27.051 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.762 -28.204 -2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.563 -27.663 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.155 -28.537 -1.326 1.00 0.00 H new ATOM 336 N LYS A 21 -2.682 -21.787 4.046 1.00 0.00 N ATOM 337 CA LYS A 21 -2.184 -20.394 4.218 1.00 0.00 C ATOM 338 C LYS A 21 -0.647 -20.294 3.961 1.00 0.00 C ATOM 339 O LYS A 21 0.146 -20.981 4.609 1.00 0.00 O ATOM 340 CB LYS A 21 -2.536 -19.897 5.646 1.00 0.00 C ATOM 341 CG LYS A 21 -4.034 -19.684 5.965 1.00 0.00 C ATOM 342 CD LYS A 21 -4.743 -18.692 5.028 1.00 0.00 C ATOM 343 CE LYS A 21 -6.208 -18.448 5.410 1.00 0.00 C ATOM 344 NZ LYS A 21 -6.773 -17.455 4.452 1.00 0.00 N ATOM 0 H LYS A 21 -2.152 -22.487 4.566 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.672 -19.758 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.136 -20.614 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.016 -18.954 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.545 -20.645 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.129 -19.328 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.207 -17.743 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.698 -19.070 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.773 -19.380 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.279 -18.075 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.956 -16.559 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.094 -17.291 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.663 -17.821 4.058 1.00 0.00 H new ATOM 358 N ALA A 22 -0.250 -19.414 3.027 1.00 0.00 N ATOM 359 CA ALA A 22 1.174 -19.176 2.687 1.00 0.00 C ATOM 360 C ALA A 22 1.711 -17.787 3.180 1.00 0.00 C ATOM 361 O ALA A 22 0.924 -16.827 3.204 1.00 0.00 O ATOM 362 CB ALA A 22 1.299 -19.233 1.150 1.00 0.00 C ATOM 0 H ALA A 22 -0.901 -18.846 2.484 1.00 0.00 H new ATOM 0 HA ALA A 22 1.769 -19.939 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.336 -19.062 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.981 -20.214 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.668 -18.464 0.705 1.00 0.00 H new ATOM 368 N PRO A 23 3.029 -17.597 3.485 1.00 0.00 N ATOM 369 CA PRO A 23 3.597 -16.246 3.809 1.00 0.00 C ATOM 370 C PRO A 23 3.858 -15.347 2.564 1.00 0.00 C ATOM 371 O PRO A 23 4.994 -15.085 2.156 1.00 0.00 O ATOM 372 CB PRO A 23 4.880 -16.637 4.591 1.00 0.00 C ATOM 373 CG PRO A 23 5.344 -17.953 3.924 1.00 0.00 C ATOM 374 CD PRO A 23 4.025 -18.686 3.619 1.00 0.00 C ATOM 0 HA PRO A 23 2.916 -15.610 4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.643 -15.862 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.672 -16.780 5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.917 -17.763 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.983 -18.536 4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.098 -19.274 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.757 -19.375 4.420 1.00 0.00 H new ATOM 382 N SER A 24 2.762 -14.841 1.993 1.00 0.00 N ATOM 383 CA SER A 24 2.785 -13.922 0.839 1.00 0.00 C ATOM 384 C SER A 24 3.283 -12.504 1.204 1.00 0.00 C ATOM 385 O SER A 24 2.842 -11.917 2.200 1.00 0.00 O ATOM 386 CB SER A 24 1.353 -13.871 0.237 1.00 0.00 C ATOM 387 OG SER A 24 0.334 -13.533 1.183 1.00 0.00 O ATOM 0 H SER A 24 1.820 -15.057 2.319 1.00 0.00 H new ATOM 0 HA SER A 24 3.498 -14.301 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.337 -13.143 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.120 -14.841 -0.201 1.00 0.00 H new ATOM 0 HG SER A 24 0.745 -13.135 1.979 1.00 0.00 H new ATOM 393 N LYS A 25 4.184 -11.945 0.377 1.00 0.00 N ATOM 394 CA LYS A 25 4.737 -10.584 0.606 1.00 0.00 C ATOM 395 C LYS A 25 3.682 -9.489 0.242 1.00 0.00 C ATOM 396 O LYS A 25 3.592 -9.008 -0.890 1.00 0.00 O ATOM 397 CB LYS A 25 6.066 -10.351 -0.152 1.00 0.00 C ATOM 398 CG LYS A 25 7.208 -11.360 0.057 1.00 0.00 C ATOM 399 CD LYS A 25 7.662 -11.547 1.514 1.00 0.00 C ATOM 400 CE LYS A 25 8.856 -12.516 1.605 1.00 0.00 C ATOM 401 NZ LYS A 25 9.254 -12.715 3.029 1.00 0.00 N ATOM 0 H LYS A 25 4.549 -12.407 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 25 4.965 -10.506 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.840 -10.320 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.438 -9.365 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.892 -12.327 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.066 -11.041 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.940 -10.582 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.833 -11.930 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.591 -13.474 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.698 -12.121 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.060 -13.370 3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.526 -11.801 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.453 -13.112 3.561 1.00 0.00 H new ATOM 415 N ALA A 26 2.858 -9.165 1.242 1.00 0.00 N ATOM 416 CA ALA A 26 1.645 -8.354 1.055 1.00 0.00 C ATOM 417 C ALA A 26 1.857 -6.932 1.603 1.00 0.00 C ATOM 418 O ALA A 26 2.308 -6.725 2.733 1.00 0.00 O ATOM 419 CB ALA A 26 0.489 -9.109 1.718 1.00 0.00 C ATOM 0 H ALA A 26 3.011 -9.457 2.207 1.00 0.00 H new ATOM 0 HA ALA A 26 1.406 -8.216 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.433 -8.539 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.374 -10.085 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.702 -9.241 2.779 1.00 0.00 H new ATOM 425 N LYS A 27 1.579 -5.945 0.755 1.00 0.00 N ATOM 426 CA LYS A 27 1.861 -4.526 1.065 1.00 0.00 C ATOM 427 C LYS A 27 0.656 -3.645 0.647 1.00 0.00 C ATOM 428 O LYS A 27 0.147 -3.755 -0.474 1.00 0.00 O ATOM 429 CB LYS A 27 3.169 -4.111 0.348 1.00 0.00 C ATOM 430 CG LYS A 27 4.421 -4.185 1.243 1.00 0.00 C ATOM 431 CD LYS A 27 5.219 -5.486 1.099 1.00 0.00 C ATOM 432 CE LYS A 27 5.805 -6.020 2.417 1.00 0.00 C ATOM 433 NZ LYS A 27 6.764 -5.058 3.040 1.00 0.00 N ATOM 0 H LYS A 27 1.156 -6.093 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 27 2.001 -4.386 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.316 -4.754 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.060 -3.092 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.073 -3.344 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.117 -4.071 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.572 -6.249 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.033 -5.322 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.994 -6.226 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.313 -6.966 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.133 -5.460 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.552 -4.880 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.275 -4.163 3.244 1.00 0.00 H new ATOM 447 N ARG A 28 0.216 -2.774 1.564 1.00 0.00 N ATOM 448 CA ARG A 28 -0.934 -1.870 1.327 1.00 0.00 C ATOM 449 C ARG A 28 -0.420 -0.441 1.653 1.00 0.00 C ATOM 450 O ARG A 28 -0.259 -0.115 2.830 1.00 0.00 O ATOM 451 CB ARG A 28 -2.164 -2.223 2.205 1.00 0.00 C ATOM 452 CG ARG A 28 -2.584 -3.698 2.196 1.00 0.00 C ATOM 453 CD ARG A 28 -3.782 -3.992 3.105 1.00 0.00 C ATOM 454 NE ARG A 28 -4.225 -5.401 2.923 1.00 0.00 N ATOM 455 CZ ARG A 28 -3.664 -6.478 3.475 1.00 0.00 C ATOM 456 NH1 ARG A 28 -2.654 -6.429 4.308 1.00 0.00 N ATOM 457 NH2 ARG A 28 -4.137 -7.646 3.160 1.00 0.00 N ATOM 0 H ARG A 28 0.638 -2.671 2.487 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.280 -1.961 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.950 -1.931 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.010 -1.621 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.830 -3.992 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.739 -4.311 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.510 -3.819 4.146 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.601 -3.312 2.872 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.033 -5.558 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.251 -5.529 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.270 -7.291 4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.917 -7.721 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.729 -8.488 3.566 1.00 0.00 H new ATOM 471 N GLU A 29 -0.098 0.351 0.622 1.00 0.00 N ATOM 472 CA GLU A 29 0.554 1.670 0.812 1.00 0.00 C ATOM 473 C GLU A 29 0.016 2.672 -0.256 1.00 0.00 C ATOM 474 O GLU A 29 -0.153 2.337 -1.437 1.00 0.00 O ATOM 475 CB GLU A 29 2.104 1.658 0.700 1.00 0.00 C ATOM 476 CG GLU A 29 2.881 0.825 1.730 1.00 0.00 C ATOM 477 CD GLU A 29 3.199 -0.590 1.325 1.00 0.00 C ATOM 478 OE1 GLU A 29 3.719 -0.787 0.206 1.00 0.00 O ATOM 479 OE2 GLU A 29 2.945 -1.520 2.117 1.00 0.00 O ATOM 0 H GLU A 29 -0.274 0.109 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 29 0.308 1.964 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.367 1.295 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.454 2.688 0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.817 1.338 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.305 0.797 2.655 1.00 0.00 H new ATOM 486 N ALA A 30 -0.180 3.918 0.179 1.00 0.00 N ATOM 487 CA ALA A 30 -0.410 5.046 -0.737 1.00 0.00 C ATOM 488 C ALA A 30 0.905 5.778 -1.152 1.00 0.00 C ATOM 489 O ALA A 30 1.627 6.235 -0.261 1.00 0.00 O ATOM 490 CB ALA A 30 -1.360 5.975 0.024 1.00 0.00 C ATOM 0 H ALA A 30 -0.185 4.176 1.166 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.829 4.704 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.585 6.847 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.284 5.443 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.888 6.297 0.952 1.00 0.00 H new ATOM 496 N PRO A 31 1.230 5.973 -2.456 1.00 0.00 N ATOM 497 CA PRO A 31 2.313 6.924 -2.872 1.00 0.00 C ATOM 498 C PRO A 31 1.755 8.350 -3.104 1.00 0.00 C ATOM 499 O PRO A 31 1.524 9.075 -2.131 1.00 0.00 O ATOM 500 CB PRO A 31 2.943 6.158 -4.056 1.00 0.00 C ATOM 501 CG PRO A 31 1.771 5.396 -4.709 1.00 0.00 C ATOM 502 CD PRO A 31 0.846 5.033 -3.535 1.00 0.00 C ATOM 0 HA PRO A 31 3.085 7.163 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.412 6.842 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.718 5.472 -3.714 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.256 6.015 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.119 4.504 -5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.203 5.148 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.984 3.997 -3.226 1.00 0.00 H new ATOM 510 N ILE A 32 1.525 8.754 -4.357 1.00 0.00 N ATOM 511 CA ILE A 32 1.176 10.146 -4.724 1.00 0.00 C ATOM 512 C ILE A 32 -0.017 10.166 -5.729 1.00 0.00 C ATOM 513 O ILE A 32 -0.021 9.436 -6.727 1.00 0.00 O ATOM 514 CB ILE A 32 2.379 10.966 -5.334 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.227 10.242 -6.397 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.286 11.461 -4.195 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.153 11.153 -7.197 1.00 0.00 C ATOM 0 H ILE A 32 1.574 8.125 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 32 0.898 10.633 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 32 1.912 11.790 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.827 9.477 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.559 9.728 -7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.118 12.028 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.712 12.100 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.672 10.606 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.711 10.559 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.561 11.903 -7.722 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.849 11.648 -6.521 1.00 0.00 H new ATOM 529 N LYS A 33 -0.969 11.088 -5.511 1.00 0.00 N ATOM 530 CA LYS A 33 -2.070 11.334 -6.491 1.00 0.00 C ATOM 531 C LYS A 33 -1.660 12.053 -7.818 1.00 0.00 C ATOM 532 O LYS A 33 -2.326 11.848 -8.834 1.00 0.00 O ATOM 533 CB LYS A 33 -3.202 12.082 -5.752 1.00 0.00 C ATOM 534 CG LYS A 33 -4.517 12.275 -6.527 1.00 0.00 C ATOM 535 CD LYS A 33 -5.299 11.012 -6.920 1.00 0.00 C ATOM 536 CE LYS A 33 -5.773 10.149 -5.741 1.00 0.00 C ATOM 537 NZ LYS A 33 -7.124 9.605 -6.035 1.00 0.00 N ATOM 0 H LYS A 33 -1.010 11.676 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.403 10.359 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.424 11.541 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.829 13.064 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.173 12.904 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.292 12.829 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.169 11.309 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.671 10.401 -7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.071 9.333 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.800 10.745 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.590 9.334 -5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.693 10.330 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.036 8.770 -6.648 1.00 0.00 H new ATOM 551 N TYR A 34 -0.596 12.872 -7.812 1.00 0.00 N ATOM 552 CA TYR A 34 -0.064 13.509 -9.051 1.00 0.00 C ATOM 553 C TYR A 34 0.474 12.522 -10.146 1.00 0.00 C ATOM 554 O TYR A 34 0.227 12.758 -11.329 1.00 0.00 O ATOM 555 CB TYR A 34 0.995 14.552 -8.610 1.00 0.00 C ATOM 556 CG TYR A 34 1.348 15.591 -9.685 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.565 16.744 -9.847 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.454 15.403 -10.528 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.879 17.683 -10.831 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.762 16.341 -11.517 1.00 0.00 C ATOM 561 CZ TYR A 34 1.976 17.482 -11.665 1.00 0.00 C ATOM 562 OH TYR A 34 2.295 18.421 -12.598 1.00 0.00 O ATOM 0 H TYR A 34 -0.079 13.116 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.896 13.986 -9.570 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.628 15.073 -7.725 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.904 14.027 -8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.288 16.906 -9.205 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.073 14.526 -10.411 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.270 18.567 -10.946 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.610 16.181 -12.167 1.00 0.00 H new ATOM 0 HH TYR A 34 3.087 18.130 -13.097 1.00 0.00 H new ATOM 572 N TRP A 35 1.184 11.451 -9.754 1.00 0.00 N ATOM 573 CA TRP A 35 1.582 10.364 -10.691 1.00 0.00 C ATOM 574 C TRP A 35 0.473 9.293 -10.940 1.00 0.00 C ATOM 575 O TRP A 35 0.260 8.935 -12.100 1.00 0.00 O ATOM 576 CB TRP A 35 2.897 9.758 -10.160 1.00 0.00 C ATOM 577 CG TRP A 35 3.732 8.949 -11.190 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.718 7.544 -11.384 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.739 9.418 -12.039 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.674 7.131 -12.327 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.295 8.300 -12.718 1.00 0.00 C ATOM 582 CE3 TRP A 35 5.264 10.731 -12.270 1.00 0.00 C ATOM 583 CZ2 TRP A 35 6.373 8.487 -13.631 1.00 0.00 C ATOM 584 CZ3 TRP A 35 6.314 10.884 -13.170 1.00 0.00 C ATOM 585 CH2 TRP A 35 6.863 9.775 -13.843 1.00 0.00 C ATOM 0 H TRP A 35 1.499 11.306 -8.795 1.00 0.00 H new ATOM 0 HA TRP A 35 1.734 10.789 -11.683 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.517 10.566 -9.772 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.661 9.106 -9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.050 6.870 -10.867 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.866 6.183 -12.650 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.852 11.586 -11.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.804 7.644 -14.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.715 11.870 -13.356 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.678 9.925 -14.536 1.00 0.00 H new ATOM 596 N LEU A 36 -0.197 8.763 -9.896 1.00 0.00 N ATOM 597 CA LEU A 36 -1.197 7.678 -10.052 1.00 0.00 C ATOM 598 C LEU A 36 -2.640 8.157 -9.669 1.00 0.00 C ATOM 599 O LEU A 36 -2.783 8.778 -8.609 1.00 0.00 O ATOM 600 CB LEU A 36 -0.822 6.473 -9.140 1.00 0.00 C ATOM 601 CG LEU A 36 0.539 5.786 -9.401 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.728 4.654 -8.376 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.666 5.213 -10.814 1.00 0.00 C ATOM 0 H LEU A 36 -0.065 9.068 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.191 7.383 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.835 6.816 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.604 5.720 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 36 1.311 6.549 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.685 4.162 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.711 5.069 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.078 3.928 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.644 4.746 -10.931 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.114 4.469 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.559 6.016 -11.543 1.00 0.00 H new ATOM 615 N PRO A 37 -3.745 7.833 -10.399 1.00 0.00 N ATOM 616 CA PRO A 37 -5.131 8.241 -9.977 1.00 0.00 C ATOM 617 C PRO A 37 -5.748 7.616 -8.687 1.00 0.00 C ATOM 618 O PRO A 37 -6.831 8.042 -8.274 1.00 0.00 O ATOM 619 CB PRO A 37 -5.961 7.934 -11.250 1.00 0.00 C ATOM 620 CG PRO A 37 -5.204 6.777 -11.939 1.00 0.00 C ATOM 621 CD PRO A 37 -3.722 7.112 -11.691 1.00 0.00 C ATOM 0 HA PRO A 37 -5.119 9.280 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.981 7.646 -10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.028 8.807 -11.900 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.473 5.811 -11.511 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.431 6.728 -13.004 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.110 6.212 -11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.311 7.730 -12.489 1.00 0.00 H new ATOM 629 N HIS A 38 -5.076 6.663 -8.027 1.00 0.00 N ATOM 630 CA HIS A 38 -5.513 6.074 -6.743 1.00 0.00 C ATOM 631 C HIS A 38 -4.291 5.957 -5.780 1.00 0.00 C ATOM 632 O HIS A 38 -3.375 5.164 -6.026 1.00 0.00 O ATOM 633 CB HIS A 38 -6.119 4.697 -7.095 1.00 0.00 C ATOM 634 CG HIS A 38 -6.899 4.040 -5.954 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.330 3.144 -5.065 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.265 4.226 -5.635 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.403 2.848 -4.270 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.603 3.453 -4.537 1.00 0.00 N ATOM 0 H HIS A 38 -4.200 6.270 -8.371 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.253 6.686 -6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.782 4.814 -7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.315 4.028 -7.402 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -8.944 4.875 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.306 2.152 -3.450 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.499 3.360 -4.059 1.00 0.00 H new ATOM 647 N SER A 39 -4.310 6.699 -4.664 1.00 0.00 N ATOM 648 CA SER A 39 -3.239 6.622 -3.637 1.00 0.00 C ATOM 649 C SER A 39 -3.647 5.590 -2.541 1.00 0.00 C ATOM 650 O SER A 39 -4.313 5.924 -1.559 1.00 0.00 O ATOM 651 CB SER A 39 -2.934 8.028 -3.045 1.00 0.00 C ATOM 652 OG SER A 39 -2.764 9.023 -4.053 1.00 0.00 O ATOM 0 H SER A 39 -5.052 7.362 -4.441 1.00 0.00 H new ATOM 0 HA SER A 39 -2.314 6.276 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.747 8.323 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.031 7.974 -2.437 1.00 0.00 H new ATOM 0 HG SER A 39 -2.276 9.786 -3.680 1.00 0.00 H new ATOM 658 N GLY A 40 -3.259 4.326 -2.751 1.00 0.00 N ATOM 659 CA GLY A 40 -3.577 3.217 -1.825 1.00 0.00 C ATOM 660 C GLY A 40 -3.704 1.883 -2.568 1.00 0.00 C ATOM 661 O GLY A 40 -4.815 1.511 -2.951 1.00 0.00 O ATOM 0 H GLY A 40 -2.716 4.037 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.797 3.140 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.509 3.434 -1.303 1.00 0.00 H new ATOM 665 N ALA A 41 -2.581 1.189 -2.785 1.00 0.00 N ATOM 666 CA ALA A 41 -2.561 -0.070 -3.562 1.00 0.00 C ATOM 667 C ALA A 41 -2.236 -1.298 -2.672 1.00 0.00 C ATOM 668 O ALA A 41 -1.159 -1.369 -2.068 1.00 0.00 O ATOM 669 CB ALA A 41 -1.511 0.098 -4.675 1.00 0.00 C ATOM 0 H ALA A 41 -1.667 1.474 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.548 -0.259 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.465 -0.812 -5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.788 0.937 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.535 0.288 -4.229 1.00 0.00 H new ATOM 675 N THR A 42 -3.160 -2.270 -2.633 1.00 0.00 N ATOM 676 CA THR A 42 -2.930 -3.602 -2.008 1.00 0.00 C ATOM 677 C THR A 42 -2.356 -4.619 -3.034 1.00 0.00 C ATOM 678 O THR A 42 -3.061 -5.057 -3.946 1.00 0.00 O ATOM 679 CB THR A 42 -4.214 -4.088 -1.278 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.942 -5.314 -0.597 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.479 -4.327 -2.086 1.00 0.00 C ATOM 0 H THR A 42 -4.093 -2.164 -3.032 1.00 0.00 H new ATOM 0 HA THR A 42 -2.161 -3.511 -1.240 1.00 0.00 H new ATOM 0 HB THR A 42 -4.438 -3.233 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.751 -5.619 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.277 -4.662 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.779 -3.400 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.290 -5.091 -2.840 1.00 0.00 H new ATOM 689 N TRP A 43 -1.081 -5.000 -2.869 1.00 0.00 N ATOM 690 CA TRP A 43 -0.453 -6.070 -3.694 1.00 0.00 C ATOM 691 C TRP A 43 -0.106 -7.272 -2.765 1.00 0.00 C ATOM 692 O TRP A 43 0.833 -7.176 -1.972 1.00 0.00 O ATOM 693 CB TRP A 43 0.779 -5.460 -4.405 1.00 0.00 C ATOM 694 CG TRP A 43 1.352 -6.276 -5.615 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.424 -7.692 -5.769 1.00 0.00 C ATOM 696 CD2 TRP A 43 1.972 -5.771 -6.766 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.039 -8.065 -6.969 1.00 0.00 N ATOM 698 CE2 TRP A 43 2.387 -6.870 -7.564 1.00 0.00 C ATOM 699 CE3 TRP A 43 2.266 -4.432 -7.191 1.00 0.00 C ATOM 700 CZ2 TRP A 43 3.127 -6.644 -8.762 1.00 0.00 C ATOM 701 CZ3 TRP A 43 2.983 -4.242 -8.369 1.00 0.00 C ATOM 702 CH2 TRP A 43 3.415 -5.335 -9.142 1.00 0.00 C ATOM 0 H TRP A 43 -0.456 -4.590 -2.175 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.121 -6.451 -4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.513 -4.464 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.573 -5.335 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.047 -8.396 -5.042 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.195 -9.008 -7.324 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.936 -3.586 -6.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.459 -7.475 -9.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.212 -3.238 -8.695 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.979 -5.156 -10.045 1.00 0.00 H new ATOM 713 N SER A 44 -0.849 -8.387 -2.878 1.00 0.00 N ATOM 714 CA SER A 44 -0.573 -9.631 -2.110 1.00 0.00 C ATOM 715 C SER A 44 0.242 -10.654 -2.954 1.00 0.00 C ATOM 716 O SER A 44 -0.328 -11.423 -3.734 1.00 0.00 O ATOM 717 CB SER A 44 -1.928 -10.195 -1.621 1.00 0.00 C ATOM 718 OG SER A 44 -1.715 -11.208 -0.640 1.00 0.00 O ATOM 0 H SER A 44 -1.655 -8.459 -3.499 1.00 0.00 H new ATOM 0 HA SER A 44 0.054 -9.415 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.533 -9.392 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.484 -10.606 -2.463 1.00 0.00 H new ATOM 0 HG SER A 44 -2.375 -11.922 -0.759 1.00 0.00 H new ATOM 724 N GLY A 45 1.582 -10.641 -2.826 1.00 0.00 N ATOM 725 CA GLY A 45 2.449 -11.563 -3.603 1.00 0.00 C ATOM 726 C GLY A 45 3.896 -11.086 -3.782 1.00 0.00 C ATOM 727 O GLY A 45 4.802 -11.599 -3.123 1.00 0.00 O ATOM 0 H GLY A 45 2.088 -10.013 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.460 -12.534 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.006 -11.713 -4.588 1.00 0.00 H new ATOM 731 N ARG A 46 4.100 -10.137 -4.706 1.00 0.00 N ATOM 732 CA ARG A 46 5.439 -9.536 -4.971 1.00 0.00 C ATOM 733 C ARG A 46 5.767 -8.416 -3.945 1.00 0.00 C ATOM 734 O ARG A 46 4.909 -7.604 -3.580 1.00 0.00 O ATOM 735 CB ARG A 46 5.408 -9.017 -6.430 1.00 0.00 C ATOM 736 CG ARG A 46 6.725 -8.528 -7.067 1.00 0.00 C ATOM 737 CD ARG A 46 7.012 -7.032 -6.859 1.00 0.00 C ATOM 738 NE ARG A 46 8.107 -6.611 -7.768 1.00 0.00 N ATOM 739 CZ ARG A 46 8.792 -5.474 -7.675 1.00 0.00 C ATOM 740 NH1 ARG A 46 8.690 -4.640 -6.671 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.622 -5.176 -8.631 1.00 0.00 N ATOM 0 H ARG A 46 3.356 -9.759 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 46 6.235 -10.271 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.013 -9.816 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.694 -8.195 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.551 -9.105 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.696 -8.735 -8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.114 -6.447 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.292 -6.844 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 46 8.355 -7.246 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.056 -4.846 -5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.244 -3.784 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.734 -5.807 -9.424 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.161 -4.311 -8.587 1.00 0.00 H new ATOM 755 N GLY A 47 7.044 -8.347 -3.532 1.00 0.00 N ATOM 756 CA GLY A 47 7.515 -7.310 -2.585 1.00 0.00 C ATOM 757 C GLY A 47 7.670 -5.889 -3.152 1.00 0.00 C ATOM 758 O GLY A 47 8.786 -5.424 -3.385 1.00 0.00 O ATOM 0 H GLY A 47 7.771 -8.994 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.819 -7.270 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.478 -7.625 -2.184 1.00 0.00 H new ATOM 762 N LYS A 48 6.543 -5.193 -3.335 1.00 0.00 N ATOM 763 CA LYS A 48 6.524 -3.730 -3.597 1.00 0.00 C ATOM 764 C LYS A 48 6.561 -2.929 -2.265 1.00 0.00 C ATOM 765 O LYS A 48 5.667 -3.080 -1.432 1.00 0.00 O ATOM 766 CB LYS A 48 5.317 -3.394 -4.517 1.00 0.00 C ATOM 767 CG LYS A 48 3.899 -3.495 -3.924 1.00 0.00 C ATOM 768 CD LYS A 48 3.339 -2.153 -3.413 1.00 0.00 C ATOM 769 CE LYS A 48 1.981 -2.322 -2.720 1.00 0.00 C ATOM 770 NZ LYS A 48 1.669 -1.138 -1.879 1.00 0.00 N ATOM 0 H LYS A 48 5.615 -5.616 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 48 7.422 -3.423 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.452 -2.377 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.364 -4.055 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.226 -3.893 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.910 -4.210 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.048 -1.706 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.235 -1.462 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.200 -2.459 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.992 -3.220 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.651 -1.121 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.206 -1.192 -0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.931 -0.271 -2.389 1.00 0.00 H new ATOM 784 N ILE A 49 7.572 -2.079 -2.064 1.00 0.00 N ATOM 785 CA ILE A 49 7.576 -1.087 -0.952 1.00 0.00 C ATOM 786 C ILE A 49 7.834 0.294 -1.652 1.00 0.00 C ATOM 787 O ILE A 49 8.966 0.497 -2.109 1.00 0.00 O ATOM 788 CB ILE A 49 8.657 -1.347 0.160 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.627 -2.761 0.804 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.456 -0.328 1.327 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.390 -3.839 0.033 1.00 0.00 C ATOM 0 H ILE A 49 8.406 -2.047 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 49 6.631 -1.141 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 49 9.610 -1.242 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.040 -2.694 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.588 -3.075 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.204 -0.507 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.563 0.688 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.460 -0.453 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.310 -4.789 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.965 -3.942 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.439 -3.555 -0.047 1.00 0.00 H new ATOM 803 N PRO A 50 6.897 1.273 -1.745 1.00 0.00 N ATOM 804 CA PRO A 50 7.193 2.593 -2.401 1.00 0.00 C ATOM 805 C PRO A 50 7.905 3.668 -1.533 1.00 0.00 C ATOM 806 O PRO A 50 7.695 4.865 -1.717 1.00 0.00 O ATOM 807 CB PRO A 50 5.769 2.990 -2.865 1.00 0.00 C ATOM 808 CG PRO A 50 4.853 2.484 -1.725 1.00 0.00 C ATOM 809 CD PRO A 50 5.501 1.159 -1.283 1.00 0.00 C ATOM 0 HA PRO A 50 7.940 2.514 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.679 4.068 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.515 2.526 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.807 3.199 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.831 2.332 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.448 1.030 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.001 0.301 -1.732 1.00 0.00 H new ATOM 817 N LYS A 51 8.824 3.224 -0.670 1.00 0.00 N ATOM 818 CA LYS A 51 9.717 4.099 0.119 1.00 0.00 C ATOM 819 C LYS A 51 10.879 4.741 -0.688 1.00 0.00 C ATOM 820 O LYS A 51 10.960 5.964 -0.577 1.00 0.00 O ATOM 821 CB LYS A 51 10.179 3.362 1.401 1.00 0.00 C ATOM 822 CG LYS A 51 9.145 3.447 2.553 1.00 0.00 C ATOM 823 CD LYS A 51 9.154 4.806 3.280 1.00 0.00 C ATOM 824 CE LYS A 51 7.933 5.039 4.187 1.00 0.00 C ATOM 825 NZ LYS A 51 6.718 5.402 3.402 1.00 0.00 N ATOM 0 H LYS A 51 8.976 2.231 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 51 9.130 4.967 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.366 2.315 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.125 3.787 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.148 3.264 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.349 2.655 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.060 4.878 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.200 5.603 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.734 4.138 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.156 5.834 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.173 6.121 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.003 5.782 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.130 4.556 3.262 1.00 0.00 H new ATOM 839 N PRO A 52 11.741 4.095 -1.531 1.00 0.00 N ATOM 840 CA PRO A 52 12.620 4.855 -2.489 1.00 0.00 C ATOM 841 C PRO A 52 11.908 5.739 -3.555 1.00 0.00 C ATOM 842 O PRO A 52 12.474 6.760 -3.949 1.00 0.00 O ATOM 843 CB PRO A 52 13.509 3.741 -3.090 1.00 0.00 C ATOM 844 CG PRO A 52 12.636 2.469 -3.023 1.00 0.00 C ATOM 845 CD PRO A 52 11.823 2.632 -1.723 1.00 0.00 C ATOM 0 HA PRO A 52 13.174 5.636 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.795 3.972 -4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.431 3.620 -2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.984 2.388 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.248 1.567 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.833 2.186 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.316 2.146 -0.881 1.00 0.00 H new ATOM 853 N PHE A 53 10.667 5.401 -3.959 1.00 0.00 N ATOM 854 CA PHE A 53 9.805 6.317 -4.747 1.00 0.00 C ATOM 855 C PHE A 53 9.283 7.522 -3.916 1.00 0.00 C ATOM 856 O PHE A 53 9.638 8.641 -4.275 1.00 0.00 O ATOM 857 CB PHE A 53 8.703 5.477 -5.427 1.00 0.00 C ATOM 858 CG PHE A 53 7.776 6.279 -6.357 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.209 6.717 -7.619 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.476 6.607 -5.939 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.349 7.423 -8.463 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.622 7.318 -6.783 1.00 0.00 C ATOM 863 CZ PHE A 53 6.052 7.715 -8.044 1.00 0.00 C ATOM 0 H PHE A 53 10.235 4.500 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 53 10.392 6.800 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.174 4.680 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.099 4.999 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.218 6.506 -7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.135 6.307 -4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.688 7.742 -9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.622 7.561 -6.455 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.381 8.250 -8.699 1.00 0.00 H new ATOM 873 N GLU A 54 8.508 7.332 -2.828 1.00 0.00 N ATOM 874 CA GLU A 54 8.065 8.458 -1.946 1.00 0.00 C ATOM 875 C GLU A 54 9.200 9.353 -1.322 1.00 0.00 C ATOM 876 O GLU A 54 8.975 10.550 -1.116 1.00 0.00 O ATOM 877 CB GLU A 54 7.105 7.891 -0.856 1.00 0.00 C ATOM 878 CG GLU A 54 6.349 8.989 -0.084 1.00 0.00 C ATOM 879 CD GLU A 54 5.367 8.549 0.983 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.752 7.763 1.871 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.225 9.063 0.995 1.00 0.00 O ATOM 0 H GLU A 54 8.171 6.416 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 54 7.549 9.162 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.383 7.225 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.680 7.290 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.088 9.638 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.807 9.597 -0.809 1.00 0.00 H new ATOM 888 N ALA A 55 10.380 8.775 -1.053 1.00 0.00 N ATOM 889 CA ALA A 55 11.606 9.521 -0.708 1.00 0.00 C ATOM 890 C ALA A 55 12.218 10.347 -1.865 1.00 0.00 C ATOM 891 O ALA A 55 12.424 11.541 -1.669 1.00 0.00 O ATOM 892 CB ALA A 55 12.612 8.512 -0.144 1.00 0.00 C ATOM 0 H ALA A 55 10.515 7.764 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 55 11.340 10.279 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.534 9.028 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.192 8.036 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.826 7.753 -0.896 1.00 0.00 H new ATOM 898 N TRP A 56 12.453 9.774 -3.060 1.00 0.00 N ATOM 899 CA TRP A 56 12.859 10.572 -4.258 1.00 0.00 C ATOM 900 C TRP A 56 11.783 11.598 -4.762 1.00 0.00 C ATOM 901 O TRP A 56 12.134 12.735 -5.083 1.00 0.00 O ATOM 902 CB TRP A 56 13.312 9.598 -5.366 1.00 0.00 C ATOM 903 CG TRP A 56 14.363 10.216 -6.343 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.144 11.228 -7.319 1.00 0.00 C ATOM 905 CD2 TRP A 56 15.726 9.914 -6.445 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.323 11.566 -8.004 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.286 10.743 -7.454 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.557 8.977 -5.747 1.00 0.00 C ATOM 909 CZ2 TRP A 56 17.673 10.644 -7.768 1.00 0.00 C ATOM 910 CZ3 TRP A 56 17.907 8.899 -6.079 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.459 9.725 -7.077 1.00 0.00 C ATOM 0 H TRP A 56 12.373 8.772 -3.233 1.00 0.00 H new ATOM 0 HA TRP A 56 13.690 11.212 -3.960 1.00 0.00 H new ATOM 0 HB2 TRP A 56 13.736 8.706 -4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.440 9.278 -5.937 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.184 11.683 -7.511 1.00 0.00 H new ATOM 0 HE1 TRP A 56 15.441 12.262 -8.741 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.143 8.343 -4.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.108 11.273 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.541 8.193 -5.563 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.510 9.644 -7.311 1.00 0.00 H new ATOM 922 N ILE A 57 10.493 11.231 -4.725 1.00 0.00 N ATOM 923 CA ILE A 57 9.355 12.200 -4.807 1.00 0.00 C ATOM 924 C ILE A 57 9.220 13.216 -3.587 1.00 0.00 C ATOM 925 O ILE A 57 8.364 14.104 -3.639 1.00 0.00 O ATOM 926 CB ILE A 57 8.087 11.350 -5.134 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.101 10.672 -6.545 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.724 12.006 -4.933 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.085 11.592 -7.761 1.00 0.00 C ATOM 0 H ILE A 57 10.195 10.260 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 57 9.533 12.922 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 57 8.187 10.596 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.989 10.043 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.237 10.011 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.938 11.300 -5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.611 12.298 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.648 12.889 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.097 10.992 -8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.184 12.205 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.963 12.238 -7.740 1.00 0.00 H new ATOM 941 N GLY A 58 10.084 13.161 -2.564 1.00 0.00 N ATOM 942 CA GLY A 58 10.246 14.239 -1.566 1.00 0.00 C ATOM 943 C GLY A 58 11.609 14.959 -1.484 1.00 0.00 C ATOM 944 O GLY A 58 11.603 16.126 -1.096 1.00 0.00 O ATOM 0 H GLY A 58 10.697 12.363 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.483 14.992 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.032 13.818 -0.584 1.00 0.00 H new ATOM 948 N THR A 59 12.739 14.311 -1.826 1.00 0.00 N ATOM 949 CA THR A 59 14.127 14.877 -1.687 1.00 0.00 C ATOM 950 C THR A 59 14.321 16.358 -2.158 1.00 0.00 C ATOM 951 O THR A 59 14.851 17.182 -1.413 1.00 0.00 O ATOM 952 CB THR A 59 15.134 13.920 -2.425 1.00 0.00 C ATOM 953 OG1 THR A 59 15.022 12.582 -1.957 1.00 0.00 O ATOM 954 CG2 THR A 59 16.607 14.271 -2.244 1.00 0.00 C ATOM 0 H THR A 59 12.731 13.367 -2.213 1.00 0.00 H new ATOM 0 HA THR A 59 14.323 14.925 -0.616 1.00 0.00 H new ATOM 0 HB THR A 59 14.852 14.037 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.094 12.280 -2.047 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.221 13.555 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.792 15.274 -2.628 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.862 14.235 -1.185 1.00 0.00 H new ATOM 962 N ALA A 60 13.848 16.649 -3.376 1.00 0.00 N ATOM 963 CA ALA A 60 13.618 18.039 -3.843 1.00 0.00 C ATOM 964 C ALA A 60 12.141 18.340 -4.269 1.00 0.00 C ATOM 965 O ALA A 60 11.679 19.466 -4.065 1.00 0.00 O ATOM 966 CB ALA A 60 14.600 18.325 -4.985 1.00 0.00 C ATOM 0 H ALA A 60 13.612 15.938 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 60 13.795 18.708 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.451 19.342 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.622 18.215 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.426 17.621 -5.799 1.00 0.00 H new ATOM 972 N ALA A 61 11.405 17.362 -4.826 1.00 0.00 N ATOM 973 CA ALA A 61 9.999 17.530 -5.255 1.00 0.00 C ATOM 974 C ALA A 61 8.934 17.963 -4.217 1.00 0.00 C ATOM 975 O ALA A 61 7.962 18.598 -4.622 1.00 0.00 O ATOM 976 CB ALA A 61 9.605 16.211 -5.926 1.00 0.00 C ATOM 0 H ALA A 61 11.769 16.424 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 61 9.992 18.402 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.571 16.271 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.258 16.027 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.704 15.395 -5.210 1.00 0.00 H new ATOM 982 N TYR A 62 9.128 17.678 -2.920 1.00 0.00 N ATOM 983 CA TYR A 62 8.239 18.159 -1.821 1.00 0.00 C ATOM 984 C TYR A 62 7.857 19.671 -1.835 1.00 0.00 C ATOM 985 O TYR A 62 6.684 19.971 -1.626 1.00 0.00 O ATOM 986 CB TYR A 62 8.846 17.755 -0.457 1.00 0.00 C ATOM 987 CG TYR A 62 7.905 17.823 0.766 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.686 17.110 0.802 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.269 18.578 1.888 1.00 0.00 C ATOM 990 CE1 TYR A 62 5.850 17.184 1.924 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.438 18.631 3.012 1.00 0.00 C ATOM 992 CZ TYR A 62 6.235 17.936 3.032 1.00 0.00 C ATOM 993 OH TYR A 62 5.450 18.034 4.144 1.00 0.00 O ATOM 0 H TYR A 62 9.906 17.106 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 62 7.285 17.663 -1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.223 16.736 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.705 18.398 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.396 16.503 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.200 19.125 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.907 16.658 1.930 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.734 19.216 3.870 1.00 0.00 H new ATOM 0 HH TYR A 62 4.511 17.907 3.894 1.00 0.00 H new ATOM 1003 N THR A 63 8.792 20.590 -2.130 1.00 0.00 N ATOM 1004 CA THR A 63 8.453 22.034 -2.317 1.00 0.00 C ATOM 1005 C THR A 63 7.440 22.352 -3.474 1.00 0.00 C ATOM 1006 O THR A 63 6.516 23.144 -3.272 1.00 0.00 O ATOM 1007 CB THR A 63 9.738 22.890 -2.329 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.387 24.254 -2.114 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.608 22.854 -3.574 1.00 0.00 C ATOM 0 H THR A 63 9.782 20.374 -2.246 1.00 0.00 H new ATOM 0 HA THR A 63 7.870 22.328 -1.444 1.00 0.00 H new ATOM 0 HB THR A 63 10.341 22.438 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.197 24.805 -2.119 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.472 23.504 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.947 21.833 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.030 23.199 -4.432 1.00 0.00 H new ATOM 1017 N ALA A 64 7.578 21.690 -4.642 1.00 0.00 N ATOM 1018 CA ALA A 64 6.550 21.749 -5.716 1.00 0.00 C ATOM 1019 C ALA A 64 5.256 20.919 -5.443 1.00 0.00 C ATOM 1020 O ALA A 64 4.154 21.391 -5.733 1.00 0.00 O ATOM 1021 CB ALA A 64 7.241 21.318 -7.015 1.00 0.00 C ATOM 0 H ALA A 64 8.385 21.110 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 64 6.175 22.771 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.524 21.345 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.066 21.997 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.626 20.304 -6.903 1.00 0.00 H new ATOM 1027 N TRP A 65 5.390 19.710 -4.876 1.00 0.00 N ATOM 1028 CA TRP A 65 4.255 18.897 -4.380 1.00 0.00 C ATOM 1029 C TRP A 65 3.344 19.558 -3.296 1.00 0.00 C ATOM 1030 O TRP A 65 2.121 19.450 -3.397 1.00 0.00 O ATOM 1031 CB TRP A 65 4.838 17.541 -3.898 1.00 0.00 C ATOM 1032 CG TRP A 65 3.955 16.348 -4.349 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.133 15.599 -5.537 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.786 15.848 -3.773 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.101 14.674 -5.733 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.275 14.846 -4.640 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.086 16.181 -2.567 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.069 14.178 -4.312 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.914 15.495 -2.267 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.413 14.504 -3.132 1.00 0.00 C ATOM 0 H TRP A 65 6.296 19.260 -4.745 1.00 0.00 H new ATOM 0 HA TRP A 65 3.561 18.775 -5.212 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.847 17.417 -4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.918 17.545 -2.811 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.966 15.726 -6.212 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.985 14.021 -6.508 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.461 16.948 -1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.665 13.424 -4.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.380 15.726 -1.357 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.499 13.987 -2.873 1.00 0.00 H new ATOM 1051 N LYS A 66 3.933 20.253 -2.316 1.00 0.00 N ATOM 1052 CA LYS A 66 3.204 21.104 -1.340 1.00 0.00 C ATOM 1053 C LYS A 66 2.389 22.301 -1.923 1.00 0.00 C ATOM 1054 O LYS A 66 1.305 22.581 -1.409 1.00 0.00 O ATOM 1055 CB LYS A 66 4.236 21.605 -0.287 1.00 0.00 C ATOM 1056 CG LYS A 66 4.657 20.539 0.745 1.00 0.00 C ATOM 1057 CD LYS A 66 3.605 20.216 1.810 1.00 0.00 C ATOM 1058 CE LYS A 66 3.312 21.350 2.797 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.257 20.868 3.717 1.00 0.00 N ATOM 0 H LYS A 66 4.942 20.247 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 66 2.430 20.471 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.125 21.961 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.813 22.459 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.908 19.621 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.565 20.877 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.676 19.941 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.935 19.342 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.211 21.620 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.982 22.244 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.771 21.682 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.571 20.293 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.688 20.290 4.466 1.00 0.00 H new ATOM 1073 N ALA A 67 2.865 22.963 -2.991 1.00 0.00 N ATOM 1074 CA ALA A 67 2.002 23.836 -3.826 1.00 0.00 C ATOM 1075 C ALA A 67 0.814 23.135 -4.571 1.00 0.00 C ATOM 1076 O ALA A 67 -0.258 23.735 -4.667 1.00 0.00 O ATOM 1077 CB ALA A 67 2.926 24.575 -4.805 1.00 0.00 C ATOM 0 H ALA A 67 3.836 22.915 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 67 1.481 24.515 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.332 25.231 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.648 25.169 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.454 23.850 -5.424 1.00 0.00 H new ATOM 1083 N LYS A 68 0.980 21.898 -5.072 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.118 21.142 -5.735 1.00 0.00 C ATOM 1085 C LYS A 68 -1.165 20.487 -4.766 1.00 0.00 C ATOM 1086 O LYS A 68 -2.361 20.567 -5.048 1.00 0.00 O ATOM 1087 CB LYS A 68 0.518 20.058 -6.648 1.00 0.00 C ATOM 1088 CG LYS A 68 1.323 20.624 -7.843 1.00 0.00 C ATOM 1089 CD LYS A 68 2.508 19.714 -8.214 1.00 0.00 C ATOM 1090 CE LYS A 68 3.250 20.230 -9.456 1.00 0.00 C ATOM 1091 NZ LYS A 68 4.325 19.276 -9.839 1.00 0.00 N ATOM 0 H LYS A 68 1.865 21.392 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.694 21.871 -6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.176 19.433 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.273 19.412 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.665 20.734 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.692 21.619 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.200 19.656 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.147 18.703 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.550 20.353 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.679 21.211 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.074 19.784 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.725 18.841 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.929 18.534 -10.451 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.733 19.808 -3.691 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.640 19.139 -2.714 1.00 0.00 C ATOM 1107 C HIS A 69 -1.212 19.447 -1.222 1.00 0.00 C ATOM 1108 O HIS A 69 -0.022 19.676 -0.984 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.640 17.616 -3.002 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.925 17.039 -3.630 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.438 15.825 -3.207 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.754 17.555 -4.671 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.546 15.705 -3.995 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.824 16.699 -4.890 1.00 0.00 N ATOM 0 H HIS A 69 0.256 19.701 -3.465 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.651 19.530 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.805 17.394 -3.666 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.451 17.091 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.575 18.475 -5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.190 14.842 -3.913 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.604 16.788 -5.541 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.112 19.437 -0.194 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.812 20.058 1.154 1.00 0.00 C ATOM 1125 C PRO A 70 -0.793 19.301 2.034 1.00 0.00 C ATOM 1126 O PRO A 70 0.391 19.632 1.984 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.234 20.273 1.739 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.080 19.147 1.094 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.549 19.117 -0.349 1.00 0.00 C ATOM 0 HA PRO A 70 -1.255 20.992 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.233 20.199 2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.624 21.259 1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.937 18.192 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.146 19.370 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.695 18.140 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.057 19.847 -0.979 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.193 18.304 2.824 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.285 17.237 3.302 1.00 0.00 C ATOM 1139 C ASP A 71 -0.961 15.866 2.973 1.00 0.00 C ATOM 1140 O ASP A 71 -1.422 15.129 3.850 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.022 17.444 4.805 1.00 0.00 C ATOM 1142 CG ASP A 71 1.253 18.208 5.120 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.336 17.850 4.599 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.181 19.219 5.851 1.00 0.00 O ATOM 0 H ASP A 71 -2.153 18.205 3.155 1.00 0.00 H new ATOM 0 HA ASP A 71 0.687 17.261 2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.867 17.978 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.023 16.469 5.291 1.00 0.00 H new ATOM 1149 N GLU A 72 -1.009 15.529 1.673 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.392 14.169 1.228 1.00 0.00 C ATOM 1151 C GLU A 72 -0.196 13.166 1.361 1.00 0.00 C ATOM 1152 O GLU A 72 -0.301 12.211 2.128 1.00 0.00 O ATOM 1153 CB GLU A 72 -1.987 14.202 -0.201 1.00 0.00 C ATOM 1154 CG GLU A 72 -2.876 12.985 -0.500 1.00 0.00 C ATOM 1155 CD GLU A 72 -2.976 12.567 -1.951 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -2.048 11.894 -2.462 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -3.994 12.886 -2.591 1.00 0.00 O ATOM 0 H GLU A 72 -0.790 16.172 0.912 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.176 13.801 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.571 15.114 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.175 14.242 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.501 12.138 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.881 13.198 -0.135 1.00 0.00 H new ATOM 1164 N LYS A 73 0.906 13.390 0.624 1.00 0.00 N ATOM 1165 CA LYS A 73 2.128 12.554 0.690 1.00 0.00 C ATOM 1166 C LYS A 73 2.915 12.711 2.022 1.00 0.00 C ATOM 1167 O LYS A 73 3.131 13.831 2.497 1.00 0.00 O ATOM 1168 CB LYS A 73 2.990 12.919 -0.549 1.00 0.00 C ATOM 1169 CG LYS A 73 4.090 11.889 -0.864 1.00 0.00 C ATOM 1170 CD LYS A 73 5.302 12.448 -1.614 1.00 0.00 C ATOM 1171 CE LYS A 73 6.306 13.284 -0.800 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.226 12.450 0.025 1.00 0.00 N ATOM 0 H LYS A 73 0.979 14.161 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 73 1.851 11.500 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.338 13.018 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.452 13.892 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.432 11.447 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.655 11.084 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.841 11.611 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.937 13.064 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.894 13.899 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.759 13.965 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.019 13.035 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.709 12.067 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.593 11.665 -0.550 1.00 0.00 H new ATOM 1186 N PHE A 74 3.378 11.584 2.591 1.00 0.00 N ATOM 1187 CA PHE A 74 4.197 11.604 3.835 1.00 0.00 C ATOM 1188 C PHE A 74 5.606 12.245 3.601 1.00 0.00 C ATOM 1189 O PHE A 74 6.219 11.931 2.570 1.00 0.00 O ATOM 1190 CB PHE A 74 4.308 10.136 4.328 1.00 0.00 C ATOM 1191 CG PHE A 74 4.839 9.975 5.760 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.960 10.039 6.852 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.210 9.787 6.005 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.440 9.941 8.158 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.689 9.685 7.311 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.805 9.763 8.385 1.00 0.00 C ATOM 0 H PHE A 74 3.205 10.650 2.219 1.00 0.00 H new ATOM 0 HA PHE A 74 3.719 12.227 4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.324 9.672 4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.962 9.588 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.901 10.165 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.898 9.721 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.756 10.003 8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.745 9.546 7.490 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.177 9.685 9.396 1.00 0.00 H new ATOM 1206 N PRO A 75 6.173 13.104 4.493 1.00 0.00 N ATOM 1207 CA PRO A 75 7.516 13.739 4.266 1.00 0.00 C ATOM 1208 C PRO A 75 8.728 12.788 4.458 1.00 0.00 C ATOM 1209 O PRO A 75 9.505 12.878 5.411 1.00 0.00 O ATOM 1210 CB PRO A 75 7.463 14.944 5.242 1.00 0.00 C ATOM 1211 CG PRO A 75 6.561 14.467 6.401 1.00 0.00 C ATOM 1212 CD PRO A 75 5.486 13.623 5.699 1.00 0.00 C ATOM 0 HA PRO A 75 7.685 14.035 3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.458 15.210 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.051 15.829 4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.121 13.879 7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.123 15.307 6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.133 12.813 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.615 14.223 5.436 1.00 0.00 H new ATOM 1220 N ALA A 76 8.878 11.892 3.475 1.00 0.00 N ATOM 1221 CA ALA A 76 9.945 10.881 3.461 1.00 0.00 C ATOM 1222 C ALA A 76 11.270 11.419 2.844 1.00 0.00 C ATOM 1223 O ALA A 76 11.279 12.063 1.789 1.00 0.00 O ATOM 1224 CB ALA A 76 9.410 9.683 2.660 1.00 0.00 C ATOM 0 H ALA A 76 8.261 11.847 2.664 1.00 0.00 H new ATOM 0 HA ALA A 76 10.196 10.595 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.170 8.903 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.514 9.293 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.166 10.002 1.647 1.00 0.00 H new ATOM 1230 N PHE A 77 12.375 11.118 3.527 1.00 0.00 N ATOM 1231 CA PHE A 77 13.751 11.459 3.079 1.00 0.00 C ATOM 1232 C PHE A 77 14.529 10.211 2.532 1.00 0.00 C ATOM 1233 O PHE A 77 14.170 9.082 2.892 1.00 0.00 O ATOM 1234 CB PHE A 77 14.470 12.171 4.261 1.00 0.00 C ATOM 1235 CG PHE A 77 14.833 11.314 5.488 1.00 0.00 C ATOM 1236 CD1 PHE A 77 13.918 11.144 6.542 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.075 10.664 5.563 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.239 10.340 7.636 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.394 9.857 6.655 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.474 9.697 7.691 1.00 0.00 C ATOM 0 H PHE A 77 12.353 10.625 4.419 1.00 0.00 H new ATOM 0 HA PHE A 77 13.712 12.137 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.388 12.617 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.834 12.990 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 77 12.959 11.640 6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.792 10.790 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.530 10.216 8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.351 9.358 6.698 1.00 0.00 H new ATOM 0 HZ PHE A 77 15.719 9.073 8.538 1.00 0.00 H new ATOM 1250 N PRO A 78 15.609 10.334 1.713 1.00 0.00 N ATOM 1251 CA PRO A 78 16.386 9.143 1.229 1.00 0.00 C ATOM 1252 C PRO A 78 17.375 8.583 2.288 1.00 0.00 C ATOM 1253 O PRO A 78 18.531 9.008 2.381 1.00 0.00 O ATOM 1254 CB PRO A 78 17.050 9.714 -0.052 1.00 0.00 C ATOM 1255 CG PRO A 78 17.291 11.206 0.276 1.00 0.00 C ATOM 1256 CD PRO A 78 16.051 11.603 1.095 1.00 0.00 C ATOM 0 HA PRO A 78 15.781 8.258 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.984 9.200 -0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.403 9.597 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.209 11.348 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.382 11.806 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.294 12.351 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.274 12.030 0.461 1.00 0.00 H new ATOM 1264 N GLY A 79 16.892 7.616 3.088 1.00 0.00 N ATOM 1265 CA GLY A 79 17.665 7.046 4.211 1.00 0.00 C ATOM 1266 C GLY A 79 18.361 5.740 3.846 1.00 0.00 C ATOM 1267 O GLY A 79 18.099 4.670 4.391 1.00 0.00 O ATOM 0 H GLY A 79 15.963 7.209 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.411 7.771 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.997 6.873 5.055 1.00 0.00 H new TER 1271 GLY A 79