USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 32 ASN : amide:sc= 0.824 K(o=1.8,f=-2.7) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -166:sc= 0.947 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0502) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.18) USER MOD Single : A 18 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.74 K(o=0.74,f=-0.019) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.19) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -174:sc= -0.452 (180deg=-0.509) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00329 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.038 12.512 -4.478 1.00 0.00 N ATOM 35 CA LEU A 3 -9.017 12.962 -5.427 1.00 0.00 C ATOM 36 C LEU A 3 -9.385 12.704 -6.896 1.00 0.00 C ATOM 37 O LEU A 3 -10.433 12.130 -7.209 1.00 0.00 O ATOM 38 CB LEU A 3 -7.691 12.276 -5.043 1.00 0.00 C ATOM 39 CG LEU A 3 -7.088 12.776 -3.720 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.704 12.158 -3.514 1.00 0.00 C ATOM 41 CD2 LEU A 3 -6.923 14.294 -3.720 1.00 0.00 C ATOM 0 HA LEU A 3 -8.927 14.046 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.857 11.201 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.967 12.434 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.771 12.485 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.282 12.516 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.792 11.072 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.051 12.445 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.494 14.613 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.261 14.588 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.896 14.766 -3.856 1.00 0.00 H new ATOM 52 N THR A 4 -8.498 13.143 -7.796 1.00 0.00 N ATOM 53 CA THR A 4 -8.541 12.833 -9.239 1.00 0.00 C ATOM 54 C THR A 4 -8.178 11.369 -9.528 1.00 0.00 C ATOM 55 O THR A 4 -7.998 10.559 -8.613 1.00 0.00 O ATOM 56 CB THR A 4 -7.639 13.780 -10.060 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.287 13.605 -9.704 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.016 15.251 -9.901 1.00 0.00 C ATOM 0 H THR A 4 -7.710 13.738 -7.540 1.00 0.00 H new ATOM 0 HA THR A 4 -9.573 12.991 -9.552 1.00 0.00 H new ATOM 0 HB THR A 4 -7.790 13.514 -11.106 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.728 14.211 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.346 15.865 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.043 15.401 -10.234 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.929 15.538 -8.853 1.00 0.00 H new ATOM 66 N GLN A 5 -8.055 11.014 -10.813 1.00 0.00 N ATOM 67 CA GLN A 5 -7.615 9.698 -11.289 1.00 0.00 C ATOM 68 C GLN A 5 -6.301 9.193 -10.667 1.00 0.00 C ATOM 69 O GLN A 5 -6.081 7.981 -10.611 1.00 0.00 O ATOM 70 CB GLN A 5 -7.520 9.721 -12.821 1.00 0.00 C ATOM 71 CG GLN A 5 -6.403 10.611 -13.396 1.00 0.00 C ATOM 72 CD GLN A 5 -6.396 10.565 -14.924 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.785 9.703 -15.548 1.00 0.00 O ATOM 74 NE2 GLN A 5 -7.072 11.480 -15.591 1.00 0.00 N ATOM 0 H GLN A 5 -8.266 11.658 -11.575 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.369 8.983 -10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.368 8.701 -13.175 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.475 10.059 -13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.543 11.639 -13.060 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.437 10.280 -13.014 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.585 12.203 -15.087 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.082 11.464 -16.611 1.00 0.00 H new ATOM 81 N GLY A 6 -5.435 10.096 -10.184 1.00 0.00 N ATOM 82 CA GLY A 6 -4.217 9.716 -9.491 1.00 0.00 C ATOM 83 C GLY A 6 -3.478 10.841 -8.775 1.00 0.00 C ATOM 84 O GLY A 6 -2.252 10.811 -8.783 1.00 0.00 O ATOM 0 H GLY A 6 -5.568 11.104 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.464 8.946 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.538 9.263 -10.213 1.00 0.00 H new ATOM 88 N GLU A 7 -4.151 11.797 -8.120 1.00 0.00 N ATOM 89 CA GLU A 7 -3.508 12.876 -7.360 1.00 0.00 C ATOM 90 C GLU A 7 -2.617 12.361 -6.213 1.00 0.00 C ATOM 91 O GLU A 7 -1.762 13.090 -5.727 1.00 0.00 O ATOM 92 CB GLU A 7 -4.572 13.861 -6.832 1.00 0.00 C ATOM 93 CG GLU A 7 -4.353 15.260 -7.410 1.00 0.00 C ATOM 94 CD GLU A 7 -5.280 16.322 -6.785 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.520 16.137 -6.776 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.769 17.373 -6.324 1.00 0.00 O ATOM 0 H GLU A 7 -5.170 11.843 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.843 13.397 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.567 13.505 -7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.528 13.902 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.315 15.554 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.516 15.232 -8.487 1.00 0.00 H new ATOM 101 N LEU A 8 -2.758 11.092 -5.816 1.00 0.00 N ATOM 102 CA LEU A 8 -1.861 10.398 -4.889 1.00 0.00 C ATOM 103 C LEU A 8 -0.994 9.322 -5.586 1.00 0.00 C ATOM 104 O LEU A 8 0.055 8.939 -5.075 1.00 0.00 O ATOM 105 CB LEU A 8 -2.717 9.888 -3.709 1.00 0.00 C ATOM 106 CG LEU A 8 -3.565 8.632 -4.009 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.879 7.410 -3.394 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.980 8.680 -3.430 1.00 0.00 C ATOM 0 H LEU A 8 -3.524 10.502 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.110 11.082 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.057 9.670 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.383 10.690 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.645 8.581 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.471 6.518 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.885 7.295 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.792 7.546 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.509 7.762 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.926 8.779 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.515 9.534 -3.846 1.00 0.00 H new ATOM 119 N MET A 9 -1.379 8.872 -6.787 1.00 0.00 N ATOM 120 CA MET A 9 -0.722 7.798 -7.549 1.00 0.00 C ATOM 121 C MET A 9 0.603 8.270 -8.140 1.00 0.00 C ATOM 122 O MET A 9 1.667 7.738 -7.823 1.00 0.00 O ATOM 123 CB MET A 9 -1.697 7.223 -8.613 1.00 0.00 C ATOM 124 CG MET A 9 -1.138 6.995 -10.020 1.00 0.00 C ATOM 125 SD MET A 9 -2.245 6.119 -11.155 1.00 0.00 S ATOM 126 CE MET A 9 -1.142 5.979 -12.588 1.00 0.00 C ATOM 0 H MET A 9 -2.187 9.259 -7.274 1.00 0.00 H new ATOM 0 HA MET A 9 -0.471 6.981 -6.872 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.079 6.272 -8.243 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.548 7.899 -8.693 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.888 7.962 -10.456 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.208 6.432 -9.938 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.659 5.460 -13.396 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.853 6.975 -12.923 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.251 5.417 -12.308 1.00 0.00 H new ATOM 134 N LYS A 10 0.558 9.306 -8.977 1.00 0.00 N ATOM 135 CA LYS A 10 1.714 9.832 -9.728 1.00 0.00 C ATOM 136 C LYS A 10 2.673 10.669 -8.852 1.00 0.00 C ATOM 137 O LYS A 10 3.454 11.474 -9.361 1.00 0.00 O ATOM 138 CB LYS A 10 1.174 10.530 -10.999 1.00 0.00 C ATOM 139 CG LYS A 10 0.225 11.716 -10.734 1.00 0.00 C ATOM 140 CD LYS A 10 -0.974 11.782 -11.694 1.00 0.00 C ATOM 141 CE LYS A 10 -1.793 13.065 -11.501 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.074 14.275 -11.981 1.00 0.00 N ATOM 0 H LYS A 10 -0.303 9.821 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 10 2.366 9.021 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.020 10.885 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.649 9.792 -11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.145 11.651 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.790 12.645 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.618 11.730 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.615 10.915 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.739 12.972 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.033 13.184 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.720 15.090 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.264 14.468 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.734 14.115 -12.951 1.00 0.00 H new ATOM 152 N LEU A 11 2.580 10.486 -7.529 1.00 0.00 N ATOM 153 CA LEU A 11 3.192 11.240 -6.437 1.00 0.00 C ATOM 154 C LEU A 11 3.877 10.304 -5.442 1.00 0.00 C ATOM 155 O LEU A 11 4.970 10.630 -4.973 1.00 0.00 O ATOM 156 CB LEU A 11 2.130 12.060 -5.664 1.00 0.00 C ATOM 157 CG LEU A 11 1.472 13.253 -6.375 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.517 14.247 -6.876 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.605 12.822 -7.555 1.00 0.00 C ATOM 0 H LEU A 11 2.012 9.722 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 11 3.925 11.909 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.338 11.376 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.596 12.432 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 11 0.836 13.729 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.019 15.079 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.095 14.623 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.184 13.750 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.163 13.702 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.219 12.294 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.188 12.162 -7.202 1.00 0.00 H new ATOM 170 N ILE A 12 3.289 9.134 -5.134 1.00 0.00 N ATOM 171 CA ILE A 12 3.898 8.228 -4.145 1.00 0.00 C ATOM 172 C ILE A 12 5.255 7.712 -4.624 1.00 0.00 C ATOM 173 O ILE A 12 6.185 7.581 -3.831 1.00 0.00 O ATOM 174 CB ILE A 12 2.989 7.043 -3.760 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.318 6.329 -4.954 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.925 7.496 -2.755 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.271 4.812 -4.720 1.00 0.00 C ATOM 0 H ILE A 12 2.416 8.800 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 12 4.039 8.828 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 12 3.652 6.304 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.307 6.712 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.869 6.544 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.290 6.650 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.411 7.878 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.316 8.282 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.795 4.327 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.285 4.430 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.699 4.601 -3.816 1.00 0.00 H new ATOM 188 N LYS A 13 5.411 7.499 -5.935 1.00 0.00 N ATOM 189 CA LYS A 13 6.688 7.049 -6.523 1.00 0.00 C ATOM 190 C LYS A 13 7.644 8.197 -6.870 1.00 0.00 C ATOM 191 O LYS A 13 8.834 7.991 -7.076 1.00 0.00 O ATOM 192 CB LYS A 13 6.405 6.099 -7.701 1.00 0.00 C ATOM 193 CG LYS A 13 5.439 6.604 -8.788 1.00 0.00 C ATOM 194 CD LYS A 13 5.962 7.691 -9.741 1.00 0.00 C ATOM 195 CE LYS A 13 7.279 7.305 -10.424 1.00 0.00 C ATOM 196 NZ LYS A 13 7.683 8.315 -11.432 1.00 0.00 N ATOM 0 H LYS A 13 4.665 7.631 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 13 7.233 6.490 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.355 5.857 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.005 5.169 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.129 5.749 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.546 6.988 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.209 7.891 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.106 8.617 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.063 7.204 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.170 6.333 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.531 7.984 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.909 8.455 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.893 9.216 -10.956 1.00 0.00 H new ATOM 206 N GLU A 14 7.136 9.420 -6.879 1.00 0.00 N ATOM 207 CA GLU A 14 7.806 10.638 -7.341 1.00 0.00 C ATOM 208 C GLU A 14 8.507 11.375 -6.192 1.00 0.00 C ATOM 209 O GLU A 14 9.427 12.161 -6.431 1.00 0.00 O ATOM 210 CB GLU A 14 6.764 11.541 -8.026 1.00 0.00 C ATOM 211 CG GLU A 14 7.351 12.641 -8.928 1.00 0.00 C ATOM 212 CD GLU A 14 8.204 12.100 -10.096 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.962 10.963 -10.574 1.00 0.00 O ATOM 214 OE2 GLU A 14 9.123 12.822 -10.558 1.00 0.00 O ATOM 0 H GLU A 14 6.190 9.606 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 14 8.585 10.367 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.101 10.916 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.151 12.011 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.535 13.240 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.964 13.307 -8.321 1.00 0.00 H new ATOM 219 N ILE A 15 8.126 11.072 -4.944 1.00 0.00 N ATOM 220 CA ILE A 15 8.831 11.493 -3.738 1.00 0.00 C ATOM 221 C ILE A 15 9.650 10.318 -3.207 1.00 0.00 C ATOM 222 O ILE A 15 10.844 10.478 -2.980 1.00 0.00 O ATOM 223 CB ILE A 15 7.872 12.105 -2.691 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.879 11.086 -2.081 1.00 0.00 C ATOM 225 CG2 ILE A 15 7.109 13.296 -3.299 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.328 10.649 -0.683 1.00 0.00 C ATOM 0 H ILE A 15 7.297 10.512 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 15 9.523 12.300 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 15 8.500 12.446 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.885 11.530 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.802 10.214 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.437 13.718 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.820 14.058 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.529 12.957 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.612 9.933 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.311 10.183 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.380 11.519 -0.029 1.00 0.00 H new ATOM 237 N VAL A 16 9.078 9.112 -3.065 1.00 0.00 N ATOM 238 CA VAL A 16 9.787 8.012 -2.399 1.00 0.00 C ATOM 239 C VAL A 16 11.019 7.576 -3.198 1.00 0.00 C ATOM 240 O VAL A 16 12.052 7.261 -2.604 1.00 0.00 O ATOM 241 CB VAL A 16 8.876 6.801 -2.119 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.679 5.694 -1.431 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.724 7.153 -1.173 1.00 0.00 C ATOM 0 H VAL A 16 8.142 8.877 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 16 10.115 8.402 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 16 8.480 6.482 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.029 4.841 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.500 5.384 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.080 6.067 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.109 6.269 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.127 7.501 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.115 7.940 -1.618 1.00 0.00 H new ATOM 253 N GLU A 17 10.960 7.624 -4.536 1.00 0.00 N ATOM 254 CA GLU A 17 12.146 7.277 -5.351 1.00 0.00 C ATOM 255 C GLU A 17 13.146 8.441 -5.476 1.00 0.00 C ATOM 256 O GLU A 17 14.167 8.317 -6.160 1.00 0.00 O ATOM 257 CB GLU A 17 11.765 6.711 -6.730 1.00 0.00 C ATOM 258 CG GLU A 17 10.883 5.459 -6.637 1.00 0.00 C ATOM 259 CD GLU A 17 10.777 4.741 -7.993 1.00 0.00 C ATOM 260 OE1 GLU A 17 10.172 5.285 -8.948 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.303 3.605 -8.102 1.00 0.00 O ATOM 0 H GLU A 17 10.133 7.891 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 17 12.656 6.482 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.240 7.478 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.673 6.470 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.296 4.776 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.887 5.739 -6.294 1.00 0.00 H new ATOM 266 N ASN A 18 12.877 9.567 -4.806 1.00 0.00 N ATOM 267 CA ASN A 18 13.655 10.794 -4.844 1.00 0.00 C ATOM 268 C ASN A 18 14.206 11.236 -3.472 1.00 0.00 C ATOM 269 O ASN A 18 15.004 12.174 -3.415 1.00 0.00 O ATOM 270 CB ASN A 18 12.767 11.876 -5.486 1.00 0.00 C ATOM 271 CG ASN A 18 13.566 12.765 -6.409 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.789 13.946 -6.172 1.00 0.00 O ATOM 273 ND2 ASN A 18 14.022 12.205 -7.505 1.00 0.00 N ATOM 0 H ASN A 18 12.066 9.643 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 18 14.553 10.622 -5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.959 11.403 -6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.305 12.480 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.568 12.754 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.831 11.221 -7.693 1.00 0.00 H new ATOM 279 N GLU A 19 13.811 10.579 -2.371 1.00 0.00 N ATOM 280 CA GLU A 19 14.182 10.975 -1.003 1.00 0.00 C ATOM 281 C GLU A 19 15.328 10.125 -0.442 1.00 0.00 C ATOM 282 O GLU A 19 16.495 10.510 -0.544 1.00 0.00 O ATOM 283 CB GLU A 19 12.943 10.936 -0.090 1.00 0.00 C ATOM 284 CG GLU A 19 11.912 12.041 -0.361 1.00 0.00 C ATOM 285 CD GLU A 19 12.349 13.461 0.059 1.00 0.00 C ATOM 286 OE1 GLU A 19 13.430 13.647 0.671 1.00 0.00 O ATOM 287 OE2 GLU A 19 11.600 14.428 -0.232 1.00 0.00 O ATOM 0 H GLU A 19 13.219 9.749 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 19 14.555 11.999 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.456 9.968 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.270 11.009 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.682 12.049 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.989 11.792 0.163 1.00 0.00 H new ATOM 292 N ASP A 20 15.011 8.967 0.145 1.00 0.00 N ATOM 293 CA ASP A 20 15.964 8.070 0.793 1.00 0.00 C ATOM 294 C ASP A 20 15.681 6.609 0.424 1.00 0.00 C ATOM 295 O ASP A 20 15.008 5.871 1.146 1.00 0.00 O ATOM 296 CB ASP A 20 15.979 8.279 2.318 1.00 0.00 C ATOM 297 CG ASP A 20 16.790 9.508 2.743 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.043 9.425 2.721 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.194 10.541 3.135 1.00 0.00 O ATOM 0 H ASP A 20 14.053 8.620 0.182 1.00 0.00 H new ATOM 0 HA ASP A 20 16.960 8.314 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.955 8.384 2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.394 7.392 2.797 1.00 0.00 H new ATOM 303 N LYS A 21 16.270 6.161 -0.688 1.00 0.00 N ATOM 304 CA LYS A 21 16.359 4.733 -1.057 1.00 0.00 C ATOM 305 C LYS A 21 17.076 3.883 0.013 1.00 0.00 C ATOM 306 O LYS A 21 16.822 2.685 0.125 1.00 0.00 O ATOM 307 CB LYS A 21 17.046 4.598 -2.427 1.00 0.00 C ATOM 308 CG LYS A 21 16.211 5.222 -3.559 1.00 0.00 C ATOM 309 CD LYS A 21 16.889 5.021 -4.920 1.00 0.00 C ATOM 310 CE LYS A 21 16.052 5.674 -6.025 1.00 0.00 C ATOM 311 NZ LYS A 21 16.688 5.523 -7.357 1.00 0.00 N ATOM 0 H LYS A 21 16.706 6.782 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 21 15.344 4.342 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.023 5.079 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.218 3.544 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.218 4.772 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.075 6.287 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.889 5.455 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.007 3.957 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.059 5.225 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.919 6.733 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.093 5.977 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.625 5.973 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.792 4.512 -7.580 1.00 0.00 H new ATOM 321 N ARG A 22 17.925 4.518 0.835 1.00 0.00 N ATOM 322 CA ARG A 22 18.610 3.990 2.028 1.00 0.00 C ATOM 323 C ARG A 22 17.682 3.767 3.231 1.00 0.00 C ATOM 324 O ARG A 22 17.985 2.932 4.087 1.00 0.00 O ATOM 325 CB ARG A 22 19.707 4.985 2.461 1.00 0.00 C ATOM 326 CG ARG A 22 20.824 5.234 1.432 1.00 0.00 C ATOM 327 CD ARG A 22 20.500 6.153 0.242 1.00 0.00 C ATOM 328 NE ARG A 22 20.017 7.490 0.647 1.00 0.00 N ATOM 329 CZ ARG A 22 19.927 8.558 -0.126 1.00 0.00 C ATOM 330 NH1 ARG A 22 20.265 8.542 -1.385 1.00 0.00 N ATOM 331 NH2 ARG A 22 19.471 9.674 0.351 1.00 0.00 N ATOM 0 H ARG A 22 18.171 5.494 0.670 1.00 0.00 H new ATOM 0 HA ARG A 22 19.015 3.020 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.235 5.939 2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.161 4.619 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.680 5.656 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 22 21.138 4.268 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.393 6.268 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.744 5.675 -0.381 1.00 0.00 H new ATOM 0 HE ARG A 22 19.725 7.599 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.614 7.682 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.180 9.389 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.180 9.730 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.403 10.496 -0.250 1.00 0.00 H new ATOM 342 N LYS A 23 16.589 4.534 3.318 1.00 0.00 N ATOM 343 CA LYS A 23 15.657 4.634 4.463 1.00 0.00 C ATOM 344 C LYS A 23 14.225 4.929 3.959 1.00 0.00 C ATOM 345 O LYS A 23 13.772 6.078 4.042 1.00 0.00 O ATOM 346 CB LYS A 23 16.136 5.727 5.449 1.00 0.00 C ATOM 347 CG LYS A 23 17.547 5.503 6.024 1.00 0.00 C ATOM 348 CD LYS A 23 17.921 6.539 7.094 1.00 0.00 C ATOM 349 CE LYS A 23 18.056 7.949 6.501 1.00 0.00 C ATOM 350 NZ LYS A 23 18.473 8.934 7.530 1.00 0.00 N ATOM 0 H LYS A 23 16.309 5.141 2.548 1.00 0.00 H new ATOM 0 HA LYS A 23 15.642 3.682 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.115 6.691 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.427 5.787 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.605 4.504 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.276 5.543 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.161 6.545 7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.861 6.252 7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.786 7.936 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.104 8.255 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.555 9.876 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.764 8.963 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.393 8.654 7.926 1.00 0.00 H new ATOM 360 N PRO A 24 13.510 3.933 3.400 1.00 0.00 N ATOM 361 CA PRO A 24 12.233 4.150 2.717 1.00 0.00 C ATOM 362 C PRO A 24 11.102 4.526 3.688 1.00 0.00 C ATOM 363 O PRO A 24 11.168 4.267 4.895 1.00 0.00 O ATOM 364 CB PRO A 24 11.946 2.829 1.995 1.00 0.00 C ATOM 365 CG PRO A 24 12.599 1.794 2.906 1.00 0.00 C ATOM 366 CD PRO A 24 13.851 2.517 3.388 1.00 0.00 C ATOM 0 HA PRO A 24 12.289 4.992 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.876 2.653 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.376 2.814 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.948 1.515 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.842 0.877 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.142 2.176 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.694 2.323 2.725 1.00 0.00 H new ATOM 371 N TYR A 25 10.031 5.105 3.140 1.00 0.00 N ATOM 372 CA TYR A 25 8.748 5.304 3.828 1.00 0.00 C ATOM 373 C TYR A 25 7.926 3.995 3.855 1.00 0.00 C ATOM 374 O TYR A 25 8.370 2.942 3.385 1.00 0.00 O ATOM 375 CB TYR A 25 7.961 6.442 3.149 1.00 0.00 C ATOM 376 CG TYR A 25 8.678 7.778 3.054 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.587 8.024 2.010 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.410 8.786 3.999 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.230 9.271 1.902 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.071 10.028 3.916 1.00 0.00 C ATOM 381 CZ TYR A 25 9.984 10.274 2.865 1.00 0.00 C ATOM 382 OH TYR A 25 10.620 11.474 2.782 1.00 0.00 O ATOM 0 H TYR A 25 10.029 5.458 2.183 1.00 0.00 H new ATOM 0 HA TYR A 25 8.944 5.587 4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.694 6.122 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.029 6.589 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.793 7.250 1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.696 8.607 4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.910 9.460 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.880 10.792 4.655 1.00 0.00 H new ATOM 0 HH TYR A 25 10.334 12.048 3.523 1.00 0.00 H new ATOM 391 N SER A 26 6.707 4.064 4.384 1.00 0.00 N ATOM 392 CA SER A 26 5.722 2.977 4.431 1.00 0.00 C ATOM 393 C SER A 26 4.335 3.499 4.089 1.00 0.00 C ATOM 394 O SER A 26 4.143 4.711 4.013 1.00 0.00 O ATOM 395 CB SER A 26 5.727 2.325 5.811 1.00 0.00 C ATOM 396 OG SER A 26 5.515 3.236 6.878 1.00 0.00 O ATOM 0 H SER A 26 6.358 4.921 4.814 1.00 0.00 H new ATOM 0 HA SER A 26 5.994 2.225 3.690 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.954 1.558 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.682 1.821 5.961 1.00 0.00 H new ATOM 0 HG SER A 26 5.529 2.751 7.730 1.00 0.00 H new ATOM 401 N ASP A 27 3.363 2.614 3.879 1.00 0.00 N ATOM 402 CA ASP A 27 1.985 2.990 3.563 1.00 0.00 C ATOM 403 C ASP A 27 1.344 3.927 4.612 1.00 0.00 C ATOM 404 O ASP A 27 0.596 4.832 4.245 1.00 0.00 O ATOM 405 CB ASP A 27 1.142 1.741 3.251 1.00 0.00 C ATOM 406 CG ASP A 27 1.028 0.687 4.376 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.562 0.885 5.492 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.327 -0.330 4.152 1.00 0.00 O ATOM 0 H ASP A 27 3.510 1.606 3.924 1.00 0.00 H new ATOM 0 HA ASP A 27 2.012 3.596 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.136 2.066 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.564 1.256 2.371 1.00 0.00 H new ATOM 412 N GLN A 28 1.695 3.824 5.897 1.00 0.00 N ATOM 413 CA GLN A 28 1.344 4.829 6.897 1.00 0.00 C ATOM 414 C GLN A 28 2.079 6.153 6.623 1.00 0.00 C ATOM 415 O GLN A 28 1.452 7.209 6.536 1.00 0.00 O ATOM 416 CB GLN A 28 1.633 4.274 8.301 1.00 0.00 C ATOM 417 CG GLN A 28 1.497 5.317 9.423 1.00 0.00 C ATOM 418 CD GLN A 28 0.115 5.974 9.501 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.785 5.509 10.190 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.114 7.077 8.815 1.00 0.00 N ATOM 0 H GLN A 28 2.231 3.040 6.271 1.00 0.00 H new ATOM 0 HA GLN A 28 0.279 5.051 6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.951 3.448 8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.643 3.865 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.715 4.838 10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.249 6.093 9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.623 7.479 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.028 7.528 8.864 1.00 0.00 H new ATOM 427 N GLU A 29 3.405 6.139 6.527 1.00 0.00 N ATOM 428 CA GLU A 29 4.197 7.355 6.412 1.00 0.00 C ATOM 429 C GLU A 29 3.873 8.160 5.147 1.00 0.00 C ATOM 430 O GLU A 29 3.575 9.349 5.262 1.00 0.00 O ATOM 431 CB GLU A 29 5.683 7.001 6.523 1.00 0.00 C ATOM 432 CG GLU A 29 6.104 6.501 7.912 1.00 0.00 C ATOM 433 CD GLU A 29 6.014 7.607 8.981 1.00 0.00 C ATOM 434 OE1 GLU A 29 6.975 8.404 9.117 1.00 0.00 O ATOM 435 OE2 GLU A 29 4.985 7.687 9.697 1.00 0.00 O ATOM 0 H GLU A 29 3.959 5.283 6.527 1.00 0.00 H new ATOM 0 HA GLU A 29 3.934 8.018 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.919 6.234 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.275 7.880 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.469 5.664 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.126 6.125 7.866 1.00 0.00 H new ATOM 440 N ILE A 30 3.838 7.539 3.962 1.00 0.00 N ATOM 441 CA ILE A 30 3.401 8.213 2.730 1.00 0.00 C ATOM 442 C ILE A 30 1.970 8.743 2.838 1.00 0.00 C ATOM 443 O ILE A 30 1.733 9.872 2.416 1.00 0.00 O ATOM 444 CB ILE A 30 3.637 7.379 1.451 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.710 6.154 1.330 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.118 6.995 1.363 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.073 5.160 0.214 1.00 0.00 C ATOM 0 H ILE A 30 4.109 6.565 3.828 1.00 0.00 H new ATOM 0 HA ILE A 30 4.049 9.083 2.623 1.00 0.00 H new ATOM 0 HB ILE A 30 3.375 8.003 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.712 5.622 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.692 6.505 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.288 6.406 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.727 7.899 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.394 6.407 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.360 4.336 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.040 5.668 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.077 4.771 0.385 1.00 0.00 H new ATOM 458 N ALA A 31 1.040 8.023 3.479 1.00 0.00 N ATOM 459 CA ALA A 31 -0.318 8.542 3.674 1.00 0.00 C ATOM 460 C ALA A 31 -0.325 9.821 4.538 1.00 0.00 C ATOM 461 O ALA A 31 -1.107 10.746 4.306 1.00 0.00 O ATOM 462 CB ALA A 31 -1.177 7.453 4.322 1.00 0.00 C ATOM 0 H ALA A 31 1.200 7.093 3.866 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.730 8.813 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.189 7.829 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.207 6.578 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.747 7.175 5.284 1.00 0.00 H new ATOM 468 N ASN A 32 0.576 9.891 5.522 1.00 0.00 N ATOM 469 CA ASN A 32 0.696 11.007 6.451 1.00 0.00 C ATOM 470 C ASN A 32 1.206 12.290 5.782 1.00 0.00 C ATOM 471 O ASN A 32 0.563 13.331 5.896 1.00 0.00 O ATOM 472 CB ASN A 32 1.590 10.571 7.615 1.00 0.00 C ATOM 473 CG ASN A 32 1.631 11.613 8.719 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.661 11.827 9.434 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.736 12.302 8.888 1.00 0.00 N ATOM 0 H ASN A 32 1.257 9.152 5.695 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.296 11.262 6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.224 9.627 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.601 10.390 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.786 13.016 9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.544 12.124 8.292 1.00 0.00 H new ATOM 481 N ILE A 33 2.338 12.247 5.074 1.00 0.00 N ATOM 482 CA ILE A 33 2.929 13.450 4.439 1.00 0.00 C ATOM 483 C ILE A 33 2.008 14.020 3.352 1.00 0.00 C ATOM 484 O ILE A 33 1.920 15.234 3.163 1.00 0.00 O ATOM 485 CB ILE A 33 4.303 13.131 3.827 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.242 12.411 4.822 1.00 0.00 C ATOM 487 CG2 ILE A 33 5.010 14.380 3.286 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.755 11.139 4.164 1.00 0.00 C ATOM 0 H ILE A 33 2.873 11.392 4.920 1.00 0.00 H new ATOM 0 HA ILE A 33 3.050 14.198 5.223 1.00 0.00 H new ATOM 0 HB ILE A 33 4.092 12.459 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.075 13.059 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.709 12.173 5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.975 14.098 2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.396 14.838 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.162 15.092 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.420 10.616 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.913 10.494 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.300 11.394 3.255 1.00 0.00 H new ATOM 499 N LEU A 34 1.270 13.147 2.665 1.00 0.00 N ATOM 500 CA LEU A 34 0.267 13.497 1.658 1.00 0.00 C ATOM 501 C LEU A 34 -0.886 14.323 2.244 1.00 0.00 C ATOM 502 O LEU A 34 -1.501 15.127 1.536 1.00 0.00 O ATOM 503 CB LEU A 34 -0.223 12.192 0.999 1.00 0.00 C ATOM 504 CG LEU A 34 0.556 11.764 -0.265 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.069 11.991 -0.189 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.279 10.292 -0.576 1.00 0.00 C ATOM 0 H LEU A 34 1.358 12.140 2.799 1.00 0.00 H new ATOM 0 HA LEU A 34 0.718 14.140 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.164 11.388 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.275 12.308 0.737 1.00 0.00 H new ATOM 0 HG LEU A 34 0.192 12.410 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.533 11.662 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.271 13.051 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.481 11.421 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.832 9.998 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.596 9.676 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.788 10.151 -0.748 1.00 0.00 H new ATOM 517 N LYS A 35 -1.133 14.200 3.549 1.00 0.00 N ATOM 518 CA LYS A 35 -2.157 14.993 4.248 1.00 0.00 C ATOM 519 C LYS A 35 -1.690 16.418 4.566 1.00 0.00 C ATOM 520 O LYS A 35 -2.514 17.284 4.862 1.00 0.00 O ATOM 521 CB LYS A 35 -2.647 14.214 5.488 1.00 0.00 C ATOM 522 CG LYS A 35 -2.088 14.728 6.827 1.00 0.00 C ATOM 523 CD LYS A 35 -2.212 13.690 7.943 1.00 0.00 C ATOM 524 CE LYS A 35 -1.719 14.296 9.261 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.652 13.276 10.337 1.00 0.00 N ATOM 0 H LYS A 35 -0.632 13.550 4.155 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.008 15.135 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.736 14.258 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.374 13.165 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.040 14.999 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.619 15.635 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.249 13.370 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.627 12.804 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.733 14.736 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.386 15.103 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.548 13.749 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.525 12.711 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.836 12.653 10.174 1.00 0.00 H new ATOM 535 N GLU A 36 -0.381 16.674 4.490 1.00 0.00 N ATOM 536 CA GLU A 36 0.215 17.970 4.829 1.00 0.00 C ATOM 537 C GLU A 36 0.251 18.922 3.625 1.00 0.00 C ATOM 538 O GLU A 36 0.508 20.118 3.805 1.00 0.00 O ATOM 539 CB GLU A 36 1.636 17.786 5.398 1.00 0.00 C ATOM 540 CG GLU A 36 1.675 16.868 6.629 1.00 0.00 C ATOM 541 CD GLU A 36 3.044 16.942 7.329 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.996 16.245 6.897 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.181 17.699 8.323 1.00 0.00 O ATOM 0 H GLU A 36 0.303 15.980 4.188 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.420 18.422 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.281 17.373 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.043 18.761 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.889 17.157 7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.472 15.840 6.327 1.00 0.00 H new ATOM 548 N LYS A 37 -0.016 18.420 2.405 1.00 0.00 N ATOM 549 CA LYS A 37 0.102 19.201 1.160 1.00 0.00 C ATOM 550 C LYS A 37 -1.150 19.204 0.278 1.00 0.00 C ATOM 551 O LYS A 37 -1.349 20.180 -0.450 1.00 0.00 O ATOM 552 CB LYS A 37 1.385 18.788 0.431 1.00 0.00 C ATOM 553 CG LYS A 37 1.399 17.300 0.055 1.00 0.00 C ATOM 554 CD LYS A 37 2.760 16.895 -0.522 1.00 0.00 C ATOM 555 CE LYS A 37 3.746 16.695 0.629 1.00 0.00 C ATOM 556 NZ LYS A 37 5.148 16.607 0.148 1.00 0.00 N ATOM 0 H LYS A 37 -0.321 17.458 2.255 1.00 0.00 H new ATOM 0 HA LYS A 37 0.182 20.253 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.494 19.388 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.245 19.007 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.178 16.696 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.615 17.098 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.666 15.977 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.125 17.665 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.655 17.522 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.491 15.785 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.785 16.472 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.241 15.802 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.401 17.486 -0.348 1.00 0.00 H new ATOM 566 N GLY A 38 -2.053 18.224 0.412 1.00 0.00 N ATOM 567 CA GLY A 38 -3.474 18.451 0.103 1.00 0.00 C ATOM 568 C GLY A 38 -4.297 17.206 -0.210 1.00 0.00 C ATOM 569 O GLY A 38 -5.476 17.327 -0.549 1.00 0.00 O ATOM 0 H GLY A 38 -1.832 17.280 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.932 18.962 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.536 19.127 -0.749 1.00 0.00 H new ATOM 573 N PHE A 39 -3.697 16.016 -0.137 1.00 0.00 N ATOM 574 CA PHE A 39 -4.296 14.796 -0.667 1.00 0.00 C ATOM 575 C PHE A 39 -5.183 14.061 0.338 1.00 0.00 C ATOM 576 O PHE A 39 -6.041 13.276 -0.067 1.00 0.00 O ATOM 577 CB PHE A 39 -3.193 13.871 -1.183 1.00 0.00 C ATOM 578 CG PHE A 39 -2.257 14.550 -2.152 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.731 14.898 -3.430 1.00 0.00 C ATOM 580 CD2 PHE A 39 -0.943 14.882 -1.767 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.901 15.588 -4.325 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.111 15.557 -2.677 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.584 15.914 -3.953 1.00 0.00 C ATOM 0 H PHE A 39 -2.782 15.874 0.292 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.955 15.094 -1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.619 13.493 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.648 13.009 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.736 14.633 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.579 14.621 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.273 15.869 -5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.902 15.804 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.061 16.436 -4.644 1.00 0.00 H new ATOM 592 N LYS A 40 -4.950 14.320 1.636 1.00 0.00 N ATOM 593 CA LYS A 40 -5.542 13.726 2.852 1.00 0.00 C ATOM 594 C LYS A 40 -5.883 12.231 2.764 1.00 0.00 C ATOM 595 O LYS A 40 -6.807 11.772 3.436 1.00 0.00 O ATOM 596 CB LYS A 40 -6.682 14.627 3.378 1.00 0.00 C ATOM 597 CG LYS A 40 -7.790 14.945 2.356 1.00 0.00 C ATOM 598 CD LYS A 40 -9.229 14.828 2.887 1.00 0.00 C ATOM 599 CE LYS A 40 -9.832 13.443 2.615 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.500 12.447 3.662 1.00 0.00 N ATOM 0 H LYS A 40 -4.264 15.031 1.889 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.758 13.709 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.136 14.144 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.251 15.565 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.639 15.959 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.679 14.274 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.236 15.022 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.851 15.592 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.916 13.534 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.474 13.081 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.137 11.629 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.516 12.133 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.614 12.879 4.601 1.00 0.00 H new ATOM 610 N VAL A 41 -5.152 11.470 1.949 1.00 0.00 N ATOM 611 CA VAL A 41 -5.464 10.057 1.678 1.00 0.00 C ATOM 612 C VAL A 41 -4.890 9.183 2.806 1.00 0.00 C ATOM 613 O VAL A 41 -3.802 9.441 3.329 1.00 0.00 O ATOM 614 CB VAL A 41 -5.032 9.600 0.266 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.559 9.958 0.004 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.146 8.083 0.099 1.00 0.00 C ATOM 0 H VAL A 41 -4.327 11.811 1.456 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.547 9.937 1.673 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.696 10.109 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.276 9.627 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.428 11.037 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.928 9.463 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.833 7.803 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.506 7.587 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.180 7.776 0.256 1.00 0.00 H new ATOM 626 N ALA A 42 -5.625 8.151 3.196 1.00 0.00 N ATOM 627 CA ALA A 42 -5.323 7.178 4.224 1.00 0.00 C ATOM 628 C ALA A 42 -4.500 5.993 3.696 1.00 0.00 C ATOM 629 O ALA A 42 -4.414 5.711 2.494 1.00 0.00 O ATOM 630 CB ALA A 42 -6.657 6.696 4.813 1.00 0.00 C ATOM 0 H ALA A 42 -6.527 7.961 2.759 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.705 7.649 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.465 5.959 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.194 7.544 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.259 6.242 4.026 1.00 0.00 H new ATOM 636 N ARG A 43 -3.932 5.240 4.638 1.00 0.00 N ATOM 637 CA ARG A 43 -3.021 4.120 4.395 1.00 0.00 C ATOM 638 C ARG A 43 -3.618 2.993 3.549 1.00 0.00 C ATOM 639 O ARG A 43 -2.892 2.360 2.789 1.00 0.00 O ATOM 640 CB ARG A 43 -2.468 3.661 5.758 1.00 0.00 C ATOM 641 CG ARG A 43 -1.707 2.329 5.711 1.00 0.00 C ATOM 642 CD ARG A 43 -2.627 1.148 6.047 1.00 0.00 C ATOM 643 NE ARG A 43 -2.116 -0.102 5.474 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.718 -1.268 5.418 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.865 -1.477 5.995 1.00 0.00 N ATOM 646 NH2 ARG A 43 -2.152 -2.242 4.774 1.00 0.00 N ATOM 0 H ARG A 43 -4.100 5.400 5.631 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.197 4.460 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.804 4.433 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.296 3.569 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.278 2.188 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.876 2.357 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.713 1.047 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.629 1.344 5.665 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.180 -0.061 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.322 -0.724 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.307 -2.394 5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.251 -2.097 4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.608 -3.153 4.723 1.00 0.00 H new ATOM 657 N ARG A 44 -4.926 2.748 3.622 1.00 0.00 N ATOM 658 CA ARG A 44 -5.561 1.624 2.901 1.00 0.00 C ATOM 659 C ARG A 44 -5.535 1.866 1.396 1.00 0.00 C ATOM 660 O ARG A 44 -5.338 0.949 0.600 1.00 0.00 O ATOM 661 CB ARG A 44 -7.004 1.417 3.401 1.00 0.00 C ATOM 662 CG ARG A 44 -7.323 -0.040 3.794 1.00 0.00 C ATOM 663 CD ARG A 44 -7.558 -0.996 2.611 1.00 0.00 C ATOM 664 NE ARG A 44 -6.320 -1.316 1.875 1.00 0.00 N ATOM 665 CZ ARG A 44 -5.409 -2.231 2.144 1.00 0.00 C ATOM 666 NH1 ARG A 44 -5.522 -3.070 3.125 1.00 0.00 N ATOM 667 NH2 ARG A 44 -4.333 -2.308 1.417 1.00 0.00 N ATOM 0 H ARG A 44 -5.576 3.310 4.172 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.994 0.716 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.176 2.062 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.698 1.734 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.501 -0.426 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.211 -0.044 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.004 -1.920 2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.276 -0.547 1.925 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.144 -0.752 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.343 -3.040 3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.790 -3.760 3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.195 -1.661 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.627 -3.015 1.624 1.00 0.00 H new ATOM 678 N THR A 45 -5.708 3.118 1.008 1.00 0.00 N ATOM 679 CA THR A 45 -5.795 3.591 -0.354 1.00 0.00 C ATOM 680 C THR A 45 -4.409 3.648 -0.957 1.00 0.00 C ATOM 681 O THR A 45 -4.156 3.153 -2.056 1.00 0.00 O ATOM 682 CB THR A 45 -6.342 5.018 -0.297 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.351 5.181 0.686 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.874 5.404 -1.656 1.00 0.00 C ATOM 0 H THR A 45 -5.797 3.877 1.684 1.00 0.00 H new ATOM 0 HA THR A 45 -6.428 2.933 -0.949 1.00 0.00 H new ATOM 0 HB THR A 45 -5.519 5.673 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.665 6.109 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.265 6.421 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.070 5.351 -2.390 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.672 4.719 -1.942 1.00 0.00 H new ATOM 692 N VAL A 46 -3.488 4.236 -0.193 1.00 0.00 N ATOM 693 CA VAL A 46 -2.134 4.476 -0.639 1.00 0.00 C ATOM 694 C VAL A 46 -1.371 3.152 -0.829 1.00 0.00 C ATOM 695 O VAL A 46 -0.509 3.034 -1.701 1.00 0.00 O ATOM 696 CB VAL A 46 -1.450 5.463 0.324 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.619 4.786 1.405 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.534 6.425 -0.426 1.00 0.00 C ATOM 0 H VAL A 46 -3.671 4.558 0.757 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.138 4.943 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.272 5.996 0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.168 5.544 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.259 4.139 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.166 4.190 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.066 7.109 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.238 5.860 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.118 6.995 -1.149 1.00 0.00 H new ATOM 708 N ALA A 47 -1.744 2.126 -0.047 1.00 0.00 N ATOM 709 CA ALA A 47 -1.185 0.783 -0.089 1.00 0.00 C ATOM 710 C ALA A 47 -1.621 0.010 -1.341 1.00 0.00 C ATOM 711 O ALA A 47 -0.837 -0.759 -1.907 1.00 0.00 O ATOM 712 CB ALA A 47 -1.639 0.028 1.161 1.00 0.00 C ATOM 0 H ALA A 47 -2.475 2.223 0.658 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.099 0.867 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.228 -0.982 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.285 0.550 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.728 -0.023 1.180 1.00 0.00 H new ATOM 718 N LYS A 48 -2.862 0.229 -1.798 1.00 0.00 N ATOM 719 CA LYS A 48 -3.365 -0.318 -3.063 1.00 0.00 C ATOM 720 C LYS A 48 -2.660 0.300 -4.270 1.00 0.00 C ATOM 721 O LYS A 48 -2.492 -0.359 -5.296 1.00 0.00 O ATOM 722 CB LYS A 48 -4.880 -0.074 -3.154 1.00 0.00 C ATOM 723 CG LYS A 48 -5.700 -1.008 -2.254 1.00 0.00 C ATOM 724 CD LYS A 48 -7.197 -0.708 -2.401 1.00 0.00 C ATOM 725 CE LYS A 48 -8.009 -1.589 -1.446 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.463 -1.528 -1.738 1.00 0.00 N ATOM 0 H LYS A 48 -3.548 0.794 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.158 -1.388 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.092 0.960 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.200 -0.203 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.502 -2.046 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.397 -0.882 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.387 0.344 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.512 -0.887 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.666 -2.621 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.831 -1.271 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.977 -2.137 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.796 -0.548 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.636 -1.856 -2.710 1.00 0.00 H new ATOM 736 N TYR A 49 -2.237 1.558 -4.152 1.00 0.00 N ATOM 737 CA TYR A 49 -1.689 2.326 -5.270 1.00 0.00 C ATOM 738 C TYR A 49 -0.259 1.933 -5.597 1.00 0.00 C ATOM 739 O TYR A 49 0.033 1.656 -6.761 1.00 0.00 O ATOM 740 CB TYR A 49 -1.841 3.826 -5.014 1.00 0.00 C ATOM 741 CG TYR A 49 -3.185 4.357 -5.478 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.356 3.568 -5.440 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.228 5.635 -6.053 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.542 4.048 -6.026 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.407 6.121 -6.641 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.564 5.319 -6.642 1.00 0.00 C ATOM 747 OH TYR A 49 -6.709 5.806 -7.180 1.00 0.00 O ATOM 0 H TYR A 49 -2.265 2.076 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.270 2.081 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.723 4.024 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.044 4.363 -5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.341 2.599 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.343 6.254 -6.044 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.437 3.444 -6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.426 7.103 -7.089 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.540 6.693 -7.560 1.00 0.00 H new ATOM 756 N ARG A 50 0.613 1.803 -4.589 1.00 0.00 N ATOM 757 CA ARG A 50 1.987 1.323 -4.801 1.00 0.00 C ATOM 758 C ARG A 50 2.050 0.013 -5.595 1.00 0.00 C ATOM 759 O ARG A 50 2.989 -0.183 -6.363 1.00 0.00 O ATOM 760 CB ARG A 50 2.755 1.244 -3.465 1.00 0.00 C ATOM 761 CG ARG A 50 2.157 0.267 -2.437 1.00 0.00 C ATOM 762 CD ARG A 50 3.196 -0.322 -1.471 1.00 0.00 C ATOM 763 NE ARG A 50 3.472 0.517 -0.290 1.00 0.00 N ATOM 764 CZ ARG A 50 4.416 1.422 -0.128 1.00 0.00 C ATOM 765 NH1 ARG A 50 5.060 1.962 -1.123 1.00 0.00 N ATOM 766 NH2 ARG A 50 4.741 1.798 1.070 1.00 0.00 N ATOM 0 H ARG A 50 0.392 2.023 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 50 2.490 2.060 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.784 0.950 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.790 2.239 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.390 0.784 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.663 -0.548 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.849 -1.299 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.128 -0.484 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 50 2.850 0.378 0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.841 1.688 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.783 2.659 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.267 1.394 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.471 2.498 1.205 1.00 0.00 H new ATOM 777 N GLU A 51 1.018 -0.830 -5.485 1.00 0.00 N ATOM 778 CA GLU A 51 0.952 -2.126 -6.174 1.00 0.00 C ATOM 779 C GLU A 51 0.673 -1.979 -7.681 1.00 0.00 C ATOM 780 O GLU A 51 1.231 -2.730 -8.488 1.00 0.00 O ATOM 781 CB GLU A 51 -0.121 -3.006 -5.503 1.00 0.00 C ATOM 782 CG GLU A 51 -0.146 -4.437 -6.061 1.00 0.00 C ATOM 783 CD GLU A 51 -1.184 -5.310 -5.334 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.406 -5.104 -5.535 1.00 0.00 O ATOM 785 OE2 GLU A 51 -0.789 -6.235 -4.581 1.00 0.00 O ATOM 0 H GLU A 51 0.198 -0.632 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 51 1.928 -2.603 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.063 -3.042 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.100 -2.548 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.375 -4.409 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.842 -4.885 -5.959 1.00 0.00 H new ATOM 790 N MET A 52 -0.171 -1.019 -8.077 1.00 0.00 N ATOM 791 CA MET A 52 -0.596 -0.840 -9.474 1.00 0.00 C ATOM 792 C MET A 52 0.354 0.049 -10.294 1.00 0.00 C ATOM 793 O MET A 52 0.418 -0.091 -11.518 1.00 0.00 O ATOM 794 CB MET A 52 -2.057 -0.367 -9.546 1.00 0.00 C ATOM 795 CG MET A 52 -2.267 1.115 -9.219 1.00 0.00 C ATOM 796 SD MET A 52 -4.006 1.630 -9.245 1.00 0.00 S ATOM 797 CE MET A 52 -3.772 3.419 -9.087 1.00 0.00 C ATOM 0 H MET A 52 -0.581 -0.340 -7.436 1.00 0.00 H new ATOM 0 HA MET A 52 -0.540 -1.820 -9.948 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.439 -0.562 -10.548 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.653 -0.965 -8.856 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.851 1.323 -8.233 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.708 1.718 -9.934 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.742 3.904 -8.977 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.159 3.630 -8.211 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.274 3.801 -9.978 1.00 0.00 H new ATOM 805 N LEU A 53 1.122 0.928 -9.636 1.00 0.00 N ATOM 806 CA LEU A 53 2.218 1.684 -10.246 1.00 0.00 C ATOM 807 C LEU A 53 3.419 0.776 -10.560 1.00 0.00 C ATOM 808 O LEU A 53 3.763 0.593 -11.731 1.00 0.00 O ATOM 809 CB LEU A 53 2.574 2.858 -9.321 1.00 0.00 C ATOM 810 CG LEU A 53 1.564 4.008 -9.489 1.00 0.00 C ATOM 811 CD1 LEU A 53 1.153 4.570 -8.133 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.231 5.094 -10.325 1.00 0.00 C ATOM 0 H LEU A 53 0.994 1.136 -8.646 1.00 0.00 H new ATOM 0 HA LEU A 53 1.906 2.089 -11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.581 2.522 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.579 3.214 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 53 0.663 3.642 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.439 5.381 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.692 3.782 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.033 4.949 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.539 5.925 -10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.126 5.448 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.506 4.687 -11.298 1.00 0.00 H new ATOM 823 N GLY A 54 4.033 0.179 -9.534 1.00 0.00 N ATOM 824 CA GLY A 54 5.050 -0.868 -9.709 1.00 0.00 C ATOM 825 C GLY A 54 5.917 -1.243 -8.496 1.00 0.00 C ATOM 826 O GLY A 54 6.846 -2.041 -8.646 1.00 0.00 O ATOM 0 H GLY A 54 3.841 0.406 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.544 -1.771 -10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.717 -0.554 -10.512 1.00 0.00 H new ATOM 830 N ILE A 55 5.671 -0.673 -7.314 1.00 0.00 N ATOM 831 CA ILE A 55 6.462 -0.895 -6.091 1.00 0.00 C ATOM 832 C ILE A 55 5.996 -2.169 -5.348 1.00 0.00 C ATOM 833 O ILE A 55 4.795 -2.330 -5.101 1.00 0.00 O ATOM 834 CB ILE A 55 6.391 0.369 -5.203 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.281 1.470 -5.822 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.838 0.109 -3.751 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.865 2.889 -5.415 1.00 0.00 C ATOM 0 H ILE A 55 4.896 -0.026 -7.172 1.00 0.00 H new ATOM 0 HA ILE A 55 7.505 -1.065 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 55 5.348 0.682 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.315 1.302 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.247 1.387 -6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.766 1.033 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.195 -0.648 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.870 -0.242 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.532 3.612 -5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.841 3.075 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.926 2.989 -4.331 1.00 0.00 H new ATOM 848 N PRO A 56 6.922 -3.069 -4.948 1.00 0.00 N ATOM 849 CA PRO A 56 6.620 -4.225 -4.102 1.00 0.00 C ATOM 850 C PRO A 56 6.294 -3.780 -2.664 1.00 0.00 C ATOM 851 O PRO A 56 5.159 -3.935 -2.206 1.00 0.00 O ATOM 852 CB PRO A 56 7.844 -5.141 -4.215 1.00 0.00 C ATOM 853 CG PRO A 56 9.000 -4.202 -4.564 1.00 0.00 C ATOM 854 CD PRO A 56 8.344 -3.005 -5.247 1.00 0.00 C ATOM 0 HA PRO A 56 5.728 -4.766 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.031 -5.669 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.702 -5.898 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.544 -3.897 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.718 -4.688 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.773 -2.071 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.513 -3.035 -6.323 1.00 0.00 H new ATOM 859 N SER A 57 7.270 -3.184 -1.967 1.00 0.00 N ATOM 860 CA SER A 57 7.086 -2.484 -0.678 1.00 0.00 C ATOM 861 C SER A 57 8.072 -1.334 -0.409 1.00 0.00 C ATOM 862 O SER A 57 7.914 -0.568 0.543 1.00 0.00 O ATOM 863 CB SER A 57 7.193 -3.491 0.477 1.00 0.00 C ATOM 864 OG SER A 57 8.525 -3.978 0.590 1.00 0.00 O ATOM 0 H SER A 57 8.238 -3.172 -2.288 1.00 0.00 H new ATOM 0 HA SER A 57 6.096 -2.032 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.893 -3.016 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.508 -4.322 0.308 1.00 0.00 H new ATOM 0 HG SER A 57 8.578 -4.617 1.331 1.00 0.00 H new ATOM 869 N SER A 58 9.130 -1.234 -1.221 1.00 0.00 N ATOM 870 CA SER A 58 10.353 -0.428 -1.040 1.00 0.00 C ATOM 871 C SER A 58 11.208 -0.758 0.200 1.00 0.00 C ATOM 872 O SER A 58 12.388 -0.405 0.223 1.00 0.00 O ATOM 873 CB SER A 58 10.079 1.080 -1.147 1.00 0.00 C ATOM 874 OG SER A 58 9.647 1.413 -2.456 1.00 0.00 O ATOM 0 H SER A 58 9.160 -1.757 -2.096 1.00 0.00 H new ATOM 0 HA SER A 58 10.975 -0.732 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.319 1.370 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.983 1.638 -0.902 1.00 0.00 H new ATOM 0 HG SER A 58 9.475 2.376 -2.508 1.00 0.00 H new ATOM 879 N ARG A 59 10.699 -1.530 1.172 1.00 0.00 N ATOM 880 CA ARG A 59 11.461 -2.143 2.275 1.00 0.00 C ATOM 881 C ARG A 59 12.367 -3.234 1.715 1.00 0.00 C ATOM 882 O ARG A 59 13.532 -3.339 2.096 1.00 0.00 O ATOM 883 CB ARG A 59 10.456 -2.679 3.316 1.00 0.00 C ATOM 884 CG ARG A 59 11.041 -3.566 4.432 1.00 0.00 C ATOM 885 CD ARG A 59 9.907 -3.963 5.391 1.00 0.00 C ATOM 886 NE ARG A 59 10.319 -4.946 6.409 1.00 0.00 N ATOM 887 CZ ARG A 59 9.554 -5.439 7.370 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.327 -5.041 7.561 1.00 0.00 N ATOM 889 NH2 ARG A 59 10.017 -6.356 8.171 1.00 0.00 N ATOM 0 H ARG A 59 9.705 -1.755 1.214 1.00 0.00 H new ATOM 0 HA ARG A 59 12.105 -1.417 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.957 -1.828 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.690 -3.250 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.503 -4.456 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.822 -3.029 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.533 -3.069 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.080 -4.375 4.813 1.00 0.00 H new ATOM 0 HE ARG A 59 11.283 -5.277 6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.924 -4.324 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.771 -5.447 8.313 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.972 -6.696 8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.425 -6.734 8.910 1.00 0.00 H new ATOM 900 N GLU A 60 11.840 -4.001 0.758 1.00 0.00 N ATOM 901 CA GLU A 60 12.554 -5.091 0.097 1.00 0.00 C ATOM 902 C GLU A 60 13.522 -4.615 -1.006 1.00 0.00 C ATOM 903 O GLU A 60 14.479 -5.321 -1.334 1.00 0.00 O ATOM 904 CB GLU A 60 11.557 -6.165 -0.382 1.00 0.00 C ATOM 905 CG GLU A 60 10.699 -5.819 -1.611 1.00 0.00 C ATOM 906 CD GLU A 60 11.342 -6.317 -2.921 1.00 0.00 C ATOM 907 OE1 GLU A 60 11.233 -7.530 -3.228 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.943 -5.504 -3.662 1.00 0.00 O ATOM 0 H GLU A 60 10.887 -3.878 0.416 1.00 0.00 H new ATOM 0 HA GLU A 60 13.209 -5.552 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.117 -7.073 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.887 -6.399 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.710 -6.264 -1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.559 -4.739 -1.663 1.00 0.00 H new ATOM 913 N ARG A 61 13.315 -3.393 -1.527 1.00 0.00 N ATOM 914 CA ARG A 61 14.228 -2.699 -2.456 1.00 0.00 C ATOM 915 C ARG A 61 15.453 -2.123 -1.740 1.00 0.00 C ATOM 916 O ARG A 61 16.557 -2.166 -2.288 1.00 0.00 O ATOM 917 CB ARG A 61 13.497 -1.564 -3.199 1.00 0.00 C ATOM 918 CG ARG A 61 12.348 -2.062 -4.090 1.00 0.00 C ATOM 919 CD ARG A 61 11.620 -0.906 -4.792 1.00 0.00 C ATOM 920 NE ARG A 61 12.446 -0.249 -5.823 1.00 0.00 N ATOM 921 CZ ARG A 61 12.136 0.861 -6.466 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.077 1.561 -6.186 1.00 0.00 N ATOM 923 NH2 ARG A 61 12.872 1.319 -7.432 1.00 0.00 N ATOM 0 H ARG A 61 12.484 -2.844 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 61 14.569 -3.447 -3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.102 -0.857 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.215 -1.020 -3.813 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.742 -2.750 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.637 -2.623 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.707 -1.284 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.320 -0.167 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 61 13.334 -0.691 -6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.447 1.258 -5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.876 2.413 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.715 0.818 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.607 2.180 -7.911 1.00 0.00 H new ATOM 934 N ARG A 62 15.264 -1.580 -0.530 1.00 0.00 N ATOM 935 CA ARG A 62 16.300 -0.975 0.310 1.00 0.00 C ATOM 936 C ARG A 62 17.290 -2.016 0.846 1.00 0.00 C ATOM 937 O ARG A 62 18.499 -1.870 0.643 1.00 0.00 O ATOM 938 CB ARG A 62 15.579 -0.214 1.430 1.00 0.00 C ATOM 939 CG ARG A 62 16.507 0.337 2.524 1.00 0.00 C ATOM 940 CD ARG A 62 16.040 -0.152 3.895 1.00 0.00 C ATOM 941 NE ARG A 62 16.892 0.396 4.964 1.00 0.00 N ATOM 942 CZ ARG A 62 16.969 0.004 6.221 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.267 -0.992 6.684 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.759 0.623 7.048 1.00 0.00 N ATOM 0 H ARG A 62 14.343 -1.550 -0.093 1.00 0.00 H new ATOM 0 HA ARG A 62 16.913 -0.288 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.024 0.615 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.848 -0.878 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.532 0.013 2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.508 1.427 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.005 0.147 4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.066 -1.241 3.926 1.00 0.00 H new ATOM 0 HE ARG A 62 17.497 1.174 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.631 -1.498 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.354 -1.266 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.319 1.412 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.818 0.320 8.020 1.00 0.00 H new ATOM 955 N ILE A 63 16.779 -3.010 1.583 1.00 0.00 N ATOM 956 CA ILE A 63 17.560 -3.980 2.379 1.00 0.00 C ATOM 957 C ILE A 63 18.585 -4.793 1.563 1.00 0.00 C ATOM 958 O ILE A 63 18.285 -5.209 0.417 1.00 0.00 O ATOM 959 CB ILE A 63 16.603 -4.840 3.240 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.307 -5.552 4.414 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.850 -5.875 2.391 1.00 0.00 C ATOM 962 CD1 ILE A 63 17.845 -4.581 5.474 1.00 0.00 C ATOM 963 OXT ILE A 63 19.714 -4.992 2.070 1.00 0.00 O ATOM 0 H ILE A 63 15.774 -3.171 1.647 1.00 0.00 H new ATOM 0 HA ILE A 63 18.199 -3.415 3.057 1.00 0.00 H new ATOM 0 HB ILE A 63 15.890 -4.133 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.607 -6.242 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.132 -6.150 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.189 -6.459 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.260 -5.362 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.566 -6.539 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.328 -5.145 6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.569 -3.907 5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.020 -4.001 5.888 1.00 0.00 H new