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 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+ 173:sc= 0 (180deg=-0.0369) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.24) USER MOD Single : A 18 ASN : amide:sc=-0.00674 X(o=-0.0067,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= 1.05 (180deg=0.542) 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= 0.758 K(o=0.76,f=-0.013) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.18) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0137 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 177:sc= -0.0494 (180deg=-0.0702) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.139 12.025 -4.577 1.00 0.00 N ATOM 35 CA LEU A 3 -9.123 12.632 -5.437 1.00 0.00 C ATOM 36 C LEU A 3 -9.412 12.413 -6.935 1.00 0.00 C ATOM 37 O LEU A 3 -10.413 11.796 -7.318 1.00 0.00 O ATOM 38 CB LEU A 3 -7.748 12.065 -5.015 1.00 0.00 C ATOM 39 CG LEU A 3 -7.226 12.584 -3.663 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.803 12.078 -3.418 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.177 14.111 -3.626 1.00 0.00 C ATOM 0 HA LEU A 3 -9.132 13.714 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.817 10.978 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.018 12.306 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.912 12.219 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.444 12.451 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.801 10.988 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.148 12.434 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.804 14.440 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.514 14.473 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.179 14.511 -3.784 1.00 0.00 H new ATOM 52 N THR A 4 -8.530 12.948 -7.780 1.00 0.00 N ATOM 53 CA THR A 4 -8.563 12.785 -9.249 1.00 0.00 C ATOM 54 C THR A 4 -8.177 11.365 -9.692 1.00 0.00 C ATOM 55 O THR A 4 -8.053 10.447 -8.874 1.00 0.00 O ATOM 56 CB THR A 4 -7.686 13.838 -9.956 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.336 13.673 -9.585 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.124 15.267 -9.647 1.00 0.00 C ATOM 0 H THR A 4 -7.750 13.523 -7.462 1.00 0.00 H new ATOM 0 HA THR A 4 -9.598 12.946 -9.552 1.00 0.00 H new ATOM 0 HB THR A 4 -7.804 13.680 -11.028 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.787 14.345 -10.040 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.473 15.968 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.153 15.412 -9.977 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.059 15.443 -8.573 1.00 0.00 H new ATOM 66 N GLN A 5 -7.973 11.169 -11.001 1.00 0.00 N ATOM 67 CA GLN A 5 -7.475 9.932 -11.615 1.00 0.00 C ATOM 68 C GLN A 5 -6.217 9.344 -10.947 1.00 0.00 C ATOM 69 O GLN A 5 -5.997 8.132 -11.021 1.00 0.00 O ATOM 70 CB GLN A 5 -7.244 10.176 -13.115 1.00 0.00 C ATOM 71 CG GLN A 5 -6.098 11.153 -13.440 1.00 0.00 C ATOM 72 CD GLN A 5 -5.968 11.380 -14.946 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.210 10.712 -15.641 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.693 12.323 -15.514 1.00 0.00 N ATOM 0 H GLN A 5 -8.158 11.898 -11.689 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.243 9.173 -11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.036 9.221 -13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.165 10.560 -13.553 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.278 12.105 -12.941 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.160 10.760 -13.048 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.328 12.887 -14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.619 12.488 -16.518 1.00 0.00 H new ATOM 81 N GLY A 6 -5.411 10.172 -10.267 1.00 0.00 N ATOM 82 CA GLY A 6 -4.310 9.696 -9.444 1.00 0.00 C ATOM 83 C GLY A 6 -3.560 10.777 -8.675 1.00 0.00 C ATOM 84 O GLY A 6 -2.333 10.728 -8.662 1.00 0.00 O ATOM 0 H GLY A 6 -5.511 11.187 -10.277 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.698 8.969 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.601 9.169 -10.083 1.00 0.00 H new ATOM 88 N GLU A 7 -4.229 11.727 -8.003 1.00 0.00 N ATOM 89 CA GLU A 7 -3.584 12.811 -7.250 1.00 0.00 C ATOM 90 C GLU A 7 -2.664 12.310 -6.124 1.00 0.00 C ATOM 91 O GLU A 7 -1.783 13.039 -5.684 1.00 0.00 O ATOM 92 CB GLU A 7 -4.650 13.786 -6.701 1.00 0.00 C ATOM 93 CG GLU A 7 -4.410 15.212 -7.206 1.00 0.00 C ATOM 94 CD GLU A 7 -5.282 16.248 -6.472 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.415 16.535 -6.926 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.828 16.816 -5.449 1.00 0.00 O ATOM 0 H GLU A 7 -5.248 11.763 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.937 13.339 -7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.642 13.452 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.629 13.775 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.359 15.469 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.619 15.256 -8.275 1.00 0.00 H new ATOM 101 N LEU A 8 -2.803 11.049 -5.708 1.00 0.00 N ATOM 102 CA LEU A 8 -1.892 10.376 -4.779 1.00 0.00 C ATOM 103 C LEU A 8 -1.012 9.310 -5.475 1.00 0.00 C ATOM 104 O LEU A 8 0.064 8.988 -4.981 1.00 0.00 O ATOM 105 CB LEU A 8 -2.732 9.865 -3.589 1.00 0.00 C ATOM 106 CG LEU A 8 -3.571 8.598 -3.868 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.868 7.387 -3.253 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.968 8.639 -3.252 1.00 0.00 C ATOM 0 H LEU A 8 -3.571 10.453 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.149 11.073 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.062 9.660 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.403 10.662 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.668 8.537 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.455 6.489 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.879 7.276 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.769 7.531 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.498 7.717 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.886 8.742 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.519 9.488 -3.656 1.00 0.00 H new ATOM 119 N MET A 9 -1.402 8.815 -6.656 1.00 0.00 N ATOM 120 CA MET A 9 -0.709 7.778 -7.432 1.00 0.00 C ATOM 121 C MET A 9 0.613 8.306 -7.978 1.00 0.00 C ATOM 122 O MET A 9 1.688 7.827 -7.623 1.00 0.00 O ATOM 123 CB MET A 9 -1.654 7.237 -8.537 1.00 0.00 C ATOM 124 CG MET A 9 -1.031 6.954 -9.908 1.00 0.00 C ATOM 125 SD MET A 9 -2.076 6.009 -11.046 1.00 0.00 S ATOM 126 CE MET A 9 -0.911 5.830 -12.423 1.00 0.00 C ATOM 0 H MET A 9 -2.250 9.142 -7.119 1.00 0.00 H new ATOM 0 HA MET A 9 -0.454 6.939 -6.785 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.107 6.314 -8.174 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.462 7.956 -8.674 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.776 7.904 -10.377 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.097 6.411 -9.761 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.383 5.267 -13.228 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.625 6.816 -12.788 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.023 5.298 -12.081 1.00 0.00 H new ATOM 134 N LYS A 10 0.542 9.324 -8.834 1.00 0.00 N ATOM 135 CA LYS A 10 1.674 9.856 -9.614 1.00 0.00 C ATOM 136 C LYS A 10 2.636 10.734 -8.789 1.00 0.00 C ATOM 137 O LYS A 10 3.436 11.488 -9.345 1.00 0.00 O ATOM 138 CB LYS A 10 1.096 10.508 -10.890 1.00 0.00 C ATOM 139 CG LYS A 10 0.095 11.653 -10.638 1.00 0.00 C ATOM 140 CD LYS A 10 -1.125 11.633 -11.577 1.00 0.00 C ATOM 141 CE LYS A 10 -2.015 12.870 -11.402 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.375 14.104 -11.925 1.00 0.00 N ATOM 0 H LYS A 10 -0.330 9.822 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 10 2.338 9.048 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.921 10.892 -11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.603 9.738 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.252 11.598 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.612 12.606 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.784 11.577 -12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.713 10.735 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.962 12.709 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.245 13.003 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.057 14.889 -11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.548 14.340 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.072 13.948 -12.907 1.00 0.00 H new ATOM 152 N LEU A 11 2.538 10.632 -7.460 1.00 0.00 N ATOM 153 CA LEU A 11 3.180 11.433 -6.418 1.00 0.00 C ATOM 154 C LEU A 11 3.900 10.537 -5.414 1.00 0.00 C ATOM 155 O LEU A 11 5.010 10.879 -5.000 1.00 0.00 O ATOM 156 CB LEU A 11 2.134 12.272 -5.650 1.00 0.00 C ATOM 157 CG LEU A 11 1.449 13.429 -6.395 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.468 14.425 -6.942 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.585 12.939 -7.551 1.00 0.00 C ATOM 0 H LEU A 11 1.946 9.912 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 11 3.896 12.091 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.356 11.595 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.621 12.685 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 11 0.813 13.920 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.948 15.229 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.048 14.841 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.137 13.917 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.122 13.792 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.206 12.398 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.191 12.276 -7.169 1.00 0.00 H new ATOM 170 N ILE A 12 3.319 9.386 -5.036 1.00 0.00 N ATOM 171 CA ILE A 12 3.945 8.534 -4.011 1.00 0.00 C ATOM 172 C ILE A 12 5.307 8.012 -4.473 1.00 0.00 C ATOM 173 O ILE A 12 6.248 7.963 -3.684 1.00 0.00 O ATOM 174 CB ILE A 12 3.054 7.354 -3.582 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.439 6.576 -4.764 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.957 7.808 -2.611 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.547 5.074 -4.526 1.00 0.00 C ATOM 0 H ILE A 12 2.440 9.031 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 12 4.083 9.175 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 12 3.720 6.659 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.393 6.857 -4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.952 6.842 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.345 6.952 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.415 8.238 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.330 8.557 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.109 4.540 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.596 4.796 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.013 4.811 -3.613 1.00 0.00 H new ATOM 188 N LYS A 13 5.451 7.690 -5.765 1.00 0.00 N ATOM 189 CA LYS A 13 6.728 7.166 -6.306 1.00 0.00 C ATOM 190 C LYS A 13 7.728 8.267 -6.677 1.00 0.00 C ATOM 191 O LYS A 13 8.922 8.025 -6.823 1.00 0.00 O ATOM 192 CB LYS A 13 6.444 6.188 -7.460 1.00 0.00 C ATOM 193 CG LYS A 13 5.649 6.744 -8.656 1.00 0.00 C ATOM 194 CD LYS A 13 6.504 7.463 -9.709 1.00 0.00 C ATOM 195 CE LYS A 13 5.613 7.951 -10.855 1.00 0.00 C ATOM 196 NZ LYS A 13 6.407 8.641 -11.901 1.00 0.00 N ATOM 0 H LYS A 13 4.708 7.780 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 13 7.227 6.613 -5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.398 5.812 -7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.900 5.334 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.118 5.922 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.894 7.437 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.023 8.307 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.269 6.788 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.087 7.104 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.855 8.630 -10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.773 8.974 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.903 9.453 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.103 7.980 -12.301 1.00 0.00 H new ATOM 206 N GLU A 14 7.232 9.492 -6.787 1.00 0.00 N ATOM 207 CA GLU A 14 7.878 10.674 -7.360 1.00 0.00 C ATOM 208 C GLU A 14 8.503 11.563 -6.276 1.00 0.00 C ATOM 209 O GLU A 14 9.385 12.372 -6.568 1.00 0.00 O ATOM 210 CB GLU A 14 6.816 11.443 -8.172 1.00 0.00 C ATOM 211 CG GLU A 14 7.376 12.471 -9.168 1.00 0.00 C ATOM 212 CD GLU A 14 8.251 11.828 -10.261 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.784 10.878 -10.935 1.00 0.00 O ATOM 214 OE2 GLU A 14 9.409 12.273 -10.464 1.00 0.00 O ATOM 0 H GLU A 14 6.293 9.706 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 14 8.699 10.367 -8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.208 10.723 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.152 11.957 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.549 13.003 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.965 13.211 -8.626 1.00 0.00 H new ATOM 219 N ILE A 15 8.097 11.369 -5.014 1.00 0.00 N ATOM 220 CA ILE A 15 8.750 11.924 -3.828 1.00 0.00 C ATOM 221 C ILE A 15 9.604 10.847 -3.156 1.00 0.00 C ATOM 222 O ILE A 15 10.768 11.103 -2.865 1.00 0.00 O ATOM 223 CB ILE A 15 7.731 12.570 -2.861 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.782 11.548 -2.189 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.924 13.665 -3.581 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.229 11.227 -0.760 1.00 0.00 C ATOM 0 H ILE A 15 7.279 10.803 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 15 9.414 12.732 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 15 8.315 13.017 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.768 11.946 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.756 10.631 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.212 14.109 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.602 14.436 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.386 13.227 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.541 10.507 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.234 10.805 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.230 12.140 -0.165 1.00 0.00 H new ATOM 237 N VAL A 16 9.088 9.623 -2.958 1.00 0.00 N ATOM 238 CA VAL A 16 9.808 8.586 -2.205 1.00 0.00 C ATOM 239 C VAL A 16 11.106 8.221 -2.910 1.00 0.00 C ATOM 240 O VAL A 16 12.148 8.108 -2.260 1.00 0.00 O ATOM 241 CB VAL A 16 8.961 7.317 -1.993 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.798 6.179 -1.394 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.799 7.588 -1.033 1.00 0.00 C ATOM 0 H VAL A 16 8.176 9.329 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 16 10.027 9.006 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 16 8.585 7.028 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.170 5.299 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.619 5.938 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.200 6.491 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.217 6.676 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.191 7.912 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.161 8.369 -1.446 1.00 0.00 H new ATOM 253 N GLU A 17 11.070 8.079 -4.240 1.00 0.00 N ATOM 254 CA GLU A 17 12.297 7.710 -4.970 1.00 0.00 C ATOM 255 C GLU A 17 13.214 8.915 -5.234 1.00 0.00 C ATOM 256 O GLU A 17 14.302 8.755 -5.794 1.00 0.00 O ATOM 257 CB GLU A 17 11.986 6.905 -6.240 1.00 0.00 C ATOM 258 CG GLU A 17 11.290 5.579 -5.879 1.00 0.00 C ATOM 259 CD GLU A 17 11.305 4.551 -7.022 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.383 4.287 -7.607 1.00 0.00 O ATOM 261 OE2 GLU A 17 10.271 3.887 -7.265 1.00 0.00 O ATOM 0 H GLU A 17 10.240 8.207 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 17 12.865 7.048 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.347 7.490 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.908 6.702 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.778 5.147 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.257 5.784 -5.598 1.00 0.00 H new ATOM 266 N ASN A 18 12.819 10.115 -4.789 1.00 0.00 N ATOM 267 CA ASN A 18 13.601 11.337 -4.868 1.00 0.00 C ATOM 268 C ASN A 18 14.373 11.631 -3.569 1.00 0.00 C ATOM 269 O ASN A 18 15.355 12.376 -3.589 1.00 0.00 O ATOM 270 CB ASN A 18 12.626 12.479 -5.201 1.00 0.00 C ATOM 271 CG ASN A 18 13.305 13.555 -6.014 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.562 14.667 -5.568 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.609 13.236 -7.250 1.00 0.00 N ATOM 0 H ASN A 18 11.910 10.257 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 18 14.362 11.232 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.774 12.084 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.235 12.908 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.066 13.918 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.388 12.306 -7.606 1.00 0.00 H new ATOM 279 N GLU A 19 13.932 11.058 -2.442 1.00 0.00 N ATOM 280 CA GLU A 19 14.450 11.351 -1.106 1.00 0.00 C ATOM 281 C GLU A 19 15.587 10.406 -0.712 1.00 0.00 C ATOM 282 O GLU A 19 16.764 10.731 -0.887 1.00 0.00 O ATOM 283 CB GLU A 19 13.292 11.304 -0.093 1.00 0.00 C ATOM 284 CG GLU A 19 12.274 12.439 -0.236 1.00 0.00 C ATOM 285 CD GLU A 19 12.860 13.803 0.170 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.931 14.088 1.391 1.00 0.00 O ATOM 287 OE2 GLU A 19 13.247 14.597 -0.721 1.00 0.00 O ATOM 0 H GLU A 19 13.187 10.361 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 19 14.879 12.353 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.772 10.352 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.707 11.330 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.929 12.487 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.402 12.222 0.381 1.00 0.00 H new ATOM 292 N ASP A 20 15.247 9.231 -0.185 1.00 0.00 N ATOM 293 CA ASP A 20 16.195 8.213 0.245 1.00 0.00 C ATOM 294 C ASP A 20 15.691 6.819 -0.133 1.00 0.00 C ATOM 295 O ASP A 20 15.017 6.140 0.642 1.00 0.00 O ATOM 296 CB ASP A 20 16.487 8.321 1.753 1.00 0.00 C ATOM 297 CG ASP A 20 17.465 9.450 2.093 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.680 9.270 1.835 1.00 0.00 O ATOM 299 OD2 ASP A 20 17.043 10.484 2.665 1.00 0.00 O ATOM 0 H ASP A 20 14.275 8.956 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 20 17.138 8.382 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.552 8.485 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.896 7.375 2.107 1.00 0.00 H new ATOM 303 N LYS A 21 16.106 6.348 -1.311 1.00 0.00 N ATOM 304 CA LYS A 21 16.087 4.911 -1.655 1.00 0.00 C ATOM 305 C LYS A 21 16.811 4.040 -0.604 1.00 0.00 C ATOM 306 O LYS A 21 16.450 2.881 -0.394 1.00 0.00 O ATOM 307 CB LYS A 21 16.703 4.701 -3.047 1.00 0.00 C ATOM 308 CG LYS A 21 15.875 5.302 -4.197 1.00 0.00 C ATOM 309 CD LYS A 21 16.444 4.824 -5.544 1.00 0.00 C ATOM 310 CE LYS A 21 15.666 5.336 -6.762 1.00 0.00 C ATOM 311 NZ LYS A 21 15.927 6.771 -7.041 1.00 0.00 N ATOM 0 H LYS A 21 16.465 6.944 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 21 15.045 4.590 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.700 5.142 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.825 3.632 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.832 5.001 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.899 6.391 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.482 5.148 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.449 3.734 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.936 4.744 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.599 5.190 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.817 6.952 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.251 7.356 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.896 7.011 -6.749 1.00 0.00 H new ATOM 321 N ARG A 22 17.795 4.625 0.096 1.00 0.00 N ATOM 322 CA ARG A 22 18.559 4.086 1.238 1.00 0.00 C ATOM 323 C ARG A 22 17.744 3.951 2.534 1.00 0.00 C ATOM 324 O ARG A 22 18.128 3.173 3.414 1.00 0.00 O ATOM 325 CB ARG A 22 19.759 5.012 1.530 1.00 0.00 C ATOM 326 CG ARG A 22 20.788 5.139 0.391 1.00 0.00 C ATOM 327 CD ARG A 22 20.449 6.116 -0.745 1.00 0.00 C ATOM 328 NE ARG A 22 20.252 7.506 -0.278 1.00 0.00 N ATOM 329 CZ ARG A 22 20.557 8.623 -0.914 1.00 0.00 C ATOM 330 NH1 ARG A 22 21.115 8.634 -2.092 1.00 0.00 N ATOM 331 NH2 ARG A 22 20.296 9.768 -0.364 1.00 0.00 N ATOM 0 H ARG A 22 18.105 5.568 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 22 18.868 3.083 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.380 6.006 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.271 4.646 2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 22 21.740 5.442 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.936 4.151 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.251 6.098 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.544 5.777 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 22 19.831 7.615 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.334 7.755 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.333 9.522 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.857 9.804 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.530 10.633 -0.851 1.00 0.00 H new ATOM 342 N LYS A 23 16.652 4.712 2.668 1.00 0.00 N ATOM 343 CA LYS A 23 15.788 4.840 3.860 1.00 0.00 C ATOM 344 C LYS A 23 14.328 5.108 3.425 1.00 0.00 C ATOM 345 O LYS A 23 13.859 6.248 3.527 1.00 0.00 O ATOM 346 CB LYS A 23 16.312 5.968 4.786 1.00 0.00 C ATOM 347 CG LYS A 23 17.768 5.799 5.254 1.00 0.00 C ATOM 348 CD LYS A 23 18.203 6.893 6.242 1.00 0.00 C ATOM 349 CE LYS A 23 18.295 8.269 5.568 1.00 0.00 C ATOM 350 NZ LYS A 23 18.768 9.308 6.515 1.00 0.00 N ATOM 0 H LYS A 23 16.322 5.296 1.899 1.00 0.00 H new ATOM 0 HA LYS A 23 15.812 3.907 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.223 6.919 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.668 6.026 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.883 4.823 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.428 5.814 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.493 6.940 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.171 6.632 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.975 8.214 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.317 8.550 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.819 10.225 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.106 9.377 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.712 9.052 6.869 1.00 0.00 H new ATOM 360 N PRO A 24 13.608 4.097 2.893 1.00 0.00 N ATOM 361 CA PRO A 24 12.314 4.302 2.238 1.00 0.00 C ATOM 362 C PRO A 24 11.211 4.705 3.232 1.00 0.00 C ATOM 363 O PRO A 24 11.264 4.372 4.421 1.00 0.00 O ATOM 364 CB PRO A 24 12.007 2.958 1.566 1.00 0.00 C ATOM 365 CG PRO A 24 12.679 1.945 2.491 1.00 0.00 C ATOM 366 CD PRO A 24 13.941 2.681 2.925 1.00 0.00 C ATOM 0 HA PRO A 24 12.351 5.125 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.934 2.782 1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.412 2.911 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.046 1.689 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.910 1.014 1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.248 2.374 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.772 2.460 2.255 1.00 0.00 H new ATOM 371 N TYR A 25 10.170 5.379 2.731 1.00 0.00 N ATOM 372 CA TYR A 25 8.906 5.562 3.454 1.00 0.00 C ATOM 373 C TYR A 25 8.044 4.288 3.361 1.00 0.00 C ATOM 374 O TYR A 25 8.327 3.368 2.583 1.00 0.00 O ATOM 375 CB TYR A 25 8.129 6.778 2.914 1.00 0.00 C ATOM 376 CG TYR A 25 8.850 8.119 2.940 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.830 8.433 1.979 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.489 9.080 3.902 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.446 9.700 1.964 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.118 10.339 3.914 1.00 0.00 C ATOM 381 CZ TYR A 25 10.098 10.654 2.948 1.00 0.00 C ATOM 382 OH TYR A 25 10.690 11.879 2.975 1.00 0.00 O ATOM 0 H TYR A 25 10.180 5.815 1.809 1.00 0.00 H new ATOM 0 HA TYR A 25 9.141 5.750 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.841 6.567 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.208 6.876 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.113 7.694 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.728 8.851 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.178 9.941 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.850 11.067 4.665 1.00 0.00 H new ATOM 0 HH TYR A 25 10.326 12.402 3.719 1.00 0.00 H new ATOM 391 N SER A 26 6.942 4.260 4.105 1.00 0.00 N ATOM 392 CA SER A 26 5.981 3.151 4.164 1.00 0.00 C ATOM 393 C SER A 26 4.573 3.672 3.945 1.00 0.00 C ATOM 394 O SER A 26 4.359 4.883 3.956 1.00 0.00 O ATOM 395 CB SER A 26 6.101 2.412 5.502 1.00 0.00 C ATOM 396 OG SER A 26 5.947 3.261 6.630 1.00 0.00 O ATOM 0 H SER A 26 6.679 5.038 4.709 1.00 0.00 H new ATOM 0 HA SER A 26 6.207 2.439 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.348 1.625 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.075 1.924 5.553 1.00 0.00 H new ATOM 0 HG SER A 26 6.032 2.733 7.451 1.00 0.00 H new ATOM 401 N ASP A 27 3.601 2.787 3.744 1.00 0.00 N ATOM 402 CA ASP A 27 2.202 3.161 3.547 1.00 0.00 C ATOM 403 C ASP A 27 1.625 4.075 4.654 1.00 0.00 C ATOM 404 O ASP A 27 0.867 4.991 4.344 1.00 0.00 O ATOM 405 CB ASP A 27 1.358 1.912 3.255 1.00 0.00 C ATOM 406 CG ASP A 27 1.331 0.828 4.355 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.793 1.064 5.497 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.771 -0.260 4.082 1.00 0.00 O ATOM 0 H ASP A 27 3.763 1.780 3.713 1.00 0.00 H new ATOM 0 HA ASP A 27 2.156 3.800 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.333 2.230 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.728 1.457 2.336 1.00 0.00 H new ATOM 412 N GLN A 28 2.023 3.945 5.924 1.00 0.00 N ATOM 413 CA GLN A 28 1.694 4.931 6.951 1.00 0.00 C ATOM 414 C GLN A 28 2.416 6.261 6.682 1.00 0.00 C ATOM 415 O GLN A 28 1.790 7.320 6.655 1.00 0.00 O ATOM 416 CB GLN A 28 2.023 4.358 8.341 1.00 0.00 C ATOM 417 CG GLN A 28 1.943 5.389 9.478 1.00 0.00 C ATOM 418 CD GLN A 28 0.573 6.057 9.629 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.307 5.577 10.334 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.330 7.187 8.993 1.00 0.00 N ATOM 0 H GLN A 28 2.577 3.159 6.264 1.00 0.00 H new ATOM 0 HA GLN A 28 0.626 5.145 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.336 3.540 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.027 3.934 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.200 4.898 10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.693 6.161 9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.049 7.604 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.576 7.644 9.093 1.00 0.00 H new ATOM 427 N GLU A 29 3.737 6.246 6.523 1.00 0.00 N ATOM 428 CA GLU A 29 4.522 7.465 6.406 1.00 0.00 C ATOM 429 C GLU A 29 4.125 8.305 5.188 1.00 0.00 C ATOM 430 O GLU A 29 3.815 9.484 5.362 1.00 0.00 O ATOM 431 CB GLU A 29 6.008 7.103 6.430 1.00 0.00 C ATOM 432 CG GLU A 29 6.498 6.520 7.765 1.00 0.00 C ATOM 433 CD GLU A 29 6.453 7.557 8.904 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.408 8.363 9.034 1.00 0.00 O ATOM 435 OE2 GLU A 29 5.466 7.574 9.680 1.00 0.00 O ATOM 0 H GLU A 29 4.289 5.390 6.472 1.00 0.00 H new ATOM 0 HA GLU A 29 4.311 8.108 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.206 6.381 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.591 7.995 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.882 5.662 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.519 6.156 7.648 1.00 0.00 H new ATOM 440 N ILE A 30 4.030 7.723 3.986 1.00 0.00 N ATOM 441 CA ILE A 30 3.524 8.428 2.798 1.00 0.00 C ATOM 442 C ILE A 30 2.096 8.940 2.992 1.00 0.00 C ATOM 443 O ILE A 30 1.819 10.070 2.602 1.00 0.00 O ATOM 444 CB ILE A 30 3.690 7.631 1.487 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.764 6.405 1.389 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.163 7.257 1.295 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.059 5.451 0.224 1.00 0.00 C ATOM 0 H ILE A 30 4.300 6.755 3.808 1.00 0.00 H new ATOM 0 HA ILE A 30 4.163 9.304 2.686 1.00 0.00 H new ATOM 0 HB ILE A 30 3.377 8.280 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.831 5.845 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.735 6.754 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.278 6.694 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.765 8.164 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.496 6.646 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.352 4.622 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.961 5.988 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.074 5.065 0.318 1.00 0.00 H new ATOM 458 N ALA A 31 1.209 8.187 3.657 1.00 0.00 N ATOM 459 CA ALA A 31 -0.163 8.661 3.899 1.00 0.00 C ATOM 460 C ALA A 31 -0.189 9.943 4.758 1.00 0.00 C ATOM 461 O ALA A 31 -1.028 10.824 4.557 1.00 0.00 O ATOM 462 CB ALA A 31 -0.967 7.555 4.586 1.00 0.00 C ATOM 0 H ALA A 31 1.411 7.260 4.033 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.610 8.906 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.984 7.903 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.994 6.673 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.497 7.300 5.536 1.00 0.00 H new ATOM 468 N ASN A 32 0.749 10.065 5.702 1.00 0.00 N ATOM 469 CA ASN A 32 0.862 11.200 6.609 1.00 0.00 C ATOM 470 C ASN A 32 1.278 12.492 5.896 1.00 0.00 C ATOM 471 O ASN A 32 0.573 13.492 5.994 1.00 0.00 O ATOM 472 CB ASN A 32 1.829 10.827 7.738 1.00 0.00 C ATOM 473 CG ASN A 32 1.958 11.937 8.770 1.00 0.00 C ATOM 474 OD1 ASN A 32 1.013 12.278 9.470 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.117 12.540 8.900 1.00 0.00 N ATOM 0 H ASN A 32 1.467 9.357 5.857 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.122 11.414 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.481 9.917 8.227 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.810 10.608 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.228 13.290 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.906 12.259 8.319 1.00 0.00 H new ATOM 481 N ILE A 33 2.397 12.494 5.169 1.00 0.00 N ATOM 482 CA ILE A 33 2.908 13.720 4.514 1.00 0.00 C ATOM 483 C ILE A 33 1.929 14.229 3.449 1.00 0.00 C ATOM 484 O ILE A 33 1.764 15.433 3.257 1.00 0.00 O ATOM 485 CB ILE A 33 4.295 13.508 3.874 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.285 12.749 4.790 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.917 14.851 3.464 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.705 11.448 4.113 1.00 0.00 C ATOM 0 H ILE A 33 2.973 11.666 5.014 1.00 0.00 H new ATOM 0 HA ILE A 33 3.007 14.467 5.301 1.00 0.00 H new ATOM 0 HB ILE A 33 4.122 12.888 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.160 13.367 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.818 12.537 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.895 14.677 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.269 15.347 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.029 15.484 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.402 10.912 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.825 10.829 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.188 11.672 3.162 1.00 0.00 H new ATOM 499 N LEU A 34 1.222 13.315 2.783 1.00 0.00 N ATOM 500 CA LEU A 34 0.195 13.612 1.779 1.00 0.00 C ATOM 501 C LEU A 34 -0.973 14.423 2.352 1.00 0.00 C ATOM 502 O LEU A 34 -1.601 15.213 1.638 1.00 0.00 O ATOM 503 CB LEU A 34 -0.271 12.274 1.168 1.00 0.00 C ATOM 504 CG LEU A 34 0.478 11.839 -0.112 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.988 12.093 -0.081 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.242 10.354 -0.385 1.00 0.00 C ATOM 0 H LEU A 34 1.351 12.314 2.931 1.00 0.00 H new ATOM 0 HA LEU A 34 0.622 14.246 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.159 11.492 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.334 12.348 0.940 1.00 0.00 H new ATOM 0 HG LEU A 34 0.066 12.461 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.433 11.758 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.175 13.159 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.433 11.543 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.775 10.061 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.607 9.767 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.825 10.174 -0.518 1.00 0.00 H new ATOM 517 N LYS A 35 -1.221 14.302 3.655 1.00 0.00 N ATOM 518 CA LYS A 35 -2.249 15.074 4.362 1.00 0.00 C ATOM 519 C LYS A 35 -1.799 16.507 4.685 1.00 0.00 C ATOM 520 O LYS A 35 -2.633 17.347 5.022 1.00 0.00 O ATOM 521 CB LYS A 35 -2.704 14.269 5.601 1.00 0.00 C ATOM 522 CG LYS A 35 -2.161 14.785 6.947 1.00 0.00 C ATOM 523 CD LYS A 35 -2.292 13.719 8.044 1.00 0.00 C ATOM 524 CE LYS A 35 -1.653 14.163 9.365 1.00 0.00 C ATOM 525 NZ LYS A 35 -2.399 15.273 10.012 1.00 0.00 N ATOM 0 H LYS A 35 -0.710 13.659 4.259 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.111 15.215 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.793 14.275 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.395 13.231 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.115 15.069 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.705 15.682 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.347 13.498 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.822 12.795 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.608 13.314 10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.626 14.478 9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.927 15.537 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.421 16.095 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.372 14.966 10.214 1.00 0.00 H new ATOM 535 N GLU A 36 -0.501 16.803 4.564 1.00 0.00 N ATOM 536 CA GLU A 36 0.065 18.120 4.886 1.00 0.00 C ATOM 537 C GLU A 36 0.069 19.066 3.675 1.00 0.00 C ATOM 538 O GLU A 36 0.331 20.263 3.832 1.00 0.00 O ATOM 539 CB GLU A 36 1.490 17.981 5.456 1.00 0.00 C ATOM 540 CG GLU A 36 1.557 17.092 6.704 1.00 0.00 C ATOM 541 CD GLU A 36 2.927 17.214 7.396 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.895 16.533 6.977 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.048 17.996 8.373 1.00 0.00 O ATOM 0 H GLU A 36 0.193 16.131 4.237 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.581 18.562 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.143 17.567 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.874 18.971 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.768 17.376 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.378 16.054 6.425 1.00 0.00 H new ATOM 548 N LYS A 37 -0.236 18.549 2.471 1.00 0.00 N ATOM 549 CA LYS A 37 -0.182 19.313 1.203 1.00 0.00 C ATOM 550 C LYS A 37 -1.457 19.253 0.361 1.00 0.00 C ATOM 551 O LYS A 37 -1.725 20.219 -0.360 1.00 0.00 O ATOM 552 CB LYS A 37 1.095 18.992 0.401 1.00 0.00 C ATOM 553 CG LYS A 37 1.503 17.519 0.477 1.00 0.00 C ATOM 554 CD LYS A 37 2.748 17.213 -0.355 1.00 0.00 C ATOM 555 CE LYS A 37 3.184 15.811 0.062 1.00 0.00 C ATOM 556 NZ LYS A 37 4.210 15.253 -0.854 1.00 0.00 N ATOM 0 H LYS A 37 -0.530 17.580 2.346 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.124 20.361 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.939 19.265 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.914 19.608 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.690 17.250 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.677 16.898 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.527 17.254 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.536 17.942 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.582 15.842 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.316 15.152 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.479 14.300 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.823 15.199 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.049 15.868 -0.852 1.00 0.00 H new ATOM 566 N GLY A 38 -2.311 18.235 0.524 1.00 0.00 N ATOM 567 CA GLY A 38 -3.748 18.396 0.262 1.00 0.00 C ATOM 568 C GLY A 38 -4.490 17.124 -0.129 1.00 0.00 C ATOM 569 O GLY A 38 -5.670 17.189 -0.480 1.00 0.00 O ATOM 0 H GLY A 38 -2.038 17.302 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.218 18.810 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.874 19.129 -0.535 1.00 0.00 H new ATOM 573 N PHE A 39 -3.817 15.971 -0.100 1.00 0.00 N ATOM 574 CA PHE A 39 -4.358 14.725 -0.628 1.00 0.00 C ATOM 575 C PHE A 39 -5.235 13.981 0.382 1.00 0.00 C ATOM 576 O PHE A 39 -6.053 13.150 -0.018 1.00 0.00 O ATOM 577 CB PHE A 39 -3.206 13.836 -1.101 1.00 0.00 C ATOM 578 CG PHE A 39 -2.262 14.539 -2.050 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.694 14.833 -3.353 1.00 0.00 C ATOM 580 CD2 PHE A 39 -0.982 14.943 -1.628 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.854 15.524 -4.237 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.144 15.645 -2.513 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.576 15.935 -3.820 1.00 0.00 C ATOM 0 H PHE A 39 -2.880 15.879 0.292 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.007 14.975 -1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.646 13.487 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.615 12.954 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.678 14.525 -3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.644 14.715 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.189 15.741 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.836 15.963 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.071 16.470 -4.499 1.00 0.00 H new ATOM 592 N LYS A 40 -5.053 14.296 1.679 1.00 0.00 N ATOM 593 CA LYS A 40 -5.679 13.747 2.898 1.00 0.00 C ATOM 594 C LYS A 40 -5.962 12.238 2.869 1.00 0.00 C ATOM 595 O LYS A 40 -6.898 11.775 3.523 1.00 0.00 O ATOM 596 CB LYS A 40 -6.878 14.629 3.320 1.00 0.00 C ATOM 597 CG LYS A 40 -7.930 14.884 2.224 1.00 0.00 C ATOM 598 CD LYS A 40 -9.398 14.770 2.673 1.00 0.00 C ATOM 599 CE LYS A 40 -9.945 13.349 2.479 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.620 12.438 3.603 1.00 0.00 N ATOM 0 H LYS A 40 -4.386 15.027 1.926 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.935 13.804 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.371 14.159 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.497 15.590 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.770 15.882 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.761 14.177 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.480 15.051 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.007 15.474 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.027 13.397 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.541 12.934 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.179 11.565 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.607 12.204 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.846 12.905 4.505 1.00 0.00 H new ATOM 610 N VAL A 41 -5.174 11.466 2.116 1.00 0.00 N ATOM 611 CA VAL A 41 -5.450 10.045 1.865 1.00 0.00 C ATOM 612 C VAL A 41 -4.890 9.189 3.016 1.00 0.00 C ATOM 613 O VAL A 41 -3.804 9.447 3.540 1.00 0.00 O ATOM 614 CB VAL A 41 -4.986 9.580 0.468 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.507 9.931 0.227 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.102 8.066 0.317 1.00 0.00 C ATOM 0 H VAL A 41 -4.326 11.806 1.662 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.531 9.905 1.848 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.630 10.090 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.209 9.591 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.373 11.011 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.889 9.440 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.767 7.773 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.481 7.577 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.141 7.765 0.454 1.00 0.00 H new ATOM 626 N ALA A 42 -5.639 8.172 3.422 1.00 0.00 N ATOM 627 CA ALA A 42 -5.333 7.205 4.459 1.00 0.00 C ATOM 628 C ALA A 42 -4.459 6.049 3.942 1.00 0.00 C ATOM 629 O ALA A 42 -4.362 5.772 2.741 1.00 0.00 O ATOM 630 CB ALA A 42 -6.664 6.679 5.017 1.00 0.00 C ATOM 0 H ALA A 42 -6.549 7.991 2.998 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.752 7.692 5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.466 5.948 5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.238 7.508 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.233 6.207 4.216 1.00 0.00 H new ATOM 636 N ARG A 43 -3.869 5.305 4.879 1.00 0.00 N ATOM 637 CA ARG A 43 -2.934 4.206 4.605 1.00 0.00 C ATOM 638 C ARG A 43 -3.511 3.115 3.713 1.00 0.00 C ATOM 639 O ARG A 43 -2.796 2.577 2.873 1.00 0.00 O ATOM 640 CB ARG A 43 -2.420 3.645 5.938 1.00 0.00 C ATOM 641 CG ARG A 43 -1.384 2.517 5.786 1.00 0.00 C ATOM 642 CD ARG A 43 -1.894 1.078 5.593 1.00 0.00 C ATOM 643 NE ARG A 43 -2.844 0.608 6.614 1.00 0.00 N ATOM 644 CZ ARG A 43 -3.367 -0.606 6.638 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.078 -1.509 5.743 1.00 0.00 N ATOM 646 NH2 ARG A 43 -4.205 -0.963 7.563 1.00 0.00 N ATOM 0 H ARG A 43 -4.030 5.452 5.875 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.102 4.614 4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.976 4.456 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.267 3.271 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.749 2.762 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.748 2.528 6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.371 1.007 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.037 0.405 5.579 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.116 1.260 7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.427 -1.290 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.503 -2.435 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.473 -0.301 8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.596 -1.905 7.561 1.00 0.00 H new ATOM 657 N ARG A 44 -4.797 2.796 3.858 1.00 0.00 N ATOM 658 CA ARG A 44 -5.434 1.659 3.169 1.00 0.00 C ATOM 659 C ARG A 44 -5.370 1.845 1.662 1.00 0.00 C ATOM 660 O ARG A 44 -5.153 0.902 0.907 1.00 0.00 O ATOM 661 CB ARG A 44 -6.893 1.522 3.646 1.00 0.00 C ATOM 662 CG ARG A 44 -7.316 0.053 3.822 1.00 0.00 C ATOM 663 CD ARG A 44 -7.628 -0.653 2.492 1.00 0.00 C ATOM 664 NE ARG A 44 -7.205 -2.063 2.518 1.00 0.00 N ATOM 665 CZ ARG A 44 -6.050 -2.572 2.131 1.00 0.00 C ATOM 666 NH1 ARG A 44 -5.101 -1.865 1.585 1.00 0.00 N ATOM 667 NH2 ARG A 44 -5.815 -3.837 2.279 1.00 0.00 N ATOM 0 H ARG A 44 -5.435 3.318 4.459 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.896 0.743 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.014 2.048 4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.555 2.004 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.521 -0.488 4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.196 0.010 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.698 -0.597 2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.123 -0.135 1.677 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.888 -2.728 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.231 -0.864 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.228 -2.313 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.523 -4.442 2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.922 -4.228 1.979 1.00 0.00 H new ATOM 678 N THR A 45 -5.544 3.090 1.252 1.00 0.00 N ATOM 679 CA THR A 45 -5.628 3.572 -0.098 1.00 0.00 C ATOM 680 C THR A 45 -4.244 3.680 -0.694 1.00 0.00 C ATOM 681 O THR A 45 -3.966 3.197 -1.791 1.00 0.00 O ATOM 682 CB THR A 45 -6.210 4.984 -0.015 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.253 5.108 0.936 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.696 5.402 -1.375 1.00 0.00 C ATOM 0 H THR A 45 -5.637 3.851 1.925 1.00 0.00 H new ATOM 0 HA THR A 45 -6.233 2.901 -0.709 1.00 0.00 H new ATOM 0 HB THR A 45 -5.410 5.642 0.324 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.581 6.031 0.943 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.112 6.408 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.863 5.392 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.466 4.710 -1.715 1.00 0.00 H new ATOM 692 N VAL A 46 -3.354 4.312 0.068 1.00 0.00 N ATOM 693 CA VAL A 46 -2.010 4.601 -0.375 1.00 0.00 C ATOM 694 C VAL A 46 -1.201 3.304 -0.550 1.00 0.00 C ATOM 695 O VAL A 46 -0.339 3.212 -1.426 1.00 0.00 O ATOM 696 CB VAL A 46 -1.376 5.619 0.592 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.491 4.976 1.645 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.550 6.659 -0.160 1.00 0.00 C ATOM 0 H VAL A 46 -3.555 4.636 1.014 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.018 5.061 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.217 6.095 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.076 5.748 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.082 4.281 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.321 4.437 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.116 7.362 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.248 6.161 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.191 7.197 -0.858 1.00 0.00 H new ATOM 708 N ALA A 47 -1.534 2.275 0.243 1.00 0.00 N ATOM 709 CA ALA A 47 -0.931 0.952 0.219 1.00 0.00 C ATOM 710 C ALA A 47 -1.279 0.193 -1.064 1.00 0.00 C ATOM 711 O ALA A 47 -0.427 -0.489 -1.639 1.00 0.00 O ATOM 712 CB ALA A 47 -1.429 0.157 1.430 1.00 0.00 C ATOM 0 H ALA A 47 -2.266 2.356 0.948 1.00 0.00 H new ATOM 0 HA ALA A 47 0.152 1.070 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.982 -0.837 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.145 0.674 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.514 0.068 1.385 1.00 0.00 H new ATOM 718 N LYS A 48 -2.526 0.343 -1.537 1.00 0.00 N ATOM 719 CA LYS A 48 -2.988 -0.233 -2.803 1.00 0.00 C ATOM 720 C LYS A 48 -2.251 0.377 -3.995 1.00 0.00 C ATOM 721 O LYS A 48 -2.013 -0.298 -4.996 1.00 0.00 O ATOM 722 CB LYS A 48 -4.504 -0.010 -2.940 1.00 0.00 C ATOM 723 CG LYS A 48 -5.325 -0.954 -2.052 1.00 0.00 C ATOM 724 CD LYS A 48 -6.826 -0.678 -2.214 1.00 0.00 C ATOM 725 CE LYS A 48 -7.619 -1.596 -1.281 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.076 -1.552 -1.563 1.00 0.00 N ATOM 0 H LYS A 48 -3.246 0.873 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.774 -1.302 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.740 1.022 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.795 -0.152 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.110 -1.989 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.036 -0.824 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.041 0.365 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.128 -0.845 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.260 -2.620 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.441 -1.303 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.576 -2.188 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.425 -0.581 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.249 -1.857 -2.542 1.00 0.00 H new ATOM 736 N TYR A 49 -1.877 1.652 -3.880 1.00 0.00 N ATOM 737 CA TYR A 49 -1.323 2.431 -4.982 1.00 0.00 C ATOM 738 C TYR A 49 0.147 2.129 -5.216 1.00 0.00 C ATOM 739 O TYR A 49 0.506 1.791 -6.344 1.00 0.00 O ATOM 740 CB TYR A 49 -1.609 3.920 -4.776 1.00 0.00 C ATOM 741 CG TYR A 49 -2.972 4.328 -5.314 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.073 3.443 -5.311 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.109 5.597 -5.897 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.273 3.811 -5.951 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.310 5.984 -6.513 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.388 5.080 -6.558 1.00 0.00 C ATOM 747 OH TYR A 49 -6.552 5.472 -7.133 1.00 0.00 O ATOM 0 H TYR A 49 -1.952 2.176 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.824 2.131 -5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.556 4.154 -3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.835 4.508 -5.270 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.995 2.485 -4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.278 6.286 -5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.105 3.122 -5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.406 6.967 -6.949 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.448 6.375 -7.500 1.00 0.00 H new ATOM 756 N ARG A 50 0.990 2.131 -4.174 1.00 0.00 N ATOM 757 CA ARG A 50 2.387 1.683 -4.343 1.00 0.00 C ATOM 758 C ARG A 50 2.478 0.289 -4.971 1.00 0.00 C ATOM 759 O ARG A 50 3.362 0.041 -5.789 1.00 0.00 O ATOM 760 CB ARG A 50 3.206 1.820 -3.045 1.00 0.00 C ATOM 761 CG ARG A 50 2.628 1.144 -1.790 1.00 0.00 C ATOM 762 CD ARG A 50 3.688 0.942 -0.697 1.00 0.00 C ATOM 763 NE ARG A 50 4.446 2.168 -0.369 1.00 0.00 N ATOM 764 CZ ARG A 50 5.593 2.219 0.289 1.00 0.00 C ATOM 765 NH1 ARG A 50 6.137 1.168 0.815 1.00 0.00 N ATOM 766 NH2 ARG A 50 6.248 3.336 0.431 1.00 0.00 N ATOM 0 H ARG A 50 0.743 2.428 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 50 2.852 2.361 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.200 1.411 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.332 2.882 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.813 1.751 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.202 0.178 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.200 0.575 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.386 0.169 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 50 4.049 3.055 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.680 0.260 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.023 1.248 1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.879 4.198 0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.130 3.348 0.943 1.00 0.00 H new ATOM 777 N GLU A 51 1.502 -0.574 -4.690 1.00 0.00 N ATOM 778 CA GLU A 51 1.449 -1.942 -5.223 1.00 0.00 C ATOM 779 C GLU A 51 1.094 -1.974 -6.722 1.00 0.00 C ATOM 780 O GLU A 51 1.643 -2.789 -7.466 1.00 0.00 O ATOM 781 CB GLU A 51 0.466 -2.772 -4.375 1.00 0.00 C ATOM 782 CG GLU A 51 0.701 -4.290 -4.411 1.00 0.00 C ATOM 783 CD GLU A 51 0.259 -4.985 -5.715 1.00 0.00 C ATOM 784 OE1 GLU A 51 -0.878 -4.746 -6.194 1.00 0.00 O ATOM 785 OE2 GLU A 51 1.025 -5.832 -6.241 1.00 0.00 O ATOM 0 H GLU A 51 0.717 -0.344 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 51 2.442 -2.386 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.527 -2.434 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.548 -2.568 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.763 -4.482 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.169 -4.745 -3.576 1.00 0.00 H new ATOM 790 N MET A 52 0.213 -1.076 -7.186 1.00 0.00 N ATOM 791 CA MET A 52 -0.273 -1.056 -8.576 1.00 0.00 C ATOM 792 C MET A 52 0.637 -0.278 -9.541 1.00 0.00 C ATOM 793 O MET A 52 0.721 -0.638 -10.721 1.00 0.00 O ATOM 794 CB MET A 52 -1.731 -0.560 -8.639 1.00 0.00 C ATOM 795 CG MET A 52 -1.887 0.963 -8.735 1.00 0.00 C ATOM 796 SD MET A 52 -3.593 1.553 -8.611 1.00 0.00 S ATOM 797 CE MET A 52 -3.295 3.317 -8.907 1.00 0.00 C ATOM 0 H MET A 52 -0.186 -0.338 -6.605 1.00 0.00 H new ATOM 0 HA MET A 52 -0.242 -2.088 -8.925 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.219 -1.016 -9.500 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.258 -0.910 -7.752 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.298 1.426 -7.944 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.468 1.299 -9.683 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.246 3.849 -8.922 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.667 3.719 -8.111 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.792 3.445 -9.865 1.00 0.00 H new ATOM 805 N LEU A 53 1.323 0.774 -9.068 1.00 0.00 N ATOM 806 CA LEU A 53 2.272 1.560 -9.862 1.00 0.00 C ATOM 807 C LEU A 53 3.514 0.728 -10.235 1.00 0.00 C ATOM 808 O LEU A 53 3.779 0.510 -11.422 1.00 0.00 O ATOM 809 CB LEU A 53 2.662 2.849 -9.113 1.00 0.00 C ATOM 810 CG LEU A 53 1.683 4.030 -9.327 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.682 4.167 -8.177 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.487 5.325 -9.450 1.00 0.00 C ATOM 0 H LEU A 53 1.230 1.105 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 53 1.783 1.844 -10.794 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.723 2.632 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.658 3.155 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 53 1.116 3.834 -10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.017 5.008 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.095 3.252 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.220 4.338 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.806 6.163 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.062 5.484 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.167 5.252 -10.299 1.00 0.00 H new ATOM 823 N GLY A 54 4.271 0.254 -9.237 1.00 0.00 N ATOM 824 CA GLY A 54 5.406 -0.655 -9.459 1.00 0.00 C ATOM 825 C GLY A 54 6.277 -1.021 -8.248 1.00 0.00 C ATOM 826 O GLY A 54 7.213 -1.812 -8.397 1.00 0.00 O ATOM 0 H GLY A 54 4.116 0.488 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.016 -1.580 -9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.052 -0.206 -10.213 1.00 0.00 H new ATOM 830 N ILE A 55 6.015 -0.470 -7.059 1.00 0.00 N ATOM 831 CA ILE A 55 6.751 -0.775 -5.822 1.00 0.00 C ATOM 832 C ILE A 55 6.294 -2.138 -5.249 1.00 0.00 C ATOM 833 O ILE A 55 5.087 -2.372 -5.116 1.00 0.00 O ATOM 834 CB ILE A 55 6.570 0.388 -4.818 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.442 1.587 -5.255 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.907 -0.003 -3.370 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.876 2.937 -4.792 1.00 0.00 C ATOM 0 H ILE A 55 5.271 0.215 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 55 7.817 -0.866 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 55 5.514 0.658 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.448 1.464 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.530 1.589 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.759 0.857 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.255 -0.816 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.946 -0.327 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.531 3.741 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.881 3.079 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.813 2.951 -3.704 1.00 0.00 H new ATOM 848 N PRO A 56 7.224 -3.041 -4.875 1.00 0.00 N ATOM 849 CA PRO A 56 6.903 -4.261 -4.136 1.00 0.00 C ATOM 850 C PRO A 56 6.486 -3.907 -2.698 1.00 0.00 C ATOM 851 O PRO A 56 5.323 -4.063 -2.320 1.00 0.00 O ATOM 852 CB PRO A 56 8.155 -5.136 -4.240 1.00 0.00 C ATOM 853 CG PRO A 56 9.309 -4.150 -4.439 1.00 0.00 C ATOM 854 CD PRO A 56 8.661 -2.909 -5.055 1.00 0.00 C ATOM 0 HA PRO A 56 6.051 -4.809 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.296 -5.733 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.082 -5.833 -5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.795 -3.914 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.074 -4.564 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.028 -2.003 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.911 -2.829 -6.113 1.00 0.00 H new ATOM 859 N SER A 57 7.427 -3.363 -1.920 1.00 0.00 N ATOM 860 CA SER A 57 7.196 -2.648 -0.650 1.00 0.00 C ATOM 861 C SER A 57 8.249 -1.570 -0.331 1.00 0.00 C ATOM 862 O SER A 57 8.194 -0.900 0.701 1.00 0.00 O ATOM 863 CB SER A 57 7.154 -3.664 0.492 1.00 0.00 C ATOM 864 OG SER A 57 8.452 -4.165 0.756 1.00 0.00 O ATOM 0 H SER A 57 8.416 -3.408 -2.165 1.00 0.00 H new ATOM 0 HA SER A 57 6.247 -2.123 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.749 -3.196 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.486 -4.485 0.232 1.00 0.00 H new ATOM 0 HG SER A 57 8.410 -4.813 1.490 1.00 0.00 H new ATOM 869 N SER A 58 9.258 -1.445 -1.197 1.00 0.00 N ATOM 870 CA SER A 58 10.525 -0.704 -1.040 1.00 0.00 C ATOM 871 C SER A 58 11.401 -1.111 0.157 1.00 0.00 C ATOM 872 O SER A 58 12.570 -0.728 0.204 1.00 0.00 O ATOM 873 CB SER A 58 10.302 0.815 -1.073 1.00 0.00 C ATOM 874 OG SER A 58 9.848 1.215 -2.355 1.00 0.00 O ATOM 0 H SER A 58 9.211 -1.898 -2.110 1.00 0.00 H new ATOM 0 HA SER A 58 11.107 -1.002 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.572 1.099 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.231 1.332 -0.830 1.00 0.00 H new ATOM 0 HG SER A 58 9.707 2.185 -2.364 1.00 0.00 H new ATOM 879 N ARG A 59 10.913 -1.962 1.072 1.00 0.00 N ATOM 880 CA ARG A 59 11.670 -2.533 2.197 1.00 0.00 C ATOM 881 C ARG A 59 12.633 -3.581 1.660 1.00 0.00 C ATOM 882 O ARG A 59 13.798 -3.613 2.043 1.00 0.00 O ATOM 883 CB ARG A 59 10.652 -3.102 3.206 1.00 0.00 C ATOM 884 CG ARG A 59 11.219 -3.857 4.419 1.00 0.00 C ATOM 885 CD ARG A 59 10.035 -4.248 5.321 1.00 0.00 C ATOM 886 NE ARG A 59 10.390 -5.211 6.379 1.00 0.00 N ATOM 887 CZ ARG A 59 9.561 -5.703 7.285 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.329 -5.289 7.402 1.00 0.00 N ATOM 889 NH2 ARG A 59 9.956 -6.636 8.099 1.00 0.00 N ATOM 0 H ARG A 59 9.945 -2.283 1.048 1.00 0.00 H new ATOM 0 HA ARG A 59 12.274 -1.787 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.043 -2.277 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.984 -3.776 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.764 -4.744 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.925 -3.230 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.628 -3.348 5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.245 -4.675 4.704 1.00 0.00 H new ATOM 0 HE ARG A 59 11.360 -5.526 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.975 -4.561 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.720 -5.694 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.910 -6.993 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.312 -7.011 8.795 1.00 0.00 H new ATOM 900 N GLU A 60 12.155 -4.372 0.696 1.00 0.00 N ATOM 901 CA GLU A 60 12.939 -5.376 -0.023 1.00 0.00 C ATOM 902 C GLU A 60 13.840 -4.803 -1.135 1.00 0.00 C ATOM 903 O GLU A 60 14.845 -5.426 -1.491 1.00 0.00 O ATOM 904 CB GLU A 60 12.044 -6.511 -0.550 1.00 0.00 C ATOM 905 CG GLU A 60 10.759 -6.081 -1.274 1.00 0.00 C ATOM 906 CD GLU A 60 10.232 -7.244 -2.133 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.691 -7.401 -3.290 1.00 0.00 O ATOM 908 OE2 GLU A 60 9.358 -8.011 -1.659 1.00 0.00 O ATOM 0 H GLU A 60 11.184 -4.329 0.386 1.00 0.00 H new ATOM 0 HA GLU A 60 13.627 -5.789 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.633 -7.123 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.767 -7.147 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.004 -5.782 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.958 -5.213 -1.903 1.00 0.00 H new ATOM 913 N ARG A 61 13.538 -3.600 -1.650 1.00 0.00 N ATOM 914 CA ARG A 61 14.432 -2.841 -2.546 1.00 0.00 C ATOM 915 C ARG A 61 15.642 -2.273 -1.801 1.00 0.00 C ATOM 916 O ARG A 61 16.757 -2.305 -2.329 1.00 0.00 O ATOM 917 CB ARG A 61 13.677 -1.696 -3.239 1.00 0.00 C ATOM 918 CG ARG A 61 12.598 -2.213 -4.203 1.00 0.00 C ATOM 919 CD ARG A 61 11.797 -1.078 -4.856 1.00 0.00 C ATOM 920 NE ARG A 61 12.625 -0.202 -5.707 1.00 0.00 N ATOM 921 CZ ARG A 61 12.248 0.936 -6.266 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.046 1.413 -6.109 1.00 0.00 N ATOM 923 NH2 ARG A 61 13.077 1.623 -6.996 1.00 0.00 N ATOM 0 H ARG A 61 12.659 -3.121 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 61 14.790 -3.545 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.214 -1.060 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.385 -1.076 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.069 -2.814 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.916 -2.869 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.995 -1.506 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.326 -0.478 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 61 13.583 -0.504 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.366 0.906 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.785 2.293 -6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.028 1.285 -7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.776 2.499 -7.422 1.00 0.00 H new ATOM 934 N ARG A 62 15.428 -1.737 -0.590 1.00 0.00 N ATOM 935 CA ARG A 62 16.445 -1.079 0.229 1.00 0.00 C ATOM 936 C ARG A 62 17.410 -2.071 0.892 1.00 0.00 C ATOM 937 O ARG A 62 18.624 -1.953 0.700 1.00 0.00 O ATOM 938 CB ARG A 62 15.693 -0.214 1.249 1.00 0.00 C ATOM 939 CG ARG A 62 16.616 0.477 2.258 1.00 0.00 C ATOM 940 CD ARG A 62 16.183 0.124 3.677 1.00 0.00 C ATOM 941 NE ARG A 62 17.053 0.783 4.669 1.00 0.00 N ATOM 942 CZ ARG A 62 17.138 0.538 5.962 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.422 -0.383 6.542 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.953 1.229 6.704 1.00 0.00 N ATOM 0 H ARG A 62 14.511 -1.753 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 62 17.091 -0.461 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.116 0.543 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.980 -0.838 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.648 0.166 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.583 1.557 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.149 0.430 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.220 -0.957 3.815 1.00 0.00 H new ATOM 0 HE ARG A 62 17.663 1.518 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.769 -0.942 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.514 -0.545 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.527 1.961 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.018 1.039 7.704 1.00 0.00 H new ATOM 955 N ILE A 63 16.878 -2.977 1.722 1.00 0.00 N ATOM 956 CA ILE A 63 17.639 -3.851 2.645 1.00 0.00 C ATOM 957 C ILE A 63 18.745 -4.687 1.970 1.00 0.00 C ATOM 958 O ILE A 63 19.849 -4.780 2.558 1.00 0.00 O ATOM 959 CB ILE A 63 16.666 -4.681 3.517 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.304 -5.202 4.822 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.064 -5.863 2.741 1.00 0.00 C ATOM 962 CD1 ILE A 63 17.662 -4.088 5.814 1.00 0.00 C ATOM 963 OXT ILE A 63 18.535 -5.224 0.855 1.00 0.00 O ATOM 0 H ILE A 63 15.871 -3.133 1.777 1.00 0.00 H new ATOM 0 HA ILE A 63 18.206 -3.199 3.309 1.00 0.00 H new ATOM 0 HB ILE A 63 15.873 -3.985 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.615 -5.897 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.206 -5.764 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.387 -6.418 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.513 -5.489 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.864 -6.522 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.106 -4.526 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.375 -3.405 5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.760 -3.541 6.088 1.00 0.00 H new