USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 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 1 MET CE :methyl 142:sc= -0.218 (180deg=-2.95!) USER MOD Single : A 1 MET N :NH3+ -169:sc= -1.31 (180deg=-1.47) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 12 SER OG : rot 180:sc= -0.056 USER MOD Single : A 13 TYR OH : rot 17:sc= 1.26 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -10:sc= 1.11 USER MOD Single : A 19 MET CE :methyl 175:sc= -5.87! (180deg=-6.14!) USER MOD Single : A 20 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.38) USER MOD Single : A 22 ASN : amide:sc= -0.0424 K(o=-0.042,f=-3.2!) USER MOD Single : A 31 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -54:sc= 0.0312 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.677 -4.887 -1.278 1.00 0.00 N ATOM 2 CA MET A 1 11.179 -4.919 -2.677 1.00 0.00 C ATOM 3 C MET A 1 11.549 -6.233 -3.362 1.00 0.00 C ATOM 4 O MET A 1 10.736 -6.823 -4.074 1.00 0.00 O ATOM 5 CB MET A 1 11.783 -3.735 -3.439 1.00 0.00 C ATOM 6 CG MET A 1 10.866 -2.525 -3.511 1.00 0.00 C ATOM 7 SD MET A 1 10.914 -1.527 -2.011 1.00 0.00 S ATOM 8 CE MET A 1 9.463 -2.133 -1.154 1.00 0.00 C ATOM 0 H1 MET A 1 11.259 -4.076 -0.779 1.00 0.00 H new ATOM 0 H2 MET A 1 11.409 -5.767 -0.794 1.00 0.00 H new ATOM 0 H3 MET A 1 12.713 -4.795 -1.280 1.00 0.00 H new ATOM 0 HA MET A 1 10.092 -4.845 -2.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.718 -3.444 -2.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.030 -4.054 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.152 -1.908 -4.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.844 -2.859 -3.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.669 -2.189 -0.085 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.628 -1.454 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.208 -3.125 -1.527 1.00 0.00 H new ATOM 20 N ARG A 2 12.780 -6.685 -3.141 1.00 0.00 N ATOM 21 CA ARG A 2 13.256 -7.929 -3.738 1.00 0.00 C ATOM 22 C ARG A 2 12.520 -9.131 -3.154 1.00 0.00 C ATOM 23 O ARG A 2 11.997 -9.967 -3.890 1.00 0.00 O ATOM 24 CB ARG A 2 14.764 -8.080 -3.514 1.00 0.00 C ATOM 25 CG ARG A 2 15.501 -8.647 -4.717 1.00 0.00 C ATOM 26 CD ARG A 2 15.803 -7.568 -5.743 1.00 0.00 C ATOM 27 NE ARG A 2 16.525 -8.098 -6.898 1.00 0.00 N ATOM 28 CZ ARG A 2 16.776 -7.401 -8.007 1.00 0.00 C ATOM 29 NH1 ARG A 2 16.366 -6.141 -8.123 1.00 0.00 N ATOM 30 NH2 ARG A 2 17.441 -7.966 -9.004 1.00 0.00 N ATOM 0 H ARG A 2 13.465 -6.209 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 2 13.055 -7.890 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.186 -7.106 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.933 -8.729 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.432 -9.110 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.899 -9.431 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.870 -7.113 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 2 16.394 -6.779 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 2 16.858 -9.061 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.854 -5.699 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 2 16.563 -5.617 -8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.759 -8.932 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.634 -7.435 -9.853 1.00 0.00 H new ATOM 44 N LYS A 3 12.480 -9.209 -1.828 1.00 0.00 N ATOM 45 CA LYS A 3 11.805 -10.307 -1.146 1.00 0.00 C ATOM 46 C LYS A 3 11.734 -10.053 0.355 1.00 0.00 C ATOM 47 O LYS A 3 12.702 -10.277 1.082 1.00 0.00 O ATOM 48 CB LYS A 3 12.524 -11.630 -1.423 1.00 0.00 C ATOM 49 CG LYS A 3 14.012 -11.595 -1.115 1.00 0.00 C ATOM 50 CD LYS A 3 14.720 -12.828 -1.650 1.00 0.00 C ATOM 51 CE LYS A 3 16.179 -12.541 -1.961 1.00 0.00 C ATOM 52 NZ LYS A 3 16.377 -12.153 -3.385 1.00 0.00 N ATOM 0 H LYS A 3 12.907 -8.525 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 3 10.788 -10.371 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.058 -12.417 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.385 -11.896 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.455 -10.701 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.160 -11.528 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.654 -13.633 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.216 -13.176 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.538 -11.741 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.778 -13.424 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.385 -11.966 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.058 -12.926 -4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.826 -11.296 -3.591 1.00 0.00 H new ATOM 66 N LEU A 4 10.580 -9.583 0.815 1.00 0.00 N ATOM 67 CA LEU A 4 10.379 -9.297 2.232 1.00 0.00 C ATOM 68 C LEU A 4 9.154 -10.034 2.760 1.00 0.00 C ATOM 69 O LEU A 4 8.153 -10.177 2.058 1.00 0.00 O ATOM 70 CB LEU A 4 10.212 -7.789 2.463 1.00 0.00 C ATOM 71 CG LEU A 4 10.998 -6.882 1.509 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.668 -5.421 1.771 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.493 -7.125 1.654 1.00 0.00 C ATOM 0 H LEU A 4 9.768 -9.392 0.227 1.00 0.00 H new ATOM 0 HA LEU A 4 11.261 -9.642 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.154 -7.542 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.514 -7.560 3.485 1.00 0.00 H new ATOM 0 HG LEU A 4 10.707 -7.123 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.235 -4.791 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.601 -5.256 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.931 -5.167 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.036 -6.473 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.799 -6.911 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.717 -8.165 1.418 1.00 0.00 H new ATOM 85 N SER A 5 9.234 -10.492 4.007 1.00 0.00 N ATOM 86 CA SER A 5 8.123 -11.204 4.632 1.00 0.00 C ATOM 87 C SER A 5 6.894 -10.314 4.696 1.00 0.00 C ATOM 88 O SER A 5 7.003 -9.091 4.609 1.00 0.00 O ATOM 89 CB SER A 5 8.511 -11.663 6.039 1.00 0.00 C ATOM 90 OG SER A 5 9.843 -12.148 6.070 1.00 0.00 O ATOM 0 H SER A 5 10.054 -10.383 4.603 1.00 0.00 H new ATOM 0 HA SER A 5 7.890 -12.081 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.407 -10.832 6.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.828 -12.445 6.371 1.00 0.00 H new ATOM 0 HG SER A 5 10.066 -12.433 6.981 1.00 0.00 H new ATOM 96 N ASP A 6 5.719 -10.923 4.857 1.00 0.00 N ATOM 97 CA ASP A 6 4.477 -10.151 4.939 1.00 0.00 C ATOM 98 C ASP A 6 4.594 -9.078 6.016 1.00 0.00 C ATOM 99 O ASP A 6 3.976 -8.025 5.927 1.00 0.00 O ATOM 100 CB ASP A 6 3.266 -11.048 5.236 1.00 0.00 C ATOM 101 CG ASP A 6 3.309 -12.372 4.493 1.00 0.00 C ATOM 102 OD1 ASP A 6 3.814 -12.396 3.351 1.00 0.00 O ATOM 103 OD2 ASP A 6 2.838 -13.383 5.054 1.00 0.00 O ATOM 0 H ASP A 6 5.600 -11.933 4.932 1.00 0.00 H new ATOM 0 HA ASP A 6 4.320 -9.682 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.218 -11.241 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.353 -10.517 4.967 1.00 0.00 H new ATOM 108 N GLU A 7 5.409 -9.345 7.026 1.00 0.00 N ATOM 109 CA GLU A 7 5.605 -8.386 8.102 1.00 0.00 C ATOM 110 C GLU A 7 6.320 -7.145 7.583 1.00 0.00 C ATOM 111 O GLU A 7 6.008 -6.026 7.984 1.00 0.00 O ATOM 112 CB GLU A 7 6.395 -9.022 9.251 1.00 0.00 C ATOM 113 CG GLU A 7 5.539 -9.360 10.460 1.00 0.00 C ATOM 114 CD GLU A 7 5.964 -10.651 11.134 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.181 -10.936 11.156 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.081 -11.375 11.638 1.00 0.00 O ATOM 0 H GLU A 7 5.941 -10.210 7.123 1.00 0.00 H new ATOM 0 HA GLU A 7 4.628 -8.088 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.877 -9.931 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.189 -8.340 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.595 -8.543 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.497 -9.442 10.151 1.00 0.00 H new ATOM 123 N LEU A 8 7.270 -7.356 6.685 1.00 0.00 N ATOM 124 CA LEU A 8 8.027 -6.258 6.097 1.00 0.00 C ATOM 125 C LEU A 8 7.260 -5.613 4.950 1.00 0.00 C ATOM 126 O LEU A 8 7.313 -4.398 4.758 1.00 0.00 O ATOM 127 CB LEU A 8 9.383 -6.755 5.605 1.00 0.00 C ATOM 128 CG LEU A 8 10.481 -6.774 6.667 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.919 -5.356 7.004 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.011 -7.502 7.920 1.00 0.00 C ATOM 0 H LEU A 8 7.537 -8.280 6.346 1.00 0.00 H new ATOM 0 HA LEU A 8 8.181 -5.505 6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.263 -7.763 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.708 -6.124 4.778 1.00 0.00 H new ATOM 0 HG LEU A 8 11.337 -7.314 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.702 -5.387 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.302 -4.871 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.067 -4.793 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.810 -7.503 8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.137 -6.995 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.750 -8.530 7.667 1.00 0.00 H new ATOM 142 N LEU A 9 6.551 -6.436 4.186 1.00 0.00 N ATOM 143 CA LEU A 9 5.776 -5.950 3.053 1.00 0.00 C ATOM 144 C LEU A 9 4.503 -5.252 3.510 1.00 0.00 C ATOM 145 O LEU A 9 4.086 -4.254 2.922 1.00 0.00 O ATOM 146 CB LEU A 9 5.432 -7.105 2.110 1.00 0.00 C ATOM 147 CG LEU A 9 4.987 -6.687 0.709 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.110 -5.959 -0.013 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.537 -7.902 -0.090 1.00 0.00 C ATOM 0 H LEU A 9 6.498 -7.444 4.332 1.00 0.00 H new ATOM 0 HA LEU A 9 6.387 -5.222 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.305 -7.752 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.640 -7.700 2.564 1.00 0.00 H new ATOM 0 HG LEU A 9 4.142 -6.005 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.775 -5.669 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.387 -5.068 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.974 -6.617 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.223 -7.587 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.364 -8.607 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.701 -8.383 0.419 1.00 0.00 H new ATOM 161 N ILE A 10 3.889 -5.777 4.562 1.00 0.00 N ATOM 162 CA ILE A 10 2.667 -5.191 5.085 1.00 0.00 C ATOM 163 C ILE A 10 2.975 -3.911 5.848 1.00 0.00 C ATOM 164 O ILE A 10 2.255 -2.919 5.731 1.00 0.00 O ATOM 165 CB ILE A 10 1.900 -6.188 5.980 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.470 -7.391 5.147 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.682 -5.537 6.626 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.151 -8.604 5.980 1.00 0.00 C ATOM 0 H ILE A 10 4.216 -6.602 5.065 1.00 0.00 H new ATOM 0 HA ILE A 10 2.025 -4.947 4.239 1.00 0.00 H new ATOM 0 HB ILE A 10 2.566 -6.512 6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.594 -7.122 4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.264 -7.640 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.166 -6.268 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.002 -4.697 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.005 -5.180 5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.852 -9.425 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.033 -8.896 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.337 -8.370 6.666 1.00 0.00 H new ATOM 180 N GLU A 11 4.059 -3.927 6.611 1.00 0.00 N ATOM 181 CA GLU A 11 4.464 -2.753 7.367 1.00 0.00 C ATOM 182 C GLU A 11 4.760 -1.597 6.421 1.00 0.00 C ATOM 183 O GLU A 11 4.600 -0.436 6.784 1.00 0.00 O ATOM 184 CB GLU A 11 5.691 -3.061 8.223 1.00 0.00 C ATOM 185 CG GLU A 11 5.353 -3.493 9.642 1.00 0.00 C ATOM 186 CD GLU A 11 4.365 -4.642 9.686 1.00 0.00 C ATOM 187 OE1 GLU A 11 3.214 -4.453 9.239 1.00 0.00 O ATOM 188 OE2 GLU A 11 4.742 -5.733 10.164 1.00 0.00 O ATOM 0 H GLU A 11 4.670 -4.736 6.722 1.00 0.00 H new ATOM 0 HA GLU A 11 3.645 -2.468 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.271 -3.848 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.326 -2.176 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.269 -3.787 10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.941 -2.644 10.187 1.00 0.00 H new ATOM 195 N SER A 12 5.179 -1.923 5.199 1.00 0.00 N ATOM 196 CA SER A 12 5.477 -0.901 4.204 1.00 0.00 C ATOM 197 C SER A 12 4.182 -0.307 3.673 1.00 0.00 C ATOM 198 O SER A 12 4.048 0.910 3.543 1.00 0.00 O ATOM 199 CB SER A 12 6.298 -1.491 3.057 1.00 0.00 C ATOM 200 OG SER A 12 7.090 -0.497 2.432 1.00 0.00 O ATOM 0 H SER A 12 5.318 -2.881 4.878 1.00 0.00 H new ATOM 0 HA SER A 12 6.064 -0.113 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.940 -2.286 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.631 -1.943 2.323 1.00 0.00 H new ATOM 0 HG SER A 12 7.606 -0.900 1.703 1.00 0.00 H new ATOM 206 N TYR A 13 3.223 -1.180 3.385 1.00 0.00 N ATOM 207 CA TYR A 13 1.925 -0.752 2.888 1.00 0.00 C ATOM 208 C TYR A 13 1.178 -0.001 3.978 1.00 0.00 C ATOM 209 O TYR A 13 0.508 0.999 3.718 1.00 0.00 O ATOM 210 CB TYR A 13 1.105 -1.961 2.436 1.00 0.00 C ATOM 211 CG TYR A 13 -0.224 -1.594 1.818 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.294 -1.079 0.529 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.409 -1.761 2.523 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.507 -0.741 -0.039 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.627 -1.426 1.961 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.671 -0.916 0.681 1.00 0.00 C ATOM 217 OH TYR A 13 -3.880 -0.580 0.118 1.00 0.00 O ATOM 0 H TYR A 13 3.323 -2.190 3.488 1.00 0.00 H new ATOM 0 HA TYR A 13 2.076 -0.091 2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.686 -2.534 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.930 -2.612 3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.615 -0.941 -0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.379 -2.159 3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.544 -0.342 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.540 -1.563 2.522 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.777 -0.497 -0.853 1.00 0.00 H new ATOM 227 N PHE A 14 1.307 -0.494 5.204 1.00 0.00 N ATOM 228 CA PHE A 14 0.653 0.121 6.350 1.00 0.00 C ATOM 229 C PHE A 14 1.342 1.432 6.722 1.00 0.00 C ATOM 230 O PHE A 14 0.684 2.423 7.041 1.00 0.00 O ATOM 231 CB PHE A 14 0.657 -0.853 7.535 1.00 0.00 C ATOM 232 CG PHE A 14 -0.272 -2.045 7.388 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.973 -2.286 6.207 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.435 -2.934 8.441 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.808 -3.381 6.087 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.273 -4.030 8.324 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.960 -4.254 7.145 1.00 0.00 C ATOM 0 H PHE A 14 1.861 -1.321 5.429 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.380 0.349 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.673 -1.219 7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.382 -0.306 8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.862 -1.607 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.099 -2.769 9.365 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.342 -3.554 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.390 -4.711 9.154 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.613 -5.109 7.052 1.00 0.00 H new ATOM 247 N LYS A 15 2.670 1.434 6.662 1.00 0.00 N ATOM 248 CA LYS A 15 3.446 2.627 6.977 1.00 0.00 C ATOM 249 C LYS A 15 3.188 3.715 5.946 1.00 0.00 C ATOM 250 O LYS A 15 2.926 4.865 6.293 1.00 0.00 O ATOM 251 CB LYS A 15 4.942 2.302 7.021 1.00 0.00 C ATOM 252 CG LYS A 15 5.390 1.674 8.331 1.00 0.00 C ATOM 253 CD LYS A 15 5.460 2.704 9.447 1.00 0.00 C ATOM 254 CE LYS A 15 4.216 2.665 10.320 1.00 0.00 C ATOM 255 NZ LYS A 15 4.507 3.078 11.722 1.00 0.00 N ATOM 0 H LYS A 15 3.230 0.623 6.398 1.00 0.00 H new ATOM 0 HA LYS A 15 3.134 2.985 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.182 1.624 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.509 3.218 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.698 0.880 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.368 1.212 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.342 2.518 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.574 3.700 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.456 3.323 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.802 1.657 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.633 3.038 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.213 2.435 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.878 4.050 11.728 1.00 0.00 H new ATOM 269 N ALA A 16 3.268 3.338 4.674 1.00 0.00 N ATOM 270 CA ALA A 16 3.052 4.277 3.582 1.00 0.00 C ATOM 271 C ALA A 16 1.667 4.904 3.647 1.00 0.00 C ATOM 272 O ALA A 16 1.496 6.077 3.321 1.00 0.00 O ATOM 273 CB ALA A 16 3.265 3.590 2.242 1.00 0.00 C ATOM 0 H ALA A 16 3.481 2.386 4.375 1.00 0.00 H new ATOM 0 HA ALA A 16 3.782 5.080 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.100 4.305 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.285 3.210 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.563 2.762 2.142 1.00 0.00 H new ATOM 279 N THR A 17 0.682 4.126 4.074 1.00 0.00 N ATOM 280 CA THR A 17 -0.679 4.632 4.180 1.00 0.00 C ATOM 281 C THR A 17 -0.783 5.639 5.320 1.00 0.00 C ATOM 282 O THR A 17 -1.567 6.586 5.257 1.00 0.00 O ATOM 283 CB THR A 17 -1.664 3.484 4.398 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.326 2.742 5.557 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.721 2.519 3.234 1.00 0.00 C ATOM 0 H THR A 17 0.798 3.151 4.350 1.00 0.00 H new ATOM 0 HA THR A 17 -0.933 5.133 3.246 1.00 0.00 H new ATOM 0 HB THR A 17 -2.640 3.958 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.443 3.021 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.438 1.728 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.030 3.052 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.735 2.081 3.076 1.00 0.00 H new ATOM 293 N GLU A 18 0.012 5.423 6.364 1.00 0.00 N ATOM 294 CA GLU A 18 0.010 6.308 7.525 1.00 0.00 C ATOM 295 C GLU A 18 0.778 7.598 7.244 1.00 0.00 C ATOM 296 O GLU A 18 0.324 8.689 7.589 1.00 0.00 O ATOM 297 CB GLU A 18 0.612 5.585 8.737 1.00 0.00 C ATOM 298 CG GLU A 18 -0.424 5.164 9.767 1.00 0.00 C ATOM 299 CD GLU A 18 0.196 4.808 11.104 1.00 0.00 C ATOM 300 OE1 GLU A 18 0.344 5.715 11.950 1.00 0.00 O ATOM 301 OE2 GLU A 18 0.535 3.623 11.305 1.00 0.00 O ATOM 0 H GLU A 18 0.666 4.643 6.430 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.024 6.576 7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.151 4.702 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.343 6.238 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.142 5.973 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.980 4.306 9.388 1.00 0.00 H new ATOM 308 N MET A 19 1.945 7.463 6.629 1.00 0.00 N ATOM 309 CA MET A 19 2.783 8.613 6.315 1.00 0.00 C ATOM 310 C MET A 19 2.371 9.289 5.004 1.00 0.00 C ATOM 311 O MET A 19 2.788 10.413 4.722 1.00 0.00 O ATOM 312 CB MET A 19 4.246 8.176 6.237 1.00 0.00 C ATOM 313 CG MET A 19 4.579 7.320 5.025 1.00 0.00 C ATOM 314 SD MET A 19 6.352 7.077 4.811 1.00 0.00 S ATOM 315 CE MET A 19 6.464 5.294 4.932 1.00 0.00 C ATOM 0 H MET A 19 2.334 6.566 6.337 1.00 0.00 H new ATOM 0 HA MET A 19 2.653 9.344 7.113 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.878 9.064 6.225 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.495 7.619 7.140 1.00 0.00 H new ATOM 0 HG2 MET A 19 4.093 6.350 5.126 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.170 7.790 4.130 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.488 4.979 4.731 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.178 4.979 5.935 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.794 4.837 4.203 1.00 0.00 H new ATOM 325 N ASN A 20 1.570 8.594 4.195 1.00 0.00 N ATOM 326 CA ASN A 20 1.123 9.119 2.905 1.00 0.00 C ATOM 327 C ASN A 20 2.261 9.060 1.893 1.00 0.00 C ATOM 328 O ASN A 20 2.426 9.958 1.068 1.00 0.00 O ATOM 329 CB ASN A 20 0.603 10.555 3.031 1.00 0.00 C ATOM 330 CG ASN A 20 -0.290 10.746 4.242 1.00 0.00 C ATOM 331 OD1 ASN A 20 -1.182 9.940 4.504 1.00 0.00 O ATOM 332 ND2 ASN A 20 -0.053 11.819 4.989 1.00 0.00 N ATOM 0 H ASN A 20 1.217 7.662 4.412 1.00 0.00 H new ATOM 0 HA ASN A 20 0.299 8.496 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.449 11.240 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.049 10.817 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.621 12.000 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.697 12.462 4.735 1.00 0.00 H new ATOM 339 N LEU A 21 3.046 7.987 1.973 1.00 0.00 N ATOM 340 CA LEU A 21 4.182 7.780 1.078 1.00 0.00 C ATOM 341 C LEU A 21 3.731 7.813 -0.382 1.00 0.00 C ATOM 342 O LEU A 21 2.554 7.610 -0.677 1.00 0.00 O ATOM 343 CB LEU A 21 4.845 6.435 1.398 1.00 0.00 C ATOM 344 CG LEU A 21 6.333 6.321 1.046 1.00 0.00 C ATOM 345 CD1 LEU A 21 7.006 5.255 1.909 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.518 6.014 -0.439 1.00 0.00 C ATOM 0 H LEU A 21 2.913 7.241 2.656 1.00 0.00 H new ATOM 0 HA LEU A 21 4.903 8.584 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.728 6.239 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.305 5.651 0.868 1.00 0.00 H new ATOM 0 HG LEU A 21 6.809 7.280 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.062 5.187 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.911 5.525 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.527 4.291 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.582 5.938 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.027 5.071 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.077 6.814 -1.034 1.00 0.00 H new ATOM 358 N ASN A 22 4.673 8.078 -1.291 1.00 0.00 N ATOM 359 CA ASN A 22 4.381 8.148 -2.729 1.00 0.00 C ATOM 360 C ASN A 22 3.458 7.013 -3.186 1.00 0.00 C ATOM 361 O ASN A 22 3.627 5.861 -2.788 1.00 0.00 O ATOM 362 CB ASN A 22 5.683 8.110 -3.530 1.00 0.00 C ATOM 363 CG ASN A 22 5.496 8.578 -4.960 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.424 9.053 -5.335 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.542 8.447 -5.767 1.00 0.00 N ATOM 0 H ASN A 22 5.651 8.249 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 22 3.862 9.089 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.427 8.738 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.076 7.093 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.476 8.746 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.412 8.048 -5.414 1.00 0.00 H new ATOM 372 N ARG A 23 2.479 7.358 -4.018 1.00 0.00 N ATOM 373 CA ARG A 23 1.516 6.384 -4.527 1.00 0.00 C ATOM 374 C ARG A 23 2.210 5.231 -5.242 1.00 0.00 C ATOM 375 O ARG A 23 1.714 4.104 -5.241 1.00 0.00 O ATOM 376 CB ARG A 23 0.530 7.064 -5.477 1.00 0.00 C ATOM 377 CG ARG A 23 -0.632 6.175 -5.889 1.00 0.00 C ATOM 378 CD ARG A 23 -1.857 6.426 -5.026 1.00 0.00 C ATOM 379 NE ARG A 23 -2.992 5.598 -5.430 1.00 0.00 N ATOM 380 CZ ARG A 23 -4.139 5.520 -4.756 1.00 0.00 C ATOM 381 NH1 ARG A 23 -4.316 6.220 -3.639 1.00 0.00 N ATOM 382 NH2 ARG A 23 -5.115 4.739 -5.199 1.00 0.00 N ATOM 0 H ARG A 23 2.331 8.309 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 23 0.976 5.976 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.138 7.961 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.064 7.387 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.879 6.358 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.337 5.129 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.613 6.223 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.135 7.478 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.900 5.045 -6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.570 6.823 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.197 6.154 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.987 4.199 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.993 4.678 -4.684 1.00 0.00 H new ATOM 396 N ASP A 24 3.349 5.515 -5.856 1.00 0.00 N ATOM 397 CA ASP A 24 4.089 4.489 -6.576 1.00 0.00 C ATOM 398 C ASP A 24 4.586 3.408 -5.626 1.00 0.00 C ATOM 399 O ASP A 24 4.623 2.228 -5.978 1.00 0.00 O ATOM 400 CB ASP A 24 5.266 5.108 -7.334 1.00 0.00 C ATOM 401 CG ASP A 24 4.857 5.666 -8.683 1.00 0.00 C ATOM 402 OD1 ASP A 24 3.787 5.270 -9.191 1.00 0.00 O ATOM 403 OD2 ASP A 24 5.607 6.501 -9.231 1.00 0.00 O ATOM 0 H ASP A 24 3.779 6.440 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 24 3.412 4.028 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.703 5.905 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.040 4.354 -7.476 1.00 0.00 H new ATOM 408 N PHE A 25 4.950 3.811 -4.414 1.00 0.00 N ATOM 409 CA PHE A 25 5.422 2.871 -3.411 1.00 0.00 C ATOM 410 C PHE A 25 4.242 2.085 -2.865 1.00 0.00 C ATOM 411 O PHE A 25 4.305 0.867 -2.714 1.00 0.00 O ATOM 412 CB PHE A 25 6.136 3.609 -2.278 1.00 0.00 C ATOM 413 CG PHE A 25 7.138 2.761 -1.549 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.211 2.199 -2.225 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.011 2.526 -0.190 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.136 1.419 -1.558 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.932 1.746 0.483 1.00 0.00 C ATOM 418 CZ PHE A 25 8.996 1.191 -0.203 1.00 0.00 C ATOM 0 H PHE A 25 4.926 4.783 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 25 6.133 2.185 -3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.641 4.484 -2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.394 3.972 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.325 2.373 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.182 2.958 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.968 0.988 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.821 1.570 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.717 0.580 0.320 1.00 0.00 H new ATOM 428 N ILE A 26 3.154 2.798 -2.595 1.00 0.00 N ATOM 429 CA ILE A 26 1.938 2.179 -2.089 1.00 0.00 C ATOM 430 C ILE A 26 1.415 1.153 -3.091 1.00 0.00 C ATOM 431 O ILE A 26 1.069 0.033 -2.720 1.00 0.00 O ATOM 432 CB ILE A 26 0.854 3.248 -1.800 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.333 4.188 -0.687 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.480 2.599 -1.421 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.316 5.239 -0.290 1.00 0.00 C ATOM 0 H ILE A 26 3.091 3.808 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 26 2.174 1.672 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 26 0.691 3.827 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.589 3.595 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.246 4.685 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.219 3.375 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.824 1.969 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.347 1.990 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.729 5.864 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.077 5.859 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.590 4.751 0.068 1.00 0.00 H new ATOM 447 N GLU A 27 1.372 1.538 -4.361 1.00 0.00 N ATOM 448 CA GLU A 27 0.904 0.638 -5.404 1.00 0.00 C ATOM 449 C GLU A 27 1.891 -0.505 -5.595 1.00 0.00 C ATOM 450 O GLU A 27 1.507 -1.632 -5.903 1.00 0.00 O ATOM 451 CB GLU A 27 0.715 1.397 -6.719 1.00 0.00 C ATOM 452 CG GLU A 27 -0.471 0.915 -7.538 1.00 0.00 C ATOM 453 CD GLU A 27 -1.172 2.044 -8.268 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.474 2.931 -8.800 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.421 2.040 -8.307 1.00 0.00 O ATOM 0 H GLU A 27 1.654 2.461 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.058 0.225 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.588 2.457 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.621 1.301 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.131 0.175 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.183 0.415 -6.881 1.00 0.00 H new ATOM 462 N LEU A 28 3.168 -0.201 -5.400 1.00 0.00 N ATOM 463 CA LEU A 28 4.227 -1.188 -5.537 1.00 0.00 C ATOM 464 C LEU A 28 4.131 -2.222 -4.418 1.00 0.00 C ATOM 465 O LEU A 28 4.207 -3.427 -4.664 1.00 0.00 O ATOM 466 CB LEU A 28 5.589 -0.469 -5.536 1.00 0.00 C ATOM 467 CG LEU A 28 6.815 -1.306 -5.152 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.067 -0.717 -5.777 1.00 0.00 C ATOM 469 CD2 LEU A 28 6.960 -1.370 -3.640 1.00 0.00 C ATOM 0 H LEU A 28 3.495 0.731 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 28 4.121 -1.722 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.757 -0.059 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.526 0.376 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 28 6.678 -2.319 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.931 -1.320 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.964 -0.712 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.206 0.304 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.835 -1.968 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.080 -0.362 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.069 -1.826 -3.208 1.00 0.00 H new ATOM 481 N ILE A 29 3.948 -1.747 -3.192 1.00 0.00 N ATOM 482 CA ILE A 29 3.824 -2.637 -2.049 1.00 0.00 C ATOM 483 C ILE A 29 2.505 -3.395 -2.121 1.00 0.00 C ATOM 484 O ILE A 29 2.414 -4.546 -1.700 1.00 0.00 O ATOM 485 CB ILE A 29 3.901 -1.864 -0.715 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.158 -0.994 -0.674 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.887 -2.830 0.459 1.00 0.00 C ATOM 488 CD1 ILE A 29 4.974 0.298 0.093 1.00 0.00 C ATOM 0 H ILE A 29 3.883 -0.754 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 29 4.657 -3.339 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 29 3.028 -1.215 -0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.970 -1.563 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.462 -0.761 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.942 -2.269 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.966 -3.413 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.743 -3.501 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.905 0.864 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.184 0.888 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.700 0.073 1.124 1.00 0.00 H new ATOM 500 N GLU A 30 1.487 -2.741 -2.672 1.00 0.00 N ATOM 501 CA GLU A 30 0.174 -3.353 -2.815 1.00 0.00 C ATOM 502 C GLU A 30 0.164 -4.331 -3.983 1.00 0.00 C ATOM 503 O GLU A 30 -0.543 -5.338 -3.956 1.00 0.00 O ATOM 504 CB GLU A 30 -0.894 -2.277 -3.023 1.00 0.00 C ATOM 505 CG GLU A 30 -2.285 -2.705 -2.588 1.00 0.00 C ATOM 506 CD GLU A 30 -3.371 -1.800 -3.136 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.387 -1.567 -4.364 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.205 -1.322 -2.338 1.00 0.00 O ATOM 0 H GLU A 30 1.548 -1.787 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.051 -3.901 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.609 -1.383 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.921 -2.003 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.467 -3.727 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.336 -2.710 -1.499 1.00 0.00 H new ATOM 515 N ASN A 31 0.954 -4.026 -5.008 1.00 0.00 N ATOM 516 CA ASN A 31 1.039 -4.874 -6.191 1.00 0.00 C ATOM 517 C ASN A 31 1.748 -6.186 -5.877 1.00 0.00 C ATOM 518 O ASN A 31 1.458 -7.217 -6.484 1.00 0.00 O ATOM 519 CB ASN A 31 1.766 -4.138 -7.318 1.00 0.00 C ATOM 520 CG ASN A 31 0.834 -3.264 -8.134 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.048 -2.598 -7.592 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.024 -3.264 -9.449 1.00 0.00 N ATOM 0 H ASN A 31 1.546 -3.196 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 31 0.024 -5.106 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.559 -3.522 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.244 -4.865 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.427 -2.697 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.767 -3.831 -9.857 1.00 0.00 H new ATOM 529 N GLU A 32 2.666 -6.148 -4.920 1.00 0.00 N ATOM 530 CA GLU A 32 3.396 -7.346 -4.525 1.00 0.00 C ATOM 531 C GLU A 32 2.539 -8.180 -3.587 1.00 0.00 C ATOM 532 O GLU A 32 2.423 -9.395 -3.742 1.00 0.00 O ATOM 533 CB GLU A 32 4.718 -6.975 -3.848 1.00 0.00 C ATOM 534 CG GLU A 32 5.754 -8.087 -3.890 1.00 0.00 C ATOM 535 CD GLU A 32 6.740 -7.924 -5.030 1.00 0.00 C ATOM 536 OE1 GLU A 32 6.971 -6.772 -5.454 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.280 -8.947 -5.499 1.00 0.00 O ATOM 0 H GLU A 32 2.922 -5.306 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 32 3.624 -7.929 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.128 -6.088 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.523 -6.710 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.297 -8.108 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.247 -9.047 -3.988 1.00 0.00 H new ATOM 544 N ILE A 33 1.920 -7.505 -2.628 1.00 0.00 N ATOM 545 CA ILE A 33 1.044 -8.159 -1.671 1.00 0.00 C ATOM 546 C ILE A 33 -0.154 -8.767 -2.399 1.00 0.00 C ATOM 547 O ILE A 33 -0.685 -9.798 -1.988 1.00 0.00 O ATOM 548 CB ILE A 33 0.566 -7.149 -0.596 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.765 -6.606 0.182 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.439 -7.771 0.371 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.472 -5.320 0.923 1.00 0.00 C ATOM 0 H ILE A 33 2.011 -6.498 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 33 1.597 -8.954 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 33 0.063 -6.334 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.096 -7.360 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.591 -6.437 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.745 -7.027 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.312 -8.115 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.023 -8.616 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.367 -4.993 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.170 -4.551 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.668 -5.488 1.639 1.00 0.00 H new ATOM 563 N LYS A 34 -0.569 -8.122 -3.487 1.00 0.00 N ATOM 564 CA LYS A 34 -1.696 -8.603 -4.272 1.00 0.00 C ATOM 565 C LYS A 34 -1.320 -9.869 -5.033 1.00 0.00 C ATOM 566 O LYS A 34 -2.039 -10.869 -4.985 1.00 0.00 O ATOM 567 CB LYS A 34 -2.162 -7.515 -5.245 1.00 0.00 C ATOM 568 CG LYS A 34 -3.355 -6.721 -4.738 1.00 0.00 C ATOM 569 CD LYS A 34 -3.737 -5.612 -5.703 1.00 0.00 C ATOM 570 CE LYS A 34 -4.486 -4.494 -4.996 1.00 0.00 C ATOM 571 NZ LYS A 34 -5.301 -3.685 -5.945 1.00 0.00 N ATOM 0 H LYS A 34 -0.141 -7.267 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.514 -8.843 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.335 -6.831 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.421 -7.977 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.204 -7.389 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.120 -6.292 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.839 -5.210 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.358 -6.020 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.135 -4.919 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.774 -3.846 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.796 -2.933 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.679 -3.258 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.998 -4.298 -6.414 1.00 0.00 H new ATOM 585 N ARG A 35 -0.185 -9.827 -5.723 1.00 0.00 N ATOM 586 CA ARG A 35 0.287 -10.981 -6.478 1.00 0.00 C ATOM 587 C ARG A 35 0.757 -12.091 -5.537 1.00 0.00 C ATOM 588 O ARG A 35 0.783 -13.264 -5.910 1.00 0.00 O ATOM 589 CB ARG A 35 1.427 -10.574 -7.415 1.00 0.00 C ATOM 590 CG ARG A 35 1.465 -11.372 -8.708 1.00 0.00 C ATOM 591 CD ARG A 35 0.260 -11.072 -9.586 1.00 0.00 C ATOM 592 NE ARG A 35 0.586 -10.137 -10.663 1.00 0.00 N ATOM 593 CZ ARG A 35 1.326 -10.451 -11.727 1.00 0.00 C ATOM 594 NH1 ARG A 35 1.822 -11.676 -11.870 1.00 0.00 N ATOM 595 NH2 ARG A 35 1.570 -9.535 -12.654 1.00 0.00 N ATOM 0 H ARG A 35 0.423 -9.009 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.544 -11.360 -7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.329 -9.515 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.376 -10.697 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.380 -11.140 -9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.493 -12.437 -8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.117 -12.001 -10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.540 -10.655 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 35 0.225 -9.186 -10.596 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.638 -12.387 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.387 -11.905 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.192 -8.593 -12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.136 -9.772 -13.469 1.00 0.00 H new ATOM 609 N ARG A 36 1.128 -11.710 -4.314 1.00 0.00 N ATOM 610 CA ARG A 36 1.597 -12.665 -3.319 1.00 0.00 C ATOM 611 C ARG A 36 0.439 -13.351 -2.585 1.00 0.00 C ATOM 612 O ARG A 36 0.667 -14.102 -1.637 1.00 0.00 O ATOM 613 CB ARG A 36 2.498 -11.953 -2.308 1.00 0.00 C ATOM 614 CG ARG A 36 3.950 -11.857 -2.748 1.00 0.00 C ATOM 615 CD ARG A 36 4.895 -11.879 -1.558 1.00 0.00 C ATOM 616 NE ARG A 36 6.226 -12.359 -1.923 1.00 0.00 N ATOM 617 CZ ARG A 36 7.273 -12.362 -1.096 1.00 0.00 C ATOM 618 NH1 ARG A 36 7.154 -11.909 0.147 1.00 0.00 N ATOM 619 NH2 ARG A 36 8.444 -12.821 -1.516 1.00 0.00 N ATOM 0 H ARG A 36 1.111 -10.742 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 36 2.158 -13.439 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.112 -10.948 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.450 -12.481 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.185 -12.686 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.099 -10.939 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.974 -10.876 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.481 -12.518 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 36 6.363 -12.714 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.256 -11.555 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.960 -11.916 0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.543 -13.171 -2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.246 -12.824 -0.886 1.00 0.00 H new ATOM 633 N SER A 37 -0.802 -13.091 -3.008 1.00 0.00 N ATOM 634 CA SER A 37 -1.963 -13.694 -2.358 1.00 0.00 C ATOM 635 C SER A 37 -2.033 -13.260 -0.898 1.00 0.00 C ATOM 636 O SER A 37 -2.452 -14.022 -0.027 1.00 0.00 O ATOM 637 CB SER A 37 -1.899 -15.220 -2.451 1.00 0.00 C ATOM 638 OG SER A 37 -3.179 -15.797 -2.270 1.00 0.00 O ATOM 0 H SER A 37 -1.024 -12.474 -3.789 1.00 0.00 H new ATOM 0 HA SER A 37 -2.862 -13.353 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.500 -15.512 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.213 -15.605 -1.696 1.00 0.00 H new ATOM 0 HG SER A 37 -3.569 -15.471 -1.432 1.00 0.00 H new ATOM 644 N LEU A 38 -1.605 -12.029 -0.648 1.00 0.00 N ATOM 645 CA LEU A 38 -1.597 -11.463 0.694 1.00 0.00 C ATOM 646 C LEU A 38 -2.512 -10.238 0.795 1.00 0.00 C ATOM 647 O LEU A 38 -2.574 -9.594 1.841 1.00 0.00 O ATOM 648 CB LEU A 38 -0.162 -11.084 1.064 1.00 0.00 C ATOM 649 CG LEU A 38 0.086 -10.813 2.547 1.00 0.00 C ATOM 650 CD1 LEU A 38 0.178 -12.118 3.321 1.00 0.00 C ATOM 651 CD2 LEU A 38 1.355 -9.991 2.727 1.00 0.00 C ATOM 0 H LEU A 38 -1.255 -11.397 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.978 -12.210 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.501 -11.887 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.118 -10.195 0.499 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.755 -10.243 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.355 -11.904 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.755 -12.671 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.001 -12.716 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.520 -9.805 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.204 -10.538 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.250 -9.041 2.204 1.00 0.00 H new ATOM 663 N GLY A 39 -3.229 -9.913 -0.290 1.00 0.00 N ATOM 664 CA GLY A 39 -4.121 -8.765 -0.268 1.00 0.00 C ATOM 665 C GLY A 39 -5.151 -8.854 0.846 1.00 0.00 C ATOM 666 O GLY A 39 -5.669 -7.840 1.308 1.00 0.00 O ATOM 0 H GLY A 39 -3.205 -10.423 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.534 -7.855 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.633 -8.687 -1.227 1.00 0.00 H new ATOM 670 N HIS A 40 -5.444 -10.073 1.287 1.00 0.00 N ATOM 671 CA HIS A 40 -6.406 -10.283 2.360 1.00 0.00 C ATOM 672 C HIS A 40 -5.934 -9.635 3.664 1.00 0.00 C ATOM 673 O HIS A 40 -6.726 -9.433 4.584 1.00 0.00 O ATOM 674 CB HIS A 40 -6.635 -11.776 2.577 1.00 0.00 C ATOM 675 CG HIS A 40 -7.956 -12.097 3.204 1.00 0.00 C ATOM 676 ND1 HIS A 40 -9.151 -12.036 2.518 1.00 0.00 N ATOM 677 CD2 HIS A 40 -8.268 -12.488 4.463 1.00 0.00 C ATOM 678 CE1 HIS A 40 -10.139 -12.374 3.327 1.00 0.00 C ATOM 679 NE2 HIS A 40 -9.630 -12.653 4.512 1.00 0.00 N ATOM 0 H HIS A 40 -5.029 -10.929 0.918 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.344 -9.812 2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -6.564 -12.289 1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.838 -12.169 3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.574 -12.641 5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.186 -12.415 3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.162 -12.944 5.332 1.00 0.00 H new ATOM 688 N ILE A 41 -4.639 -9.319 3.745 1.00 0.00 N ATOM 689 CA ILE A 41 -4.075 -8.709 4.942 1.00 0.00 C ATOM 690 C ILE A 41 -4.264 -7.188 4.916 1.00 0.00 C ATOM 691 O ILE A 41 -4.516 -6.558 5.944 1.00 0.00 O ATOM 692 CB ILE A 41 -2.568 -9.079 5.081 1.00 0.00 C ATOM 693 CG1 ILE A 41 -2.145 -9.059 6.549 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.666 -8.163 4.250 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.934 -10.025 7.404 1.00 0.00 C ATOM 0 H ILE A 41 -3.966 -9.477 2.995 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.605 -9.099 5.811 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.448 -10.089 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.085 -9.302 6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.267 -8.050 6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.626 -8.461 4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.937 -8.243 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.792 -7.132 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.587 -9.964 8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.992 -9.768 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.792 -11.040 7.032 1.00 0.00 H new ATOM 707 N ILE A 42 -4.131 -6.616 3.723 1.00 0.00 N ATOM 708 CA ILE A 42 -4.274 -5.175 3.527 1.00 0.00 C ATOM 709 C ILE A 42 -5.738 -4.772 3.408 1.00 0.00 C ATOM 710 O ILE A 42 -6.591 -5.587 3.060 1.00 0.00 O ATOM 711 CB ILE A 42 -3.537 -4.699 2.253 1.00 0.00 C ATOM 712 CG1 ILE A 42 -3.879 -5.593 1.072 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.040 -4.691 2.462 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.518 -4.993 -0.270 1.00 0.00 C ATOM 0 H ILE A 42 -3.922 -7.133 2.869 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.832 -4.702 4.404 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.867 -3.682 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.360 -6.545 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.947 -5.808 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.547 -4.352 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.791 -4.017 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.701 -5.698 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.791 -5.688 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.057 -4.056 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.445 -4.803 -0.307 1.00 0.00 H new ATOM 726 N SER A 43 -6.015 -3.502 3.678 1.00 0.00 N ATOM 727 CA SER A 43 -7.370 -2.978 3.579 1.00 0.00 C ATOM 728 C SER A 43 -7.599 -2.411 2.182 1.00 0.00 C ATOM 729 O SER A 43 -7.638 -1.196 1.988 1.00 0.00 O ATOM 730 CB SER A 43 -7.607 -1.898 4.637 1.00 0.00 C ATOM 731 OG SER A 43 -8.991 -1.702 4.866 1.00 0.00 O ATOM 0 H SER A 43 -5.318 -2.816 3.967 1.00 0.00 H new ATOM 0 HA SER A 43 -8.077 -3.789 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.118 -2.184 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.153 -0.962 4.313 1.00 0.00 H new ATOM 0 HG SER A 43 -9.115 -1.008 5.547 1.00 0.00 H new ATOM 737 N VAL A 44 -7.725 -3.306 1.209 1.00 0.00 N ATOM 738 CA VAL A 44 -7.922 -2.907 -0.185 1.00 0.00 C ATOM 739 C VAL A 44 -9.360 -2.465 -0.426 1.00 0.00 C ATOM 740 O VAL A 44 -10.300 -3.066 0.093 1.00 0.00 O ATOM 741 CB VAL A 44 -7.581 -4.050 -1.177 1.00 0.00 C ATOM 742 CG1 VAL A 44 -7.158 -3.479 -2.517 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.493 -4.960 -0.632 1.00 0.00 C ATOM 0 H VAL A 44 -7.695 -4.315 1.357 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.241 -2.075 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.482 -4.648 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.922 -4.294 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.970 -2.881 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.277 -2.851 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.282 -5.748 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.588 -4.379 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.828 -5.407 0.304 1.00 0.00 H new ATOM 753 N SER A 45 -9.525 -1.409 -1.216 1.00 0.00 N ATOM 754 CA SER A 45 -10.850 -0.890 -1.526 1.00 0.00 C ATOM 755 C SER A 45 -11.519 -1.723 -2.615 1.00 0.00 C ATOM 756 O SER A 45 -11.368 -1.443 -3.804 1.00 0.00 O ATOM 757 CB SER A 45 -10.758 0.571 -1.968 1.00 0.00 C ATOM 758 OG SER A 45 -9.764 1.265 -1.234 1.00 0.00 O ATOM 0 H SER A 45 -8.758 -0.897 -1.652 1.00 0.00 H new ATOM 0 HA SER A 45 -11.457 -0.951 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.528 0.618 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.723 1.058 -1.829 1.00 0.00 H new ATOM 0 HG SER A 45 -9.724 2.196 -1.537 1.00 0.00 H new ATOM 764 N SER A 46 -12.258 -2.746 -2.199 1.00 0.00 N ATOM 765 CA SER A 46 -12.951 -3.623 -3.138 1.00 0.00 C ATOM 766 C SER A 46 -14.450 -3.644 -2.855 1.00 0.00 C ATOM 767 O SER A 46 -15.196 -2.937 -3.564 1.00 0.00 O ATOM 768 CB SER A 46 -12.385 -5.042 -3.059 1.00 0.00 C ATOM 769 OG SER A 46 -13.201 -5.958 -3.769 1.00 0.00 O ATOM 770 OXT SER A 46 -14.866 -4.369 -1.926 1.00 0.00 O ATOM 0 H SER A 46 -12.393 -2.989 -1.218 1.00 0.00 H new ATOM 0 HA SER A 46 -12.794 -3.234 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.375 -5.057 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.311 -5.349 -2.016 1.00 0.00 H new ATOM 0 HG SER A 46 -12.816 -6.857 -3.704 1.00 0.00 H new TER 776 SER A 46