USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.103) USER MOD Set 1.2: A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Set 2.1: A 20 THR OG1 : rot -115:sc= 0.265 USER MOD Set 2.2: A 27 CYS SG : rot -30:sc= -2.79 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 65:sc= 0.673 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= 0.0432 (180deg=0) USER MOD Single : A 14 MET CE :methyl -150:sc= -0.536 (180deg=-2.07!) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= -0.26 (180deg=-0.324) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0077) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.17! C(o=-2.2!,f=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0179 (180deg=-0.195) USER MOD Single : A 33 THR OG1 : rot 79:sc= 0.0793 USER MOD Single : A 34 CYS SG : rot 90:sc= -3.02 USER MOD Single : A 46 HIS : no HE2:sc= -3.62! X(o=-3.6!,f=-4.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0346 (180deg=-0.336) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -0.935 (180deg=-3.15!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.974 11.374 -7.496 1.00 0.00 N ATOM 2 CA GLY A 1 17.704 10.849 -6.358 1.00 0.00 C ATOM 3 C GLY A 1 17.443 9.373 -6.133 1.00 0.00 C ATOM 4 O GLY A 1 16.296 8.927 -6.156 1.00 0.00 O ATOM 0 H1 GLY A 1 17.186 12.386 -7.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.258 10.864 -8.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.953 11.249 -7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.772 11.007 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.424 11.405 -5.463 1.00 0.00 H new ATOM 8 N SER A 2 18.511 8.611 -5.915 1.00 0.00 N ATOM 9 CA SER A 2 18.392 7.175 -5.690 1.00 0.00 C ATOM 10 C SER A 2 18.043 6.880 -4.235 1.00 0.00 C ATOM 11 O SER A 2 18.626 5.993 -3.613 1.00 0.00 O ATOM 12 CB SER A 2 19.697 6.469 -6.067 1.00 0.00 C ATOM 13 OG SER A 2 20.686 6.662 -5.071 1.00 0.00 O ATOM 0 H SER A 2 19.468 8.964 -5.890 1.00 0.00 H new ATOM 0 HA SER A 2 17.587 6.798 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.513 5.403 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.058 6.851 -7.022 1.00 0.00 H new ATOM 0 HG SER A 2 20.402 6.227 -4.240 1.00 0.00 H new ATOM 19 N SER A 3 17.086 7.631 -3.699 1.00 0.00 N ATOM 20 CA SER A 3 16.660 7.454 -2.315 1.00 0.00 C ATOM 21 C SER A 3 16.335 5.991 -2.030 1.00 0.00 C ATOM 22 O SER A 3 15.644 5.334 -2.808 1.00 0.00 O ATOM 23 CB SER A 3 15.439 8.326 -2.020 1.00 0.00 C ATOM 24 OG SER A 3 15.700 9.687 -2.319 1.00 0.00 O ATOM 0 H SER A 3 16.591 8.368 -4.202 1.00 0.00 H new ATOM 0 HA SER A 3 17.481 7.759 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.589 7.978 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.163 8.227 -0.970 1.00 0.00 H new ATOM 0 HG SER A 3 14.904 10.223 -2.123 1.00 0.00 H new ATOM 30 N GLY A 4 16.840 5.486 -0.909 1.00 0.00 N ATOM 31 CA GLY A 4 16.594 4.105 -0.540 1.00 0.00 C ATOM 32 C GLY A 4 17.166 3.757 0.820 1.00 0.00 C ATOM 33 O GLY A 4 16.423 3.480 1.762 1.00 0.00 O ATOM 0 H GLY A 4 17.416 6.009 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.520 3.919 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.030 3.448 -1.293 1.00 0.00 H new ATOM 37 N SER A 5 18.491 3.769 0.923 1.00 0.00 N ATOM 38 CA SER A 5 19.163 3.447 2.177 1.00 0.00 C ATOM 39 C SER A 5 18.783 4.442 3.269 1.00 0.00 C ATOM 40 O SER A 5 18.457 4.055 4.390 1.00 0.00 O ATOM 41 CB SER A 5 20.681 3.443 1.980 1.00 0.00 C ATOM 42 OG SER A 5 21.104 2.272 1.304 1.00 0.00 O ATOM 0 H SER A 5 19.120 3.998 0.154 1.00 0.00 H new ATOM 0 HA SER A 5 18.841 2.453 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.979 4.323 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.177 3.507 2.949 1.00 0.00 H new ATOM 0 HG SER A 5 22.077 2.294 1.189 1.00 0.00 H new ATOM 48 N SER A 6 18.828 5.727 2.931 1.00 0.00 N ATOM 49 CA SER A 6 18.493 6.780 3.883 1.00 0.00 C ATOM 50 C SER A 6 17.697 7.891 3.205 1.00 0.00 C ATOM 51 O SER A 6 18.235 8.656 2.406 1.00 0.00 O ATOM 52 CB SER A 6 19.765 7.356 4.508 1.00 0.00 C ATOM 53 OG SER A 6 19.485 7.984 5.746 1.00 0.00 O ATOM 0 H SER A 6 19.093 6.064 2.005 1.00 0.00 H new ATOM 0 HA SER A 6 17.877 6.343 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.494 6.559 4.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.216 8.076 3.825 1.00 0.00 H new ATOM 0 HG SER A 6 20.314 8.342 6.126 1.00 0.00 H new ATOM 59 N GLY A 7 16.411 7.973 3.531 1.00 0.00 N ATOM 60 CA GLY A 7 15.560 8.993 2.946 1.00 0.00 C ATOM 61 C GLY A 7 14.108 8.839 3.350 1.00 0.00 C ATOM 62 O GLY A 7 13.601 7.722 3.455 1.00 0.00 O ATOM 0 H GLY A 7 15.943 7.351 4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.916 9.977 3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.638 8.948 1.860 1.00 0.00 H new ATOM 66 N SER A 8 13.436 9.963 3.580 1.00 0.00 N ATOM 67 CA SER A 8 12.034 9.948 3.980 1.00 0.00 C ATOM 68 C SER A 8 11.121 9.902 2.759 1.00 0.00 C ATOM 69 O SER A 8 10.910 10.912 2.089 1.00 0.00 O ATOM 70 CB SER A 8 11.711 11.180 4.827 1.00 0.00 C ATOM 71 OG SER A 8 12.197 11.032 6.150 1.00 0.00 O ATOM 0 H SER A 8 13.840 10.896 3.496 1.00 0.00 H new ATOM 0 HA SER A 8 11.861 9.051 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.154 12.065 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.633 11.338 4.848 1.00 0.00 H new ATOM 0 HG SER A 8 11.979 11.834 6.670 1.00 0.00 H new ATOM 77 N SER A 9 10.581 8.720 2.476 1.00 0.00 N ATOM 78 CA SER A 9 9.693 8.540 1.334 1.00 0.00 C ATOM 79 C SER A 9 8.248 8.844 1.716 1.00 0.00 C ATOM 80 O SER A 9 7.323 8.142 1.306 1.00 0.00 O ATOM 81 CB SER A 9 9.800 7.110 0.799 1.00 0.00 C ATOM 82 OG SER A 9 11.152 6.749 0.576 1.00 0.00 O ATOM 0 H SER A 9 10.743 7.874 3.022 1.00 0.00 H new ATOM 0 HA SER A 9 9.999 9.237 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.348 6.418 1.509 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.239 7.024 -0.132 1.00 0.00 H new ATOM 0 HG SER A 9 11.194 5.831 0.236 1.00 0.00 H new ATOM 88 N LYS A 10 8.060 9.897 2.504 1.00 0.00 N ATOM 89 CA LYS A 10 6.729 10.299 2.942 1.00 0.00 C ATOM 90 C LYS A 10 5.903 10.816 1.769 1.00 0.00 C ATOM 91 O LYS A 10 4.795 10.341 1.522 1.00 0.00 O ATOM 92 CB LYS A 10 6.829 11.377 4.024 1.00 0.00 C ATOM 93 CG LYS A 10 5.480 11.856 4.531 1.00 0.00 C ATOM 94 CD LYS A 10 5.537 13.306 4.983 1.00 0.00 C ATOM 95 CE LYS A 10 4.196 14.000 4.800 1.00 0.00 C ATOM 96 NZ LYS A 10 3.335 13.870 6.009 1.00 0.00 N ATOM 0 H LYS A 10 8.814 10.488 2.853 1.00 0.00 H new ATOM 0 HA LYS A 10 6.230 9.423 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.405 10.986 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.382 12.228 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.735 11.749 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.158 11.227 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.830 13.350 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.302 13.835 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.360 15.055 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.681 13.573 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.351 13.702 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.666 13.071 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.386 14.746 6.567 1.00 0.00 H new ATOM 110 N GLU A 11 6.451 11.790 1.049 1.00 0.00 N ATOM 111 CA GLU A 11 5.763 12.369 -0.099 1.00 0.00 C ATOM 112 C GLU A 11 5.009 11.297 -0.880 1.00 0.00 C ATOM 113 O GLU A 11 3.817 11.438 -1.157 1.00 0.00 O ATOM 114 CB GLU A 11 6.763 13.076 -1.017 1.00 0.00 C ATOM 115 CG GLU A 11 6.120 13.732 -2.227 1.00 0.00 C ATOM 116 CD GLU A 11 7.121 14.047 -3.321 1.00 0.00 C ATOM 117 OE1 GLU A 11 8.203 14.583 -3.000 1.00 0.00 O ATOM 118 OE2 GLU A 11 6.823 13.757 -4.499 1.00 0.00 O ATOM 0 H GLU A 11 7.368 12.194 1.240 1.00 0.00 H new ATOM 0 HA GLU A 11 5.042 13.098 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.296 13.834 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.505 12.353 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.348 13.074 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.625 14.652 -1.917 1.00 0.00 H new ATOM 125 N LEU A 12 5.711 10.226 -1.233 1.00 0.00 N ATOM 126 CA LEU A 12 5.109 9.129 -1.982 1.00 0.00 C ATOM 127 C LEU A 12 3.965 8.496 -1.196 1.00 0.00 C ATOM 128 O LEU A 12 2.968 8.060 -1.774 1.00 0.00 O ATOM 129 CB LEU A 12 6.163 8.071 -2.311 1.00 0.00 C ATOM 130 CG LEU A 12 6.999 8.324 -3.566 1.00 0.00 C ATOM 131 CD1 LEU A 12 6.180 8.047 -4.818 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.527 9.751 -3.577 1.00 0.00 C ATOM 0 H LEU A 12 6.698 10.094 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 12 4.707 9.534 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.839 7.983 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.662 7.109 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 12 7.850 7.643 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.791 8.232 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.852 7.008 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.309 8.702 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.120 9.913 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.690 10.449 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.150 9.915 -2.698 1.00 0.00 H new ATOM 144 N LEU A 13 4.114 8.451 0.123 1.00 0.00 N ATOM 145 CA LEU A 13 3.092 7.873 0.989 1.00 0.00 C ATOM 146 C LEU A 13 1.846 8.753 1.022 1.00 0.00 C ATOM 147 O LEU A 13 0.725 8.254 1.118 1.00 0.00 O ATOM 148 CB LEU A 13 3.640 7.691 2.405 1.00 0.00 C ATOM 149 CG LEU A 13 2.621 7.287 3.472 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.265 5.814 3.338 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.161 7.582 4.864 1.00 0.00 C ATOM 0 H LEU A 13 4.932 8.808 0.616 1.00 0.00 H new ATOM 0 HA LEU A 13 2.816 6.899 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.424 6.935 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.109 8.625 2.714 1.00 0.00 H new ATOM 0 HG LEU A 13 1.715 7.875 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.539 5.544 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.837 5.631 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.164 5.210 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.423 7.288 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.082 7.021 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.366 8.649 4.956 1.00 0.00 H new ATOM 163 N MET A 14 2.051 10.063 0.941 1.00 0.00 N ATOM 164 CA MET A 14 0.943 11.012 0.958 1.00 0.00 C ATOM 165 C MET A 14 0.041 10.817 -0.257 1.00 0.00 C ATOM 166 O MET A 14 -1.180 10.938 -0.161 1.00 0.00 O ATOM 167 CB MET A 14 1.473 12.447 0.989 1.00 0.00 C ATOM 168 CG MET A 14 2.081 12.841 2.325 1.00 0.00 C ATOM 169 SD MET A 14 0.851 13.446 3.497 1.00 0.00 S ATOM 170 CE MET A 14 0.079 14.746 2.536 1.00 0.00 C ATOM 0 H MET A 14 2.973 10.492 0.863 1.00 0.00 H new ATOM 0 HA MET A 14 0.355 10.830 1.858 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.224 12.565 0.208 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.658 13.132 0.754 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.594 11.980 2.754 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.834 13.613 2.164 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.281 15.528 3.205 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.807 15.168 1.843 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.760 14.334 1.974 1.00 0.00 H new ATOM 180 N LYS A 15 0.651 10.515 -1.398 1.00 0.00 N ATOM 181 CA LYS A 15 -0.097 10.302 -2.632 1.00 0.00 C ATOM 182 C LYS A 15 -0.844 8.973 -2.593 1.00 0.00 C ATOM 183 O LYS A 15 -2.068 8.933 -2.732 1.00 0.00 O ATOM 184 CB LYS A 15 0.847 10.333 -3.836 1.00 0.00 C ATOM 185 CG LYS A 15 1.094 11.730 -4.380 1.00 0.00 C ATOM 186 CD LYS A 15 2.112 11.717 -5.507 1.00 0.00 C ATOM 187 CE LYS A 15 3.524 11.505 -4.982 1.00 0.00 C ATOM 188 NZ LYS A 15 4.423 10.934 -6.022 1.00 0.00 N ATOM 0 H LYS A 15 1.661 10.412 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.827 11.106 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.801 9.889 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.431 9.712 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.156 12.152 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.447 12.377 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.863 10.926 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.064 12.659 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.929 12.456 -4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.495 10.837 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.340 10.694 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.992 10.076 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.566 11.633 -6.779 1.00 0.00 H new ATOM 202 N LEU A 16 -0.103 7.888 -2.401 1.00 0.00 N ATOM 203 CA LEU A 16 -0.696 6.557 -2.342 1.00 0.00 C ATOM 204 C LEU A 16 -1.674 6.448 -1.177 1.00 0.00 C ATOM 205 O LEU A 16 -2.464 5.506 -1.102 1.00 0.00 O ATOM 206 CB LEU A 16 0.397 5.495 -2.205 1.00 0.00 C ATOM 207 CG LEU A 16 -0.070 4.040 -2.253 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.064 3.524 -3.683 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.807 3.169 -1.365 1.00 0.00 C ATOM 0 H LEU A 16 0.910 7.904 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.243 6.389 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.126 5.648 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.917 5.658 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.092 3.994 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.399 2.487 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.735 4.131 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.946 3.584 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.460 2.137 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.840 3.221 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.750 3.525 -0.336 1.00 0.00 H new ATOM 221 N ARG A 17 -1.618 7.419 -0.271 1.00 0.00 N ATOM 222 CA ARG A 17 -2.500 7.433 0.889 1.00 0.00 C ATOM 223 C ARG A 17 -3.963 7.503 0.460 1.00 0.00 C ATOM 224 O ARG A 17 -4.771 6.653 0.834 1.00 0.00 O ATOM 225 CB ARG A 17 -2.167 8.619 1.796 1.00 0.00 C ATOM 226 CG ARG A 17 -3.138 8.794 2.952 1.00 0.00 C ATOM 227 CD ARG A 17 -2.684 8.026 4.183 1.00 0.00 C ATOM 228 NE ARG A 17 -2.491 6.606 3.901 1.00 0.00 N ATOM 229 CZ ARG A 17 -3.487 5.766 3.641 1.00 0.00 C ATOM 230 NH1 ARG A 17 -4.739 6.202 3.626 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.231 4.488 3.394 1.00 0.00 N ATOM 0 H ARG A 17 -0.971 8.206 -0.318 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.345 6.506 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.161 8.489 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.158 9.531 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.228 9.853 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.128 8.450 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.751 8.452 4.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.424 8.141 4.975 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.539 6.239 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.939 7.184 3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.502 5.555 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.269 4.149 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.996 3.844 3.195 1.00 0.00 H new ATOM 245 N ARG A 18 -4.295 8.521 -0.327 1.00 0.00 N ATOM 246 CA ARG A 18 -5.660 8.703 -0.805 1.00 0.00 C ATOM 247 C ARG A 18 -5.926 7.836 -2.032 1.00 0.00 C ATOM 248 O ARG A 18 -6.984 7.930 -2.655 1.00 0.00 O ATOM 249 CB ARG A 18 -5.913 10.174 -1.143 1.00 0.00 C ATOM 250 CG ARG A 18 -4.887 10.765 -2.095 1.00 0.00 C ATOM 251 CD ARG A 18 -5.210 12.212 -2.433 1.00 0.00 C ATOM 252 NE ARG A 18 -6.473 12.337 -3.155 1.00 0.00 N ATOM 253 CZ ARG A 18 -7.657 12.409 -2.558 1.00 0.00 C ATOM 254 NH1 ARG A 18 -7.740 12.370 -1.235 1.00 0.00 N ATOM 255 NH2 ARG A 18 -8.762 12.522 -3.284 1.00 0.00 N ATOM 0 H ARG A 18 -3.638 9.232 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.340 8.397 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.905 10.271 -1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.917 10.755 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.896 10.708 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.856 10.174 -3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.258 12.797 -1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.405 12.632 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.444 12.371 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.893 12.285 -0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.651 12.426 -0.779 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.703 12.554 -4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.671 12.577 -2.824 1.00 0.00 H new ATOM 269 N LYS A 19 -4.960 6.991 -2.374 1.00 0.00 N ATOM 270 CA LYS A 19 -5.088 6.105 -3.525 1.00 0.00 C ATOM 271 C LYS A 19 -5.744 4.787 -3.127 1.00 0.00 C ATOM 272 O LYS A 19 -6.650 4.302 -3.805 1.00 0.00 O ATOM 273 CB LYS A 19 -3.714 5.838 -4.144 1.00 0.00 C ATOM 274 CG LYS A 19 -3.762 5.576 -5.640 1.00 0.00 C ATOM 275 CD LYS A 19 -3.870 6.870 -6.429 1.00 0.00 C ATOM 276 CE LYS A 19 -3.963 6.605 -7.924 1.00 0.00 C ATOM 277 NZ LYS A 19 -5.300 6.076 -8.311 1.00 0.00 N ATOM 0 H LYS A 19 -4.078 6.901 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.722 6.597 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.067 6.694 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.262 4.980 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.865 5.037 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.613 4.936 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.749 7.425 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.002 7.497 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.766 7.528 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.192 5.892 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.335 5.940 -9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.464 5.165 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.037 6.752 -8.026 1.00 0.00 H new ATOM 291 N THR A 20 -5.281 4.211 -2.022 1.00 0.00 N ATOM 292 CA THR A 20 -5.823 2.949 -1.533 1.00 0.00 C ATOM 293 C THR A 20 -6.937 3.185 -0.519 1.00 0.00 C ATOM 294 O THR A 20 -8.063 2.726 -0.703 1.00 0.00 O ATOM 295 CB THR A 20 -4.728 2.082 -0.884 1.00 0.00 C ATOM 296 OG1 THR A 20 -4.322 2.658 0.363 1.00 0.00 O ATOM 297 CG2 THR A 20 -3.524 1.951 -1.805 1.00 0.00 C ATOM 0 H THR A 20 -4.532 4.598 -1.449 1.00 0.00 H new ATOM 0 HA THR A 20 -6.228 2.423 -2.397 1.00 0.00 H new ATOM 0 HB THR A 20 -5.139 1.088 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.386 2.943 0.302 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.764 1.334 -1.325 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.831 1.485 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.113 2.940 -2.009 1.00 0.00 H new ATOM 305 N GLY A 21 -6.614 3.904 0.551 1.00 0.00 N ATOM 306 CA GLY A 21 -7.599 4.188 1.579 1.00 0.00 C ATOM 307 C GLY A 21 -7.375 3.375 2.838 1.00 0.00 C ATOM 308 O GLY A 21 -8.306 3.140 3.607 1.00 0.00 O ATOM 0 H GLY A 21 -5.688 4.295 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.567 5.249 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.596 3.981 1.189 1.00 0.00 H new ATOM 312 N TYR A 22 -6.136 2.943 3.048 1.00 0.00 N ATOM 313 CA TYR A 22 -5.793 2.148 4.221 1.00 0.00 C ATOM 314 C TYR A 22 -5.122 3.009 5.286 1.00 0.00 C ATOM 315 O TYR A 22 -5.007 4.225 5.136 1.00 0.00 O ATOM 316 CB TYR A 22 -4.871 0.992 3.828 1.00 0.00 C ATOM 317 CG TYR A 22 -5.555 -0.075 3.004 1.00 0.00 C ATOM 318 CD1 TYR A 22 -6.659 -0.760 3.496 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.098 -0.398 1.732 1.00 0.00 C ATOM 320 CE1 TYR A 22 -7.287 -1.736 2.747 1.00 0.00 C ATOM 321 CE2 TYR A 22 -5.720 -1.372 0.975 1.00 0.00 C ATOM 322 CZ TYR A 22 -6.814 -2.038 1.487 1.00 0.00 C ATOM 323 OH TYR A 22 -7.437 -3.009 0.737 1.00 0.00 O ATOM 0 H TYR A 22 -5.353 3.130 2.421 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.716 1.743 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.026 1.388 3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.467 0.537 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.033 -0.525 4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.242 0.121 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.143 -2.260 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.352 -1.611 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.981 -3.099 -0.126 1.00 0.00 H new ATOM 333 N SER A 23 -4.679 2.368 6.363 1.00 0.00 N ATOM 334 CA SER A 23 -4.021 3.075 7.457 1.00 0.00 C ATOM 335 C SER A 23 -2.718 3.712 6.985 1.00 0.00 C ATOM 336 O SER A 23 -1.976 3.125 6.197 1.00 0.00 O ATOM 337 CB SER A 23 -3.743 2.117 8.617 1.00 0.00 C ATOM 338 OG SER A 23 -3.689 2.812 9.850 1.00 0.00 O ATOM 0 H SER A 23 -4.763 1.361 6.502 1.00 0.00 H new ATOM 0 HA SER A 23 -4.688 3.865 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.522 1.356 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.799 1.599 8.447 1.00 0.00 H new ATOM 0 HG SER A 23 -3.512 2.178 10.576 1.00 0.00 H new ATOM 344 N PHE A 24 -2.445 4.918 7.473 1.00 0.00 N ATOM 345 CA PHE A 24 -1.232 5.637 7.102 1.00 0.00 C ATOM 346 C PHE A 24 -0.034 4.693 7.053 1.00 0.00 C ATOM 347 O PHE A 24 0.912 4.911 6.296 1.00 0.00 O ATOM 348 CB PHE A 24 -0.963 6.771 8.093 1.00 0.00 C ATOM 349 CG PHE A 24 -0.112 7.872 7.527 1.00 0.00 C ATOM 350 CD1 PHE A 24 -0.668 8.848 6.717 1.00 0.00 C ATOM 351 CD2 PHE A 24 1.244 7.930 7.807 1.00 0.00 C ATOM 352 CE1 PHE A 24 0.113 9.862 6.194 1.00 0.00 C ATOM 353 CE2 PHE A 24 2.030 8.942 7.287 1.00 0.00 C ATOM 354 CZ PHE A 24 1.463 9.909 6.481 1.00 0.00 C ATOM 0 H PHE A 24 -3.048 5.418 8.127 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.379 6.060 6.108 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.914 7.190 8.421 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.474 6.362 8.977 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.724 8.817 6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.692 7.177 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.332 10.616 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.086 8.976 7.511 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.075 10.701 6.075 1.00 0.00 H new ATOM 364 N VAL A 25 -0.082 3.643 7.867 1.00 0.00 N ATOM 365 CA VAL A 25 0.999 2.665 7.917 1.00 0.00 C ATOM 366 C VAL A 25 0.864 1.640 6.797 1.00 0.00 C ATOM 367 O VAL A 25 1.859 1.185 6.236 1.00 0.00 O ATOM 368 CB VAL A 25 1.028 1.931 9.271 1.00 0.00 C ATOM 369 CG1 VAL A 25 2.073 0.826 9.256 1.00 0.00 C ATOM 370 CG2 VAL A 25 1.293 2.911 10.403 1.00 0.00 C ATOM 0 H VAL A 25 -0.857 3.448 8.500 1.00 0.00 H new ATOM 0 HA VAL A 25 1.931 3.215 7.791 1.00 0.00 H new ATOM 0 HB VAL A 25 0.053 1.474 9.438 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.080 0.318 10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.834 0.109 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.056 1.257 9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.310 2.375 11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.255 3.399 10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.504 3.663 10.425 1.00 0.00 H new ATOM 380 N ASN A 26 -0.375 1.280 6.477 1.00 0.00 N ATOM 381 CA ASN A 26 -0.641 0.308 5.424 1.00 0.00 C ATOM 382 C ASN A 26 0.099 0.679 4.142 1.00 0.00 C ATOM 383 O ASN A 26 0.824 -0.138 3.573 1.00 0.00 O ATOM 384 CB ASN A 26 -2.143 0.218 5.151 1.00 0.00 C ATOM 385 CG ASN A 26 -2.872 -0.610 6.192 1.00 0.00 C ATOM 386 OD1 ASN A 26 -2.607 -0.495 7.389 1.00 0.00 O ATOM 387 ND2 ASN A 26 -3.794 -1.451 5.740 1.00 0.00 N ATOM 0 H ASN A 26 -1.210 1.647 6.932 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.282 -0.664 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.566 1.222 5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.305 -0.218 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.316 -2.035 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.981 -1.513 4.739 1.00 0.00 H new ATOM 394 N CYS A 27 -0.089 1.915 3.694 1.00 0.00 N ATOM 395 CA CYS A 27 0.560 2.395 2.479 1.00 0.00 C ATOM 396 C CYS A 27 2.078 2.362 2.624 1.00 0.00 C ATOM 397 O CYS A 27 2.777 1.756 1.811 1.00 0.00 O ATOM 398 CB CYS A 27 0.097 3.816 2.155 1.00 0.00 C ATOM 399 SG CYS A 27 -1.366 3.893 1.096 1.00 0.00 S ATOM 0 H CYS A 27 -0.685 2.603 4.154 1.00 0.00 H new ATOM 0 HA CYS A 27 0.277 1.734 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.115 4.339 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.913 4.350 1.668 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.389 2.856 0.312 1.00 0.00 H new ATOM 405 N LYS A 28 2.582 3.019 3.663 1.00 0.00 N ATOM 406 CA LYS A 28 4.017 3.066 3.916 1.00 0.00 C ATOM 407 C LYS A 28 4.647 1.689 3.735 1.00 0.00 C ATOM 408 O LYS A 28 5.722 1.558 3.150 1.00 0.00 O ATOM 409 CB LYS A 28 4.290 3.582 5.331 1.00 0.00 C ATOM 410 CG LYS A 28 5.612 4.317 5.466 1.00 0.00 C ATOM 411 CD LYS A 28 5.670 5.128 6.749 1.00 0.00 C ATOM 412 CE LYS A 28 6.573 6.343 6.601 1.00 0.00 C ATOM 413 NZ LYS A 28 7.996 6.015 6.891 1.00 0.00 N ATOM 0 H LYS A 28 2.017 3.527 4.344 1.00 0.00 H new ATOM 0 HA LYS A 28 4.465 3.749 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.481 4.249 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.279 2.741 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.432 3.599 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.751 4.978 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.665 5.451 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.034 4.500 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.490 6.736 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.237 7.130 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.579 6.869 6.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.080 5.664 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.325 5.282 6.230 1.00 0.00 H new ATOM 427 N LYS A 29 3.970 0.663 4.240 1.00 0.00 N ATOM 428 CA LYS A 29 4.462 -0.706 4.133 1.00 0.00 C ATOM 429 C LYS A 29 4.459 -1.172 2.680 1.00 0.00 C ATOM 430 O LYS A 29 5.467 -1.665 2.175 1.00 0.00 O ATOM 431 CB LYS A 29 3.604 -1.646 4.983 1.00 0.00 C ATOM 432 CG LYS A 29 4.367 -2.843 5.523 1.00 0.00 C ATOM 433 CD LYS A 29 3.449 -3.802 6.262 1.00 0.00 C ATOM 434 CE LYS A 29 4.232 -4.927 6.922 1.00 0.00 C ATOM 435 NZ LYS A 29 5.097 -4.426 8.026 1.00 0.00 N ATOM 0 H LYS A 29 3.079 0.754 4.728 1.00 0.00 H new ATOM 0 HA LYS A 29 5.488 -0.728 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.185 -1.086 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.765 -2.000 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.855 -3.366 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.154 -2.501 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.885 -3.257 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.724 -4.222 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.539 -5.672 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.849 -5.427 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.414 -5.227 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.925 -3.941 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.557 -3.760 8.615 1.00 0.00 H new ATOM 449 N ALA A 30 3.320 -1.012 2.015 1.00 0.00 N ATOM 450 CA ALA A 30 3.188 -1.414 0.620 1.00 0.00 C ATOM 451 C ALA A 30 4.273 -0.776 -0.240 1.00 0.00 C ATOM 452 O ALA A 30 4.852 -1.427 -1.112 1.00 0.00 O ATOM 453 CB ALA A 30 1.809 -1.044 0.092 1.00 0.00 C ATOM 0 H ALA A 30 2.476 -0.607 2.419 1.00 0.00 H new ATOM 0 HA ALA A 30 3.308 -2.496 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.724 -1.350 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.045 -1.551 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.668 0.034 0.166 1.00 0.00 H new ATOM 459 N LEU A 31 4.545 0.500 0.008 1.00 0.00 N ATOM 460 CA LEU A 31 5.562 1.226 -0.744 1.00 0.00 C ATOM 461 C LEU A 31 6.934 0.582 -0.569 1.00 0.00 C ATOM 462 O LEU A 31 7.676 0.409 -1.534 1.00 0.00 O ATOM 463 CB LEU A 31 5.611 2.688 -0.294 1.00 0.00 C ATOM 464 CG LEU A 31 4.556 3.613 -0.902 1.00 0.00 C ATOM 465 CD1 LEU A 31 4.446 4.898 -0.097 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.888 3.918 -2.356 1.00 0.00 C ATOM 0 H LEU A 31 4.075 1.054 0.724 1.00 0.00 H new ATOM 0 HA LEU A 31 5.295 1.186 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.509 2.717 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.597 3.088 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 31 3.592 3.105 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.691 5.544 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.161 4.662 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.408 5.411 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.127 4.577 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.861 4.406 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.914 2.989 -2.926 1.00 0.00 H new ATOM 478 N GLU A 32 7.261 0.228 0.670 1.00 0.00 N ATOM 479 CA GLU A 32 8.543 -0.398 0.971 1.00 0.00 C ATOM 480 C GLU A 32 8.637 -1.780 0.331 1.00 0.00 C ATOM 481 O GLU A 32 9.538 -2.050 -0.463 1.00 0.00 O ATOM 482 CB GLU A 32 8.738 -0.511 2.485 1.00 0.00 C ATOM 483 CG GLU A 32 9.002 0.822 3.165 1.00 0.00 C ATOM 484 CD GLU A 32 10.472 1.195 3.168 1.00 0.00 C ATOM 485 OE1 GLU A 32 11.153 0.934 2.154 1.00 0.00 O ATOM 486 OE2 GLU A 32 10.941 1.747 4.185 1.00 0.00 O ATOM 0 H GLU A 32 6.657 0.364 1.480 1.00 0.00 H new ATOM 0 HA GLU A 32 9.331 0.230 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.849 -0.964 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.572 -1.184 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.434 1.603 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.640 0.780 4.192 1.00 0.00 H new ATOM 493 N THR A 33 7.699 -2.654 0.684 1.00 0.00 N ATOM 494 CA THR A 33 7.675 -4.009 0.147 1.00 0.00 C ATOM 495 C THR A 33 7.803 -4.000 -1.373 1.00 0.00 C ATOM 496 O THR A 33 8.495 -4.839 -1.951 1.00 0.00 O ATOM 497 CB THR A 33 6.380 -4.745 0.537 1.00 0.00 C ATOM 498 OG1 THR A 33 6.226 -4.744 1.961 1.00 0.00 O ATOM 499 CG2 THR A 33 6.397 -6.178 0.024 1.00 0.00 C ATOM 0 H THR A 33 6.946 -2.447 1.340 1.00 0.00 H new ATOM 0 HA THR A 33 8.527 -4.535 0.578 1.00 0.00 H new ATOM 0 HB THR A 33 5.539 -4.222 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.888 -3.872 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.472 -6.678 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.485 -6.175 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.246 -6.709 0.455 1.00 0.00 H new ATOM 507 N CYS A 34 7.134 -3.048 -2.012 1.00 0.00 N ATOM 508 CA CYS A 34 7.174 -2.930 -3.466 1.00 0.00 C ATOM 509 C CYS A 34 8.396 -2.135 -3.914 1.00 0.00 C ATOM 510 O CYS A 34 8.910 -2.335 -5.014 1.00 0.00 O ATOM 511 CB CYS A 34 5.898 -2.260 -3.979 1.00 0.00 C ATOM 512 SG CYS A 34 4.396 -3.229 -3.709 1.00 0.00 S ATOM 0 H CYS A 34 6.557 -2.347 -1.547 1.00 0.00 H new ATOM 0 HA CYS A 34 7.243 -3.934 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.786 -1.293 -3.489 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.006 -2.067 -5.046 1.00 0.00 H new ATOM 0 HG CYS A 34 3.889 -2.929 -2.550 1.00 0.00 H new ATOM 518 N GLY A 35 8.855 -1.231 -3.054 1.00 0.00 N ATOM 519 CA GLY A 35 10.012 -0.418 -3.381 1.00 0.00 C ATOM 520 C GLY A 35 9.629 0.933 -3.951 1.00 0.00 C ATOM 521 O GLY A 35 9.830 1.194 -5.137 1.00 0.00 O ATOM 0 H GLY A 35 8.447 -1.047 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.615 -0.273 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.634 -0.950 -4.101 1.00 0.00 H new ATOM 525 N GLY A 36 9.073 1.795 -3.105 1.00 0.00 N ATOM 526 CA GLY A 36 8.668 3.115 -3.551 1.00 0.00 C ATOM 527 C GLY A 36 7.891 3.075 -4.852 1.00 0.00 C ATOM 528 O GLY A 36 7.975 3.998 -5.662 1.00 0.00 O ATOM 0 H GLY A 36 8.896 1.603 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.056 3.583 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.552 3.739 -3.679 1.00 0.00 H new ATOM 532 N ASP A 37 7.134 2.002 -5.054 1.00 0.00 N ATOM 533 CA ASP A 37 6.339 1.845 -6.267 1.00 0.00 C ATOM 534 C ASP A 37 4.877 2.195 -6.008 1.00 0.00 C ATOM 535 O ASP A 37 4.232 1.610 -5.137 1.00 0.00 O ATOM 536 CB ASP A 37 6.447 0.412 -6.790 1.00 0.00 C ATOM 537 CG ASP A 37 6.143 0.312 -8.272 1.00 0.00 C ATOM 538 OD1 ASP A 37 5.654 1.308 -8.846 1.00 0.00 O ATOM 539 OD2 ASP A 37 6.394 -0.761 -8.858 1.00 0.00 O ATOM 0 H ASP A 37 7.054 1.228 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 37 6.730 2.530 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.452 0.035 -6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.758 -0.226 -6.237 1.00 0.00 H new ATOM 544 N LEU A 38 4.361 3.155 -6.768 1.00 0.00 N ATOM 545 CA LEU A 38 2.975 3.585 -6.621 1.00 0.00 C ATOM 546 C LEU A 38 2.019 2.555 -7.213 1.00 0.00 C ATOM 547 O LEU A 38 1.031 2.174 -6.585 1.00 0.00 O ATOM 548 CB LEU A 38 2.766 4.940 -7.298 1.00 0.00 C ATOM 549 CG LEU A 38 3.428 6.140 -6.618 1.00 0.00 C ATOM 550 CD1 LEU A 38 2.664 7.418 -6.929 1.00 0.00 C ATOM 551 CD2 LEU A 38 3.515 5.920 -5.115 1.00 0.00 C ATOM 0 H LEU A 38 4.882 3.650 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 38 2.762 3.681 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.140 4.875 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.695 5.130 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 38 4.440 6.242 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.149 8.261 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.654 7.583 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.640 7.327 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.989 6.783 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.512 5.791 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.107 5.027 -4.912 1.00 0.00 H new ATOM 563 N LYS A 39 2.320 2.105 -8.427 1.00 0.00 N ATOM 564 CA LYS A 39 1.490 1.116 -9.105 1.00 0.00 C ATOM 565 C LYS A 39 1.502 -0.211 -8.353 1.00 0.00 C ATOM 566 O LYS A 39 0.457 -0.702 -7.928 1.00 0.00 O ATOM 567 CB LYS A 39 1.981 0.906 -10.539 1.00 0.00 C ATOM 568 CG LYS A 39 1.193 -0.143 -11.304 1.00 0.00 C ATOM 569 CD LYS A 39 1.796 -1.527 -11.133 1.00 0.00 C ATOM 570 CE LYS A 39 1.411 -2.448 -12.281 1.00 0.00 C ATOM 571 NZ LYS A 39 2.282 -3.655 -12.340 1.00 0.00 N ATOM 0 H LYS A 39 3.133 2.410 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 39 0.467 1.491 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.925 1.853 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.031 0.614 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.160 -0.149 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.171 0.117 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.882 -1.448 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.459 -1.958 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.372 -2.756 -12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.481 -1.903 -13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.531 -3.856 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.150 -3.484 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.775 -4.469 -11.939 1.00 0.00 H new ATOM 585 N GLN A 40 2.690 -0.784 -8.192 1.00 0.00 N ATOM 586 CA GLN A 40 2.837 -2.054 -7.490 1.00 0.00 C ATOM 587 C GLN A 40 2.285 -1.958 -6.071 1.00 0.00 C ATOM 588 O GLN A 40 1.583 -2.856 -5.607 1.00 0.00 O ATOM 589 CB GLN A 40 4.307 -2.472 -7.451 1.00 0.00 C ATOM 590 CG GLN A 40 4.725 -3.338 -8.628 1.00 0.00 C ATOM 591 CD GLN A 40 4.526 -4.818 -8.365 1.00 0.00 C ATOM 592 OE1 GLN A 40 5.016 -5.354 -7.370 1.00 0.00 O ATOM 593 NE2 GLN A 40 3.805 -5.486 -9.257 1.00 0.00 N ATOM 0 H GLN A 40 3.565 -0.389 -8.538 1.00 0.00 H new ATOM 0 HA GLN A 40 2.267 -2.808 -8.032 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.930 -1.578 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.497 -3.015 -6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.151 -3.049 -9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.774 -3.152 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.418 -5.001 -10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.638 -6.484 -9.133 1.00 0.00 H new ATOM 602 N ALA A 41 2.608 -0.865 -5.388 1.00 0.00 N ATOM 603 CA ALA A 41 2.143 -0.652 -4.023 1.00 0.00 C ATOM 604 C ALA A 41 0.707 -1.137 -3.850 1.00 0.00 C ATOM 605 O ALA A 41 0.415 -1.933 -2.959 1.00 0.00 O ATOM 606 CB ALA A 41 2.254 0.819 -3.652 1.00 0.00 C ATOM 0 H ALA A 41 3.190 -0.113 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 41 2.778 -1.233 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.903 0.964 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.294 1.136 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.644 1.413 -4.333 1.00 0.00 H new ATOM 612 N GLU A 42 -0.184 -0.651 -4.708 1.00 0.00 N ATOM 613 CA GLU A 42 -1.590 -1.034 -4.648 1.00 0.00 C ATOM 614 C GLU A 42 -1.748 -2.545 -4.793 1.00 0.00 C ATOM 615 O GLU A 42 -2.351 -3.201 -3.943 1.00 0.00 O ATOM 616 CB GLU A 42 -2.384 -0.320 -5.743 1.00 0.00 C ATOM 617 CG GLU A 42 -3.762 -0.914 -5.981 1.00 0.00 C ATOM 618 CD GLU A 42 -4.767 0.117 -6.459 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.154 0.986 -5.651 1.00 0.00 O ATOM 620 OE2 GLU A 42 -5.165 0.054 -7.641 1.00 0.00 O ATOM 0 H GLU A 42 0.042 0.008 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.980 -0.736 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.492 0.731 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.817 -0.355 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.687 -1.712 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.123 -1.367 -5.058 1.00 0.00 H new ATOM 627 N ILE A 43 -1.202 -3.090 -5.875 1.00 0.00 N ATOM 628 CA ILE A 43 -1.282 -4.523 -6.131 1.00 0.00 C ATOM 629 C ILE A 43 -0.971 -5.325 -4.872 1.00 0.00 C ATOM 630 O ILE A 43 -1.630 -6.323 -4.581 1.00 0.00 O ATOM 631 CB ILE A 43 -0.314 -4.949 -7.250 1.00 0.00 C ATOM 632 CG1 ILE A 43 -0.711 -4.293 -8.575 1.00 0.00 C ATOM 633 CG2 ILE A 43 -0.298 -6.464 -7.388 1.00 0.00 C ATOM 634 CD1 ILE A 43 0.344 -4.421 -9.651 1.00 0.00 C ATOM 0 H ILE A 43 -0.700 -2.561 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.304 -4.731 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 43 0.690 -4.616 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.638 -4.743 -8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.915 -3.237 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.391 -6.750 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.026 -6.912 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.300 -6.818 -7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.004 -3.934 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.266 -3.946 -9.315 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.532 -5.476 -9.853 1.00 0.00 H new ATOM 646 N TRP A 44 0.036 -4.880 -4.129 1.00 0.00 N ATOM 647 CA TRP A 44 0.434 -5.556 -2.899 1.00 0.00 C ATOM 648 C TRP A 44 -0.683 -5.502 -1.862 1.00 0.00 C ATOM 649 O TRP A 44 -1.184 -6.537 -1.421 1.00 0.00 O ATOM 650 CB TRP A 44 1.704 -4.920 -2.331 1.00 0.00 C ATOM 651 CG TRP A 44 2.309 -5.703 -1.206 1.00 0.00 C ATOM 652 CD1 TRP A 44 3.097 -6.814 -1.311 1.00 0.00 C ATOM 653 CD2 TRP A 44 2.173 -5.436 0.194 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.459 -7.254 -0.061 1.00 0.00 N ATOM 655 CE2 TRP A 44 2.906 -6.425 0.880 1.00 0.00 C ATOM 656 CE3 TRP A 44 1.506 -4.458 0.936 1.00 0.00 C ATOM 657 CZ2 TRP A 44 2.988 -6.462 2.269 1.00 0.00 C ATOM 658 CZ3 TRP A 44 1.588 -4.495 2.315 1.00 0.00 C ATOM 659 CH2 TRP A 44 2.325 -5.491 2.970 1.00 0.00 C ATOM 0 H TRP A 44 0.591 -4.055 -4.356 1.00 0.00 H new ATOM 0 HA TRP A 44 0.634 -6.601 -3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.439 -4.818 -3.129 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.472 -3.914 -1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.392 -7.278 -2.240 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.044 -8.066 0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.936 -3.686 0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.554 -7.229 2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.076 -3.744 2.898 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.371 -5.492 4.049 1.00 0.00 H new ATOM 670 N LEU A 45 -1.070 -4.291 -1.478 1.00 0.00 N ATOM 671 CA LEU A 45 -2.129 -4.103 -0.493 1.00 0.00 C ATOM 672 C LEU A 45 -3.338 -4.974 -0.819 1.00 0.00 C ATOM 673 O LEU A 45 -3.742 -5.819 -0.020 1.00 0.00 O ATOM 674 CB LEU A 45 -2.547 -2.632 -0.438 1.00 0.00 C ATOM 675 CG LEU A 45 -1.593 -1.691 0.299 1.00 0.00 C ATOM 676 CD1 LEU A 45 -1.980 -0.241 0.055 1.00 0.00 C ATOM 677 CD2 LEU A 45 -1.583 -2.000 1.789 1.00 0.00 C ATOM 0 H LEU A 45 -0.666 -3.424 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.741 -4.401 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.666 -2.270 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.526 -2.571 0.038 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.587 -1.847 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.290 0.414 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.933 -0.027 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.994 -0.070 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.899 -1.320 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.587 -1.873 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.256 -3.028 1.945 1.00 0.00 H new ATOM 689 N HIS A 46 -3.910 -4.764 -2.001 1.00 0.00 N ATOM 690 CA HIS A 46 -5.071 -5.533 -2.435 1.00 0.00 C ATOM 691 C HIS A 46 -4.809 -7.031 -2.310 1.00 0.00 C ATOM 692 O HIS A 46 -5.659 -7.784 -1.835 1.00 0.00 O ATOM 693 CB HIS A 46 -5.429 -5.185 -3.880 1.00 0.00 C ATOM 694 CG HIS A 46 -5.963 -3.795 -4.046 1.00 0.00 C ATOM 695 ND1 HIS A 46 -6.704 -3.153 -3.077 1.00 0.00 N ATOM 696 CD2 HIS A 46 -5.859 -2.924 -5.077 1.00 0.00 C ATOM 697 CE1 HIS A 46 -7.034 -1.948 -3.505 1.00 0.00 C ATOM 698 NE2 HIS A 46 -6.533 -1.784 -4.716 1.00 0.00 N ATOM 0 H HIS A 46 -3.589 -4.069 -2.674 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.909 -5.274 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.543 -5.302 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.171 -5.896 -4.243 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.958 -3.547 -2.171 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.342 -3.094 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.615 -1.220 -2.958 1.00 0.00 H new ATOM 707 N LYS A 47 -3.627 -7.457 -2.741 1.00 0.00 N ATOM 708 CA LYS A 47 -3.251 -8.865 -2.678 1.00 0.00 C ATOM 709 C LYS A 47 -3.270 -9.369 -1.239 1.00 0.00 C ATOM 710 O LYS A 47 -3.745 -10.470 -0.964 1.00 0.00 O ATOM 711 CB LYS A 47 -1.860 -9.070 -3.283 1.00 0.00 C ATOM 712 CG LYS A 47 -1.877 -9.289 -4.786 1.00 0.00 C ATOM 713 CD LYS A 47 -0.490 -9.136 -5.387 1.00 0.00 C ATOM 714 CE LYS A 47 0.322 -10.414 -5.247 1.00 0.00 C ATOM 715 NZ LYS A 47 1.646 -10.307 -5.921 1.00 0.00 N ATOM 0 H LYS A 47 -2.912 -6.847 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.979 -9.436 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.243 -8.200 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.388 -9.928 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.262 -10.285 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.557 -8.575 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.576 -8.872 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.033 -8.316 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.469 -10.637 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.236 -11.247 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.169 -11.198 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.506 -10.120 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.189 -9.528 -5.497 1.00 0.00 H new ATOM 729 N GLU A 48 -2.752 -8.555 -0.324 1.00 0.00 N ATOM 730 CA GLU A 48 -2.711 -8.920 1.087 1.00 0.00 C ATOM 731 C GLU A 48 -4.111 -8.903 1.694 1.00 0.00 C ATOM 732 O GLU A 48 -4.441 -9.732 2.542 1.00 0.00 O ATOM 733 CB GLU A 48 -1.797 -7.965 1.858 1.00 0.00 C ATOM 734 CG GLU A 48 -0.317 -8.207 1.611 1.00 0.00 C ATOM 735 CD GLU A 48 0.160 -9.529 2.179 1.00 0.00 C ATOM 736 OE1 GLU A 48 0.432 -9.588 3.396 1.00 0.00 O ATOM 737 OE2 GLU A 48 0.261 -10.505 1.406 1.00 0.00 O ATOM 0 H GLU A 48 -2.355 -7.639 -0.535 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.313 -9.932 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.040 -6.939 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.000 -8.063 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.123 -8.185 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.259 -7.396 2.056 1.00 0.00 H new ATOM 744 N ALA A 49 -4.928 -7.952 1.255 1.00 0.00 N ATOM 745 CA ALA A 49 -6.292 -7.827 1.753 1.00 0.00 C ATOM 746 C ALA A 49 -7.143 -9.020 1.331 1.00 0.00 C ATOM 747 O ALA A 49 -7.928 -9.544 2.121 1.00 0.00 O ATOM 748 CB ALA A 49 -6.918 -6.530 1.260 1.00 0.00 C ATOM 0 H ALA A 49 -4.669 -7.257 0.555 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.253 -7.808 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.937 -6.450 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.331 -5.684 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.936 -6.526 0.170 1.00 0.00 H new ATOM 754 N GLN A 50 -6.981 -9.443 0.081 1.00 0.00 N ATOM 755 CA GLN A 50 -7.736 -10.574 -0.445 1.00 0.00 C ATOM 756 C GLN A 50 -7.352 -11.865 0.271 1.00 0.00 C ATOM 757 O GLN A 50 -8.215 -12.657 0.651 1.00 0.00 O ATOM 758 CB GLN A 50 -7.495 -10.720 -1.949 1.00 0.00 C ATOM 759 CG GLN A 50 -8.464 -9.916 -2.801 1.00 0.00 C ATOM 760 CD GLN A 50 -8.032 -9.830 -4.251 1.00 0.00 C ATOM 761 OE1 GLN A 50 -7.346 -10.716 -4.761 1.00 0.00 O ATOM 762 NE2 GLN A 50 -8.432 -8.758 -4.925 1.00 0.00 N ATOM 0 H GLN A 50 -6.335 -9.020 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.795 -10.384 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.476 -10.406 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.573 -11.773 -2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.453 -10.371 -2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.553 -8.910 -2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.000 -8.048 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.172 -8.645 -5.905 1.00 0.00 H new ATOM 771 N LYS A 51 -6.052 -12.072 0.451 1.00 0.00 N ATOM 772 CA LYS A 51 -5.553 -13.266 1.122 1.00 0.00 C ATOM 773 C LYS A 51 -5.796 -13.187 2.626 1.00 0.00 C ATOM 774 O LYS A 51 -6.512 -14.013 3.191 1.00 0.00 O ATOM 775 CB LYS A 51 -4.058 -13.445 0.845 1.00 0.00 C ATOM 776 CG LYS A 51 -3.726 -13.587 -0.630 1.00 0.00 C ATOM 777 CD LYS A 51 -2.332 -13.069 -0.940 1.00 0.00 C ATOM 778 CE LYS A 51 -1.258 -14.024 -0.441 1.00 0.00 C ATOM 779 NZ LYS A 51 -1.279 -15.316 -1.181 1.00 0.00 N ATOM 0 H LYS A 51 -5.325 -11.428 0.141 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.095 -14.126 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.517 -12.590 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.702 -14.328 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.799 -14.635 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.459 -13.040 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.225 -12.930 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.195 -12.092 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.279 -13.558 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.405 -14.212 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.369 -15.803 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.046 -15.915 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.437 -15.134 -2.193 1.00 0.00 H new ATOM 793 N GLU A 52 -5.196 -12.189 3.266 1.00 0.00 N ATOM 794 CA GLU A 52 -5.349 -12.003 4.704 1.00 0.00 C ATOM 795 C GLU A 52 -6.802 -11.704 5.063 1.00 0.00 C ATOM 796 O GLU A 52 -7.449 -12.473 5.773 1.00 0.00 O ATOM 797 CB GLU A 52 -4.448 -10.867 5.193 1.00 0.00 C ATOM 798 CG GLU A 52 -2.974 -11.089 4.896 1.00 0.00 C ATOM 799 CD GLU A 52 -2.404 -12.284 5.633 1.00 0.00 C ATOM 800 OE1 GLU A 52 -2.856 -12.556 6.765 1.00 0.00 O ATOM 801 OE2 GLU A 52 -1.504 -12.949 5.078 1.00 0.00 O ATOM 0 H GLU A 52 -4.600 -11.497 2.812 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.054 -12.929 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.768 -9.935 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.579 -10.747 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.841 -11.231 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.413 -10.196 5.171 1.00 0.00 H new ATOM 808 N GLY A 53 -7.309 -10.579 4.566 1.00 0.00 N ATOM 809 CA GLY A 53 -8.681 -10.197 4.844 1.00 0.00 C ATOM 810 C GLY A 53 -8.774 -9.025 5.801 1.00 0.00 C ATOM 811 O GLY A 53 -8.861 -9.212 7.015 1.00 0.00 O ATOM 0 H GLY A 53 -6.794 -9.926 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.180 -9.940 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.214 -11.049 5.265 1.00 0.00 H new ATOM 815 N TRP A 54 -8.752 -7.815 5.255 1.00 0.00 N ATOM 816 CA TRP A 54 -8.833 -6.608 6.070 1.00 0.00 C ATOM 817 C TRP A 54 -10.272 -6.114 6.170 1.00 0.00 C ATOM 818 O TRP A 54 -10.804 -5.529 5.227 1.00 0.00 O ATOM 819 CB TRP A 54 -7.944 -5.511 5.482 1.00 0.00 C ATOM 820 CG TRP A 54 -6.483 -5.843 5.524 1.00 0.00 C ATOM 821 CD1 TRP A 54 -5.821 -6.503 6.520 1.00 0.00 C ATOM 822 CD2 TRP A 54 -5.504 -5.531 4.527 1.00 0.00 C ATOM 823 NE1 TRP A 54 -4.489 -6.619 6.202 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.269 -6.031 4.984 1.00 0.00 C ATOM 825 CE3 TRP A 54 -5.550 -4.879 3.292 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -3.094 -5.898 4.250 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -4.383 -4.747 2.564 1.00 0.00 C ATOM 828 CH2 TRP A 54 -3.169 -5.255 3.044 1.00 0.00 C ATOM 0 H TRP A 54 -8.679 -7.643 4.252 1.00 0.00 H new ATOM 0 HA TRP A 54 -8.482 -6.852 7.073 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.238 -5.330 4.448 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.114 -4.584 6.029 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.277 -6.878 7.424 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.779 -7.070 6.779 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.481 -4.485 2.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.157 -6.288 4.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.407 -4.244 1.609 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.274 -5.137 2.451 1.00 0.00 H new ATOM 839 N SER A 55 -10.896 -6.353 7.320 1.00 0.00 N ATOM 840 CA SER A 55 -12.275 -5.935 7.541 1.00 0.00 C ATOM 841 C SER A 55 -12.411 -4.420 7.415 1.00 0.00 C ATOM 842 O SER A 55 -11.604 -3.665 7.957 1.00 0.00 O ATOM 843 CB SER A 55 -12.751 -6.387 8.923 1.00 0.00 C ATOM 844 OG SER A 55 -11.927 -5.856 9.946 1.00 0.00 O ATOM 0 H SER A 55 -10.468 -6.833 8.112 1.00 0.00 H new ATOM 0 HA SER A 55 -12.897 -6.403 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.781 -6.067 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.744 -7.476 8.975 1.00 0.00 H new ATOM 0 HG SER A 55 -12.254 -6.158 10.819 1.00 0.00 H new ATOM 850 N LYS A 56 -13.439 -3.983 6.695 1.00 0.00 N ATOM 851 CA LYS A 56 -13.684 -2.560 6.496 1.00 0.00 C ATOM 852 C LYS A 56 -13.775 -1.832 7.833 1.00 0.00 C ATOM 853 O LYS A 56 -14.301 -2.368 8.808 1.00 0.00 O ATOM 854 CB LYS A 56 -14.973 -2.350 5.699 1.00 0.00 C ATOM 855 CG LYS A 56 -16.205 -2.932 6.371 1.00 0.00 C ATOM 856 CD LYS A 56 -17.484 -2.386 5.759 1.00 0.00 C ATOM 857 CE LYS A 56 -17.763 -3.009 4.400 1.00 0.00 C ATOM 858 NZ LYS A 56 -16.878 -2.448 3.341 1.00 0.00 N ATOM 0 H LYS A 56 -14.116 -4.595 6.239 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.846 -2.147 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.124 -1.282 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.859 -2.802 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.192 -4.018 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.183 -2.701 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.321 -2.582 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.405 -1.304 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.620 -4.088 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.805 -2.840 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.445 -2.218 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.418 -1.585 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.152 -3.149 3.088 1.00 0.00 H new ATOM 872 N ALA A 57 -13.262 -0.606 7.871 1.00 0.00 N ATOM 873 CA ALA A 57 -13.290 0.196 9.087 1.00 0.00 C ATOM 874 C ALA A 57 -13.146 1.681 8.769 1.00 0.00 C ATOM 875 O ALA A 57 -12.693 2.052 7.687 1.00 0.00 O ATOM 876 CB ALA A 57 -12.190 -0.250 10.039 1.00 0.00 C ATOM 0 H ALA A 57 -12.822 -0.147 7.073 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.256 0.046 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.223 0.358 10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.338 -1.298 10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.220 -0.130 9.556 1.00 0.00 H new ATOM 882 N ALA A 58 -13.536 2.525 9.718 1.00 0.00 N ATOM 883 CA ALA A 58 -13.450 3.969 9.539 1.00 0.00 C ATOM 884 C ALA A 58 -13.117 4.666 10.854 1.00 0.00 C ATOM 885 O ALA A 58 -13.389 4.140 11.933 1.00 0.00 O ATOM 886 CB ALA A 58 -14.752 4.509 8.967 1.00 0.00 C ATOM 0 H ALA A 58 -13.915 2.234 10.619 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.644 4.176 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.673 5.589 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.947 4.042 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.571 4.284 9.650 1.00 0.00 H new ATOM 892 N SER A 59 -12.528 5.854 10.756 1.00 0.00 N ATOM 893 CA SER A 59 -12.154 6.621 11.939 1.00 0.00 C ATOM 894 C SER A 59 -13.149 7.751 12.189 1.00 0.00 C ATOM 895 O SER A 59 -12.762 8.872 12.518 1.00 0.00 O ATOM 896 CB SER A 59 -10.745 7.194 11.777 1.00 0.00 C ATOM 897 OG SER A 59 -10.715 8.202 10.781 1.00 0.00 O ATOM 0 H SER A 59 -12.300 6.306 9.870 1.00 0.00 H new ATOM 0 HA SER A 59 -12.169 5.949 12.797 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.406 7.607 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.053 6.395 11.511 1.00 0.00 H new ATOM 0 HG SER A 59 -9.804 8.553 10.698 1.00 0.00 H new ATOM 903 N GLY A 60 -14.433 7.446 12.031 1.00 0.00 N ATOM 904 CA GLY A 60 -15.464 8.445 12.244 1.00 0.00 C ATOM 905 C GLY A 60 -16.345 8.125 13.435 1.00 0.00 C ATOM 906 O GLY A 60 -15.973 7.353 14.319 1.00 0.00 O ATOM 0 H GLY A 60 -14.778 6.525 11.759 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.997 9.419 12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.082 8.521 11.349 1.00 0.00 H new ATOM 910 N PRO A 61 -17.542 8.729 13.471 1.00 0.00 N ATOM 911 CA PRO A 61 -18.502 8.521 14.559 1.00 0.00 C ATOM 912 C PRO A 61 -19.100 7.118 14.543 1.00 0.00 C ATOM 913 O PRO A 61 -19.282 6.523 13.481 1.00 0.00 O ATOM 914 CB PRO A 61 -19.584 9.567 14.283 1.00 0.00 C ATOM 915 CG PRO A 61 -19.500 9.821 12.817 1.00 0.00 C ATOM 916 CD PRO A 61 -18.050 9.662 12.451 1.00 0.00 C ATOM 0 HA PRO A 61 -18.035 8.620 15.539 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -20.571 9.200 14.565 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.408 10.479 14.854 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.122 9.118 12.263 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.856 10.822 12.573 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.931 9.261 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.521 10.615 12.479 1.00 0.00 H new ATOM 924 N SER A 62 -19.406 6.597 15.727 1.00 0.00 N ATOM 925 CA SER A 62 -19.982 5.263 15.848 1.00 0.00 C ATOM 926 C SER A 62 -21.465 5.276 15.490 1.00 0.00 C ATOM 927 O SER A 62 -21.890 4.627 14.534 1.00 0.00 O ATOM 928 CB SER A 62 -19.793 4.731 17.270 1.00 0.00 C ATOM 929 OG SER A 62 -20.009 3.331 17.324 1.00 0.00 O ATOM 0 H SER A 62 -19.265 7.078 16.615 1.00 0.00 H new ATOM 0 HA SER A 62 -19.464 4.606 15.149 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.785 4.960 17.616 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.485 5.235 17.945 1.00 0.00 H new ATOM 0 HG SER A 62 -19.881 3.015 18.243 1.00 0.00 H new ATOM 935 N SER A 63 -22.247 6.020 16.265 1.00 0.00 N ATOM 936 CA SER A 63 -23.684 6.116 16.033 1.00 0.00 C ATOM 937 C SER A 63 -24.161 7.558 16.172 1.00 0.00 C ATOM 938 O SER A 63 -23.810 8.251 17.126 1.00 0.00 O ATOM 939 CB SER A 63 -24.441 5.219 17.015 1.00 0.00 C ATOM 940 OG SER A 63 -24.231 5.636 18.353 1.00 0.00 O ATOM 0 H SER A 63 -21.910 6.565 17.059 1.00 0.00 H new ATOM 0 HA SER A 63 -23.887 5.781 15.016 1.00 0.00 H new ATOM 0 HB2 SER A 63 -25.507 5.242 16.787 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.112 4.186 16.897 1.00 0.00 H new ATOM 0 HG SER A 63 -24.727 5.048 18.961 1.00 0.00 H new ATOM 946 N GLY A 64 -24.966 8.004 15.211 1.00 0.00 N ATOM 947 CA GLY A 64 -25.479 9.361 15.244 1.00 0.00 C ATOM 948 C GLY A 64 -24.928 10.216 14.120 1.00 0.00 C ATOM 949 O GLY A 64 -24.391 11.297 14.360 1.00 0.00 O ATOM 0 H GLY A 64 -25.271 7.450 14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -26.567 9.337 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -25.228 9.818 16.201 1.00 0.00 H new TER 953 GLY A 64