USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 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 59 LYS NZ :NH3+ 152:sc= -0.0811 (180deg=-1.02) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 MET CE :methyl -156:sc= -2.81 (180deg=-2.21!) USER MOD Set 2.2: A 53 MET CE :methyl -108:sc= -1.2 (180deg=-0.0351) USER MOD Set 3.1: A 21 MET CE :methyl 154:sc= -7.98! (180deg=-5.95!) USER MOD Set 3.2: A 47 MET CE :methyl 156:sc= -5.94! (180deg=-0.96) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 9 MET CE :methyl -109:sc= -0.0449 (180deg=-1.54) USER MOD Single : A 10 LYS NZ :NH3+ 141:sc= -0.972 (180deg=-3.36!) USER MOD Single : A 11 THR OG1 : rot 44:sc= 0.903 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.0102 (180deg=-0.179) USER MOD Single : A 27 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.2) USER MOD Single : A 29 THR OG1 : rot -14:sc= 0.0427 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.01! K(o=-5!,f=-1.5) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 48 ASN : amide:sc= -0.476 K(o=-0.48,f=-4!) USER MOD Single : A 51 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.87) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.0868 (180deg=-0.501) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.805 13.927 -22.222 1.00 0.00 N ATOM 2 CA GLY A 1 13.374 14.879 -23.158 1.00 0.00 C ATOM 3 C GLY A 1 13.833 16.155 -22.481 1.00 0.00 C ATOM 4 O GLY A 1 15.025 16.462 -22.462 1.00 0.00 O ATOM 0 H1 GLY A 1 12.507 13.072 -22.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.518 13.672 -21.509 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.982 14.353 -21.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.219 14.419 -23.670 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.633 15.122 -23.920 1.00 0.00 H new ATOM 8 N SER A 2 12.884 16.902 -21.925 1.00 0.00 N ATOM 9 CA SER A 2 13.197 18.156 -21.249 1.00 0.00 C ATOM 10 C SER A 2 13.126 17.988 -19.734 1.00 0.00 C ATOM 11 O SER A 2 12.500 17.055 -19.230 1.00 0.00 O ATOM 12 CB SER A 2 12.233 19.256 -21.697 1.00 0.00 C ATOM 13 OG SER A 2 10.885 18.858 -21.515 1.00 0.00 O ATOM 0 H SER A 2 11.893 16.661 -21.929 1.00 0.00 H new ATOM 0 HA SER A 2 14.214 18.442 -21.519 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.426 20.167 -21.130 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.407 19.491 -22.747 1.00 0.00 H new ATOM 0 HG SER A 2 10.289 19.579 -21.807 1.00 0.00 H new ATOM 19 N SER A 3 13.773 18.898 -19.013 1.00 0.00 N ATOM 20 CA SER A 3 13.787 18.850 -17.556 1.00 0.00 C ATOM 21 C SER A 3 12.376 18.992 -16.994 1.00 0.00 C ATOM 22 O SER A 3 11.892 18.120 -16.274 1.00 0.00 O ATOM 23 CB SER A 3 14.684 19.956 -16.997 1.00 0.00 C ATOM 24 OG SER A 3 16.054 19.615 -17.125 1.00 0.00 O ATOM 0 H SER A 3 14.294 19.677 -19.414 1.00 0.00 H new ATOM 0 HA SER A 3 14.184 17.881 -17.253 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.487 20.889 -17.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.445 20.127 -15.947 1.00 0.00 H new ATOM 0 HG SER A 3 16.606 20.339 -16.762 1.00 0.00 H new ATOM 30 N GLY A 4 11.720 20.099 -17.329 1.00 0.00 N ATOM 31 CA GLY A 4 10.371 20.336 -16.849 1.00 0.00 C ATOM 32 C GLY A 4 10.344 20.830 -15.416 1.00 0.00 C ATOM 33 O GLY A 4 10.447 22.030 -15.164 1.00 0.00 O ATOM 0 H GLY A 4 12.099 20.836 -17.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.883 21.069 -17.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.795 19.414 -16.923 1.00 0.00 H new ATOM 37 N SER A 5 10.202 19.902 -14.475 1.00 0.00 N ATOM 38 CA SER A 5 10.155 20.250 -13.060 1.00 0.00 C ATOM 39 C SER A 5 10.125 18.996 -12.192 1.00 0.00 C ATOM 40 O SER A 5 9.466 18.011 -12.527 1.00 0.00 O ATOM 41 CB SER A 5 8.928 21.116 -12.766 1.00 0.00 C ATOM 42 OG SER A 5 7.729 20.394 -12.987 1.00 0.00 O ATOM 0 H SER A 5 10.118 18.904 -14.667 1.00 0.00 H new ATOM 0 HA SER A 5 11.056 20.815 -12.821 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.962 21.462 -11.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.944 22.003 -13.400 1.00 0.00 H new ATOM 0 HG SER A 5 6.960 20.969 -12.790 1.00 0.00 H new ATOM 48 N SER A 6 10.845 19.039 -11.076 1.00 0.00 N ATOM 49 CA SER A 6 10.905 17.905 -10.161 1.00 0.00 C ATOM 50 C SER A 6 10.998 18.378 -8.714 1.00 0.00 C ATOM 51 O SER A 6 11.404 19.508 -8.443 1.00 0.00 O ATOM 52 CB SER A 6 12.104 17.015 -10.496 1.00 0.00 C ATOM 53 OG SER A 6 13.318 17.741 -10.410 1.00 0.00 O ATOM 0 H SER A 6 11.395 19.847 -10.783 1.00 0.00 H new ATOM 0 HA SER A 6 9.988 17.327 -10.278 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.134 16.167 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.990 16.609 -11.501 1.00 0.00 H new ATOM 0 HG SER A 6 14.069 17.150 -10.627 1.00 0.00 H new ATOM 59 N GLY A 7 10.619 17.505 -7.786 1.00 0.00 N ATOM 60 CA GLY A 7 10.667 17.851 -6.377 1.00 0.00 C ATOM 61 C GLY A 7 12.021 17.572 -5.757 1.00 0.00 C ATOM 62 O GLY A 7 12.176 16.627 -4.984 1.00 0.00 O ATOM 0 H GLY A 7 10.279 16.564 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.427 18.907 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.903 17.288 -5.842 1.00 0.00 H new ATOM 66 N GLY A 8 13.008 18.396 -6.098 1.00 0.00 N ATOM 67 CA GLY A 8 14.344 18.215 -5.562 1.00 0.00 C ATOM 68 C GLY A 8 14.456 18.666 -4.119 1.00 0.00 C ATOM 69 O GLY A 8 14.623 19.854 -3.844 1.00 0.00 O ATOM 0 H GLY A 8 12.906 19.185 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.621 17.163 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.055 18.774 -6.170 1.00 0.00 H new ATOM 73 N MET A 9 14.361 17.716 -3.195 1.00 0.00 N ATOM 74 CA MET A 9 14.452 18.023 -1.772 1.00 0.00 C ATOM 75 C MET A 9 14.501 16.744 -0.942 1.00 0.00 C ATOM 76 O MET A 9 13.970 15.709 -1.346 1.00 0.00 O ATOM 77 CB MET A 9 13.263 18.882 -1.336 1.00 0.00 C ATOM 78 CG MET A 9 13.441 19.517 0.033 1.00 0.00 C ATOM 79 SD MET A 9 11.871 19.844 0.857 1.00 0.00 S ATOM 80 CE MET A 9 12.359 19.720 2.576 1.00 0.00 C ATOM 0 H MET A 9 14.221 16.728 -3.406 1.00 0.00 H new ATOM 0 HA MET A 9 15.374 18.580 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.103 19.668 -2.074 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.364 18.266 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.045 18.859 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.993 20.451 -0.073 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.941 18.811 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.446 19.687 2.644 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.987 20.586 3.123 1.00 0.00 H new ATOM 90 N LYS A 10 15.141 16.822 0.220 1.00 0.00 N ATOM 91 CA LYS A 10 15.260 15.671 1.107 1.00 0.00 C ATOM 92 C LYS A 10 16.003 14.529 0.422 1.00 0.00 C ATOM 93 O LYS A 10 15.624 13.364 0.545 1.00 0.00 O ATOM 94 CB LYS A 10 13.873 15.198 1.550 1.00 0.00 C ATOM 95 CG LYS A 10 13.130 16.209 2.406 1.00 0.00 C ATOM 96 CD LYS A 10 11.975 15.564 3.154 1.00 0.00 C ATOM 97 CE LYS A 10 10.779 15.337 2.243 1.00 0.00 C ATOM 98 NZ LYS A 10 11.016 14.223 1.283 1.00 0.00 N ATOM 0 H LYS A 10 15.585 17.671 0.569 1.00 0.00 H new ATOM 0 HA LYS A 10 15.831 15.977 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.275 14.974 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.977 14.268 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.820 16.660 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.752 17.014 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.299 14.612 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.682 16.199 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.899 15.115 2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.564 16.252 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.143 13.669 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.299 14.613 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.772 13.608 1.645 1.00 0.00 H new ATOM 112 N THR A 11 17.067 14.870 -0.300 1.00 0.00 N ATOM 113 CA THR A 11 17.864 13.874 -1.004 1.00 0.00 C ATOM 114 C THR A 11 19.155 13.571 -0.252 1.00 0.00 C ATOM 115 O THR A 11 20.198 14.162 -0.527 1.00 0.00 O ATOM 116 CB THR A 11 18.212 14.339 -2.431 1.00 0.00 C ATOM 117 OG1 THR A 11 18.946 15.567 -2.380 1.00 0.00 O ATOM 118 CG2 THR A 11 16.951 14.530 -3.260 1.00 0.00 C ATOM 0 H THR A 11 17.396 15.829 -0.412 1.00 0.00 H new ATOM 0 HA THR A 11 17.259 12.969 -1.062 1.00 0.00 H new ATOM 0 HB THR A 11 18.824 13.570 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.629 15.511 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.222 14.858 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.409 13.586 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.317 15.282 -2.790 1.00 0.00 H new ATOM 126 N SER A 12 19.076 12.645 0.699 1.00 0.00 N ATOM 127 CA SER A 12 20.239 12.265 1.493 1.00 0.00 C ATOM 128 C SER A 12 21.499 12.240 0.634 1.00 0.00 C ATOM 129 O SER A 12 21.434 12.043 -0.578 1.00 0.00 O ATOM 130 CB SER A 12 20.018 10.894 2.136 1.00 0.00 C ATOM 131 OG SER A 12 18.961 10.936 3.078 1.00 0.00 O ATOM 0 H SER A 12 18.220 12.145 0.938 1.00 0.00 H new ATOM 0 HA SER A 12 20.371 13.009 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.792 10.159 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.934 10.568 2.628 1.00 0.00 H new ATOM 0 HG SER A 12 18.839 10.047 3.473 1.00 0.00 H new ATOM 137 N GLY A 13 22.648 12.441 1.274 1.00 0.00 N ATOM 138 CA GLY A 13 23.908 12.438 0.554 1.00 0.00 C ATOM 139 C GLY A 13 24.302 11.053 0.080 1.00 0.00 C ATOM 140 O GLY A 13 24.376 10.798 -1.122 1.00 0.00 O ATOM 0 H GLY A 13 22.728 12.606 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 13 23.834 13.105 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 13 24.692 12.835 1.199 1.00 0.00 H new ATOM 144 N LYS A 14 24.557 10.156 1.026 1.00 0.00 N ATOM 145 CA LYS A 14 24.946 8.790 0.700 1.00 0.00 C ATOM 146 C LYS A 14 23.767 8.011 0.124 1.00 0.00 C ATOM 147 O LYS A 14 22.639 8.501 0.106 1.00 0.00 O ATOM 148 CB LYS A 14 25.480 8.079 1.946 1.00 0.00 C ATOM 149 CG LYS A 14 26.936 8.388 2.246 1.00 0.00 C ATOM 150 CD LYS A 14 27.090 9.734 2.935 1.00 0.00 C ATOM 151 CE LYS A 14 26.890 9.616 4.438 1.00 0.00 C ATOM 152 NZ LYS A 14 27.490 10.766 5.169 1.00 0.00 N ATOM 0 H LYS A 14 24.501 10.351 2.026 1.00 0.00 H new ATOM 0 HA LYS A 14 25.733 8.833 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 14 24.872 8.364 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 14 25.365 7.003 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.352 7.604 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 14 27.508 8.386 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 28.081 10.138 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 14 26.367 10.439 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 14 25.824 9.561 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 14 27.337 8.687 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 27.333 10.648 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 28.512 10.804 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 27.045 11.650 4.850 1.00 0.00 H new ATOM 166 N GLN A 15 24.038 6.797 -0.345 1.00 0.00 N ATOM 167 CA GLN A 15 22.999 5.952 -0.921 1.00 0.00 C ATOM 168 C GLN A 15 22.461 4.969 0.114 1.00 0.00 C ATOM 169 O GLN A 15 22.945 3.843 0.226 1.00 0.00 O ATOM 170 CB GLN A 15 23.545 5.189 -2.130 1.00 0.00 C ATOM 171 CG GLN A 15 22.485 4.397 -2.878 1.00 0.00 C ATOM 172 CD GLN A 15 22.842 4.174 -4.334 1.00 0.00 C ATOM 173 OE1 GLN A 15 23.104 3.047 -4.755 1.00 0.00 O ATOM 174 NE2 GLN A 15 22.855 5.250 -5.112 1.00 0.00 N ATOM 0 H GLN A 15 24.968 6.377 -0.337 1.00 0.00 H new ATOM 0 HA GLN A 15 22.181 6.595 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 15 24.010 5.897 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.328 4.508 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.346 3.432 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.533 4.925 -2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.631 6.165 -4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 15 23.089 5.162 -6.101 1.00 0.00 H new ATOM 183 N ASP A 16 21.457 5.403 0.869 1.00 0.00 N ATOM 184 CA ASP A 16 20.852 4.562 1.894 1.00 0.00 C ATOM 185 C ASP A 16 19.674 3.776 1.327 1.00 0.00 C ATOM 186 O ASP A 16 19.218 4.040 0.215 1.00 0.00 O ATOM 187 CB ASP A 16 20.391 5.414 3.077 1.00 0.00 C ATOM 188 CG ASP A 16 21.517 6.239 3.670 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.332 5.672 4.429 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.584 7.450 3.376 1.00 0.00 O ATOM 0 H ASP A 16 21.045 6.333 0.790 1.00 0.00 H new ATOM 0 HA ASP A 16 21.605 3.854 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.590 6.078 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.975 4.765 3.848 1.00 0.00 H new ATOM 195 N GLU A 17 19.186 2.811 2.100 1.00 0.00 N ATOM 196 CA GLU A 17 18.062 1.986 1.673 1.00 0.00 C ATOM 197 C GLU A 17 16.742 2.559 2.183 1.00 0.00 C ATOM 198 O GLU A 17 15.684 2.319 1.603 1.00 0.00 O ATOM 199 CB GLU A 17 18.234 0.550 2.173 1.00 0.00 C ATOM 200 CG GLU A 17 19.398 -0.183 1.528 1.00 0.00 C ATOM 201 CD GLU A 17 19.117 -0.573 0.090 1.00 0.00 C ATOM 202 OE1 GLU A 17 18.009 -1.083 -0.180 1.00 0.00 O ATOM 203 OE2 GLU A 17 20.004 -0.369 -0.765 1.00 0.00 O ATOM 0 H GLU A 17 19.551 2.581 3.024 1.00 0.00 H new ATOM 0 HA GLU A 17 18.041 1.983 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.379 0.565 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.315 -0.005 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 20.285 0.450 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.623 -1.079 2.106 1.00 0.00 H new ATOM 210 N ALA A 18 16.815 3.316 3.272 1.00 0.00 N ATOM 211 CA ALA A 18 15.628 3.924 3.860 1.00 0.00 C ATOM 212 C ALA A 18 14.961 4.885 2.882 1.00 0.00 C ATOM 213 O ALA A 18 13.740 4.881 2.727 1.00 0.00 O ATOM 214 CB ALA A 18 15.988 4.647 5.150 1.00 0.00 C ATOM 0 H ALA A 18 17.684 3.523 3.765 1.00 0.00 H new ATOM 0 HA ALA A 18 14.919 3.128 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.092 5.096 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.412 3.936 5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.719 5.427 4.938 1.00 0.00 H new ATOM 220 N TRP A 19 15.770 5.708 2.225 1.00 0.00 N ATOM 221 CA TRP A 19 15.258 6.676 1.261 1.00 0.00 C ATOM 222 C TRP A 19 14.593 5.972 0.084 1.00 0.00 C ATOM 223 O TRP A 19 13.608 6.463 -0.469 1.00 0.00 O ATOM 224 CB TRP A 19 16.389 7.576 0.760 1.00 0.00 C ATOM 225 CG TRP A 19 17.204 6.953 -0.332 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.467 6.445 -0.225 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.812 6.774 -1.698 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.885 5.962 -1.442 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.887 6.151 -2.361 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.658 7.078 -2.424 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.840 5.828 -3.715 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.612 6.757 -3.768 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.697 6.137 -4.402 1.00 0.00 C ATOM 0 H TRP A 19 16.783 5.725 2.342 1.00 0.00 H new ATOM 0 HA TRP A 19 14.510 7.290 1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.965 8.513 0.398 1.00 0.00 H new ATOM 0 HB3 TRP A 19 17.043 7.824 1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 19 19.052 6.426 0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.791 5.533 -1.630 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.817 7.555 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.676 5.351 -4.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.725 6.988 -4.339 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.630 5.898 -5.453 1.00 0.00 H new ATOM 244 N ILE A 20 15.136 4.820 -0.295 1.00 0.00 N ATOM 245 CA ILE A 20 14.593 4.048 -1.406 1.00 0.00 C ATOM 246 C ILE A 20 13.183 3.556 -1.096 1.00 0.00 C ATOM 247 O ILE A 20 12.279 3.672 -1.923 1.00 0.00 O ATOM 248 CB ILE A 20 15.485 2.839 -1.741 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.847 3.309 -2.256 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.804 1.946 -2.767 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.825 2.180 -2.498 1.00 0.00 C ATOM 0 H ILE A 20 15.952 4.401 0.151 1.00 0.00 H new ATOM 0 HA ILE A 20 14.561 4.715 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 20 15.642 2.259 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.704 3.860 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.278 4.004 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.447 1.096 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.856 1.587 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.620 2.514 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.768 2.587 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.998 1.642 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.415 1.496 -3.241 1.00 0.00 H new ATOM 263 N MET A 21 13.004 3.007 0.101 1.00 0.00 N ATOM 264 CA MET A 21 11.703 2.499 0.521 1.00 0.00 C ATOM 265 C MET A 21 10.580 3.408 0.030 1.00 0.00 C ATOM 266 O MET A 21 9.528 2.935 -0.399 1.00 0.00 O ATOM 267 CB MET A 21 11.647 2.377 2.045 1.00 0.00 C ATOM 268 CG MET A 21 10.251 2.108 2.582 1.00 0.00 C ATOM 269 SD MET A 21 10.268 1.153 4.111 1.00 0.00 S ATOM 270 CE MET A 21 9.087 -0.135 3.719 1.00 0.00 C ATOM 0 H MET A 21 13.743 2.903 0.797 1.00 0.00 H new ATOM 0 HA MET A 21 11.566 1.512 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.310 1.572 2.361 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.027 3.297 2.489 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.744 3.057 2.756 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.673 1.571 1.829 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.306 -1.023 4.313 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.080 0.214 3.946 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.155 -0.381 2.659 1.00 0.00 H new ATOM 280 N SER A 22 10.812 4.716 0.097 1.00 0.00 N ATOM 281 CA SER A 22 9.818 5.691 -0.336 1.00 0.00 C ATOM 282 C SER A 22 9.457 5.483 -1.804 1.00 0.00 C ATOM 283 O SER A 22 8.284 5.513 -2.177 1.00 0.00 O ATOM 284 CB SER A 22 10.341 7.113 -0.124 1.00 0.00 C ATOM 285 OG SER A 22 10.166 7.526 1.220 1.00 0.00 O ATOM 0 H SER A 22 11.679 5.124 0.447 1.00 0.00 H new ATOM 0 HA SER A 22 8.920 5.549 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.398 7.158 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.818 7.799 -0.790 1.00 0.00 H new ATOM 0 HG SER A 22 10.510 8.437 1.330 1.00 0.00 H new ATOM 291 N ARG A 23 10.474 5.271 -2.633 1.00 0.00 N ATOM 292 CA ARG A 23 10.266 5.060 -4.060 1.00 0.00 C ATOM 293 C ARG A 23 9.111 4.093 -4.303 1.00 0.00 C ATOM 294 O ARG A 23 8.217 4.367 -5.105 1.00 0.00 O ATOM 295 CB ARG A 23 11.542 4.520 -4.709 1.00 0.00 C ATOM 296 CG ARG A 23 12.630 5.568 -4.878 1.00 0.00 C ATOM 297 CD ARG A 23 13.570 5.216 -6.020 1.00 0.00 C ATOM 298 NE ARG A 23 13.102 5.747 -7.298 1.00 0.00 N ATOM 299 CZ ARG A 23 13.688 5.485 -8.461 1.00 0.00 C ATOM 300 NH1 ARG A 23 14.757 4.703 -8.507 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.203 6.005 -9.581 1.00 0.00 N ATOM 0 H ARG A 23 11.451 5.241 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 23 10.015 6.020 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.929 3.701 -4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.295 4.104 -5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.174 6.540 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.198 5.657 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.564 5.610 -5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.665 4.132 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 23 12.281 6.352 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.132 4.301 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.205 4.504 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.380 6.606 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.653 5.803 -10.474 1.00 0.00 H new ATOM 315 N LEU A 24 9.136 2.962 -3.607 1.00 0.00 N ATOM 316 CA LEU A 24 8.091 1.954 -3.747 1.00 0.00 C ATOM 317 C LEU A 24 6.748 2.490 -3.260 1.00 0.00 C ATOM 318 O LEU A 24 5.693 2.090 -3.754 1.00 0.00 O ATOM 319 CB LEU A 24 8.463 0.693 -2.965 1.00 0.00 C ATOM 320 CG LEU A 24 9.863 0.133 -3.221 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.266 -0.826 -2.112 1.00 0.00 C ATOM 322 CD2 LEU A 24 9.921 -0.559 -4.575 1.00 0.00 C ATOM 0 H LEU A 24 9.869 2.720 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 24 8.000 1.705 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.369 0.909 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.735 -0.083 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 24 10.569 0.963 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.265 -1.214 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.265 -0.299 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.557 -1.653 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.924 -0.951 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.203 -1.379 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.677 0.157 -5.360 1.00 0.00 H new ATOM 334 N ILE A 25 6.796 3.398 -2.291 1.00 0.00 N ATOM 335 CA ILE A 25 5.583 3.991 -1.741 1.00 0.00 C ATOM 336 C ILE A 25 4.878 4.862 -2.775 1.00 0.00 C ATOM 337 O ILE A 25 3.668 4.753 -2.974 1.00 0.00 O ATOM 338 CB ILE A 25 5.889 4.841 -0.493 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.683 4.023 0.526 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.598 5.358 0.124 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.828 3.079 1.342 1.00 0.00 C ATOM 0 H ILE A 25 7.661 3.739 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 25 4.929 3.166 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 25 6.494 5.697 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.446 3.448 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.203 4.704 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.830 5.957 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.068 5.973 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.970 4.515 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.458 2.532 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.081 3.650 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.328 2.374 0.677 1.00 0.00 H new ATOM 353 N LYS A 26 5.644 5.725 -3.434 1.00 0.00 N ATOM 354 CA LYS A 26 5.095 6.613 -4.452 1.00 0.00 C ATOM 355 C LYS A 26 4.084 5.879 -5.327 1.00 0.00 C ATOM 356 O LYS A 26 2.910 6.245 -5.375 1.00 0.00 O ATOM 357 CB LYS A 26 6.218 7.183 -5.321 1.00 0.00 C ATOM 358 CG LYS A 26 5.788 8.363 -6.175 1.00 0.00 C ATOM 359 CD LYS A 26 6.649 8.494 -7.420 1.00 0.00 C ATOM 360 CE LYS A 26 6.438 9.835 -8.106 1.00 0.00 C ATOM 361 NZ LYS A 26 7.009 10.959 -7.313 1.00 0.00 N ATOM 0 H LYS A 26 6.647 5.828 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 26 4.584 7.432 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.042 7.492 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.599 6.395 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.744 8.242 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.852 9.280 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.699 8.384 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.412 7.688 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.900 9.815 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.372 10.002 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.092 11.802 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.384 11.169 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.950 10.692 -6.960 1.00 0.00 H new ATOM 375 N GLN A 27 4.548 4.842 -6.016 1.00 0.00 N ATOM 376 CA GLN A 27 3.683 4.056 -6.888 1.00 0.00 C ATOM 377 C GLN A 27 2.323 3.821 -6.238 1.00 0.00 C ATOM 378 O GLN A 27 1.281 4.088 -6.838 1.00 0.00 O ATOM 379 CB GLN A 27 4.341 2.716 -7.222 1.00 0.00 C ATOM 380 CG GLN A 27 5.408 2.814 -8.299 1.00 0.00 C ATOM 381 CD GLN A 27 4.823 2.905 -9.695 1.00 0.00 C ATOM 382 OE1 GLN A 27 4.261 3.930 -10.080 1.00 0.00 O ATOM 383 NE2 GLN A 27 4.952 1.828 -10.462 1.00 0.00 N ATOM 0 H GLN A 27 5.518 4.526 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 27 3.532 4.618 -7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.787 2.304 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.573 2.014 -7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.028 3.690 -8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.060 1.943 -8.239 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.426 0.999 -10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.578 1.830 -11.411 1.00 0.00 H new ATOM 392 N LEU A 28 2.340 3.319 -5.008 1.00 0.00 N ATOM 393 CA LEU A 28 1.108 3.046 -4.276 1.00 0.00 C ATOM 394 C LEU A 28 0.327 4.333 -4.028 1.00 0.00 C ATOM 395 O LEU A 28 -0.869 4.410 -4.311 1.00 0.00 O ATOM 396 CB LEU A 28 1.424 2.363 -2.944 1.00 0.00 C ATOM 397 CG LEU A 28 1.471 0.835 -2.969 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.512 0.349 -3.965 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.764 0.288 -1.579 1.00 0.00 C ATOM 0 H LEU A 28 3.193 3.093 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 28 0.493 2.380 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.387 2.731 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.676 2.672 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 28 0.495 0.466 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.531 -0.741 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.259 0.711 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.493 0.728 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.794 -0.801 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.727 0.666 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.982 0.607 -0.890 1.00 0.00 H new ATOM 411 N THR A 29 1.011 5.342 -3.499 1.00 0.00 N ATOM 412 CA THR A 29 0.382 6.626 -3.213 1.00 0.00 C ATOM 413 C THR A 29 -0.259 7.214 -4.465 1.00 0.00 C ATOM 414 O THR A 29 -1.140 8.069 -4.379 1.00 0.00 O ATOM 415 CB THR A 29 1.398 7.636 -2.647 1.00 0.00 C ATOM 416 OG1 THR A 29 2.416 7.903 -3.618 1.00 0.00 O ATOM 417 CG2 THR A 29 2.034 7.106 -1.371 1.00 0.00 C ATOM 0 H THR A 29 2.001 5.295 -3.260 1.00 0.00 H new ATOM 0 HA THR A 29 -0.389 6.441 -2.465 1.00 0.00 H new ATOM 0 HB THR A 29 0.868 8.559 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.377 7.228 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.748 7.836 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.260 6.931 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.551 6.170 -1.584 1.00 0.00 H new ATOM 425 N ASP A 30 0.189 6.750 -5.627 1.00 0.00 N ATOM 426 CA ASP A 30 -0.343 7.230 -6.897 1.00 0.00 C ATOM 427 C ASP A 30 -1.546 6.398 -7.332 1.00 0.00 C ATOM 428 O ASP A 30 -2.302 6.798 -8.216 1.00 0.00 O ATOM 429 CB ASP A 30 0.739 7.186 -7.977 1.00 0.00 C ATOM 430 CG ASP A 30 1.689 8.365 -7.892 1.00 0.00 C ATOM 431 OD1 ASP A 30 2.622 8.317 -7.063 1.00 0.00 O ATOM 432 OD2 ASP A 30 1.500 9.335 -8.656 1.00 0.00 O ATOM 0 H ASP A 30 0.919 6.043 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.667 8.262 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.305 6.259 -7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.267 7.173 -8.960 1.00 0.00 H new ATOM 437 N MET A 31 -1.715 5.239 -6.704 1.00 0.00 N ATOM 438 CA MET A 31 -2.826 4.351 -7.026 1.00 0.00 C ATOM 439 C MET A 31 -4.077 4.740 -6.244 1.00 0.00 C ATOM 440 O MET A 31 -5.082 5.148 -6.825 1.00 0.00 O ATOM 441 CB MET A 31 -2.451 2.899 -6.721 1.00 0.00 C ATOM 442 CG MET A 31 -1.457 2.309 -7.708 1.00 0.00 C ATOM 443 SD MET A 31 -0.590 0.874 -7.045 1.00 0.00 S ATOM 444 CE MET A 31 -1.938 -0.296 -6.894 1.00 0.00 C ATOM 0 H MET A 31 -1.097 4.893 -5.970 1.00 0.00 H new ATOM 0 HA MET A 31 -3.039 4.448 -8.091 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.030 2.844 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.356 2.291 -6.721 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.982 2.023 -8.619 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.730 3.072 -7.986 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.690 -1.041 -6.138 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.846 0.231 -6.600 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.100 -0.790 -7.852 1.00 0.00 H new ATOM 454 N GLY A 32 -4.009 4.610 -4.923 1.00 0.00 N ATOM 455 CA GLY A 32 -5.142 4.952 -4.084 1.00 0.00 C ATOM 456 C GLY A 32 -5.002 4.417 -2.672 1.00 0.00 C ATOM 457 O GLY A 32 -5.973 3.947 -2.079 1.00 0.00 O ATOM 0 H GLY A 32 -3.189 4.274 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.250 6.036 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.054 4.555 -4.531 1.00 0.00 H new ATOM 461 N PHE A 33 -3.789 4.486 -2.133 1.00 0.00 N ATOM 462 CA PHE A 33 -3.523 4.003 -0.784 1.00 0.00 C ATOM 463 C PHE A 33 -2.550 4.925 -0.057 1.00 0.00 C ATOM 464 O PHE A 33 -1.613 5.467 -0.644 1.00 0.00 O ATOM 465 CB PHE A 33 -2.959 2.581 -0.830 1.00 0.00 C ATOM 466 CG PHE A 33 -3.666 1.687 -1.807 1.00 0.00 C ATOM 467 CD1 PHE A 33 -5.018 1.416 -1.665 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.981 1.117 -2.868 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.671 0.592 -2.562 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.629 0.293 -3.769 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.976 0.031 -3.616 1.00 0.00 C ATOM 0 H PHE A 33 -2.975 4.872 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.465 3.995 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.902 2.626 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.023 2.141 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.567 1.854 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.927 1.319 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.724 0.387 -2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.083 -0.145 -4.591 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.485 -0.611 -4.319 1.00 0.00 H new ATOM 481 N PRO A 34 -2.775 5.110 1.253 1.00 0.00 N ATOM 482 CA PRO A 34 -1.929 5.967 2.089 1.00 0.00 C ATOM 483 C PRO A 34 -0.543 5.372 2.311 1.00 0.00 C ATOM 484 O PRO A 34 -0.325 4.181 2.091 1.00 0.00 O ATOM 485 CB PRO A 34 -2.697 6.042 3.411 1.00 0.00 C ATOM 486 CG PRO A 34 -3.513 4.796 3.446 1.00 0.00 C ATOM 487 CD PRO A 34 -3.873 4.495 2.018 1.00 0.00 C ATOM 0 HA PRO A 34 -1.751 6.939 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.017 6.094 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.328 6.930 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.950 3.974 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.408 4.933 4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.937 3.422 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.839 4.922 1.748 1.00 0.00 H new ATOM 495 N ARG A 35 0.391 6.210 2.749 1.00 0.00 N ATOM 496 CA ARG A 35 1.757 5.767 3.001 1.00 0.00 C ATOM 497 C ARG A 35 1.824 4.894 4.251 1.00 0.00 C ATOM 498 O ARG A 35 2.637 3.974 4.334 1.00 0.00 O ATOM 499 CB ARG A 35 2.687 6.972 3.157 1.00 0.00 C ATOM 500 CG ARG A 35 2.352 7.848 4.353 1.00 0.00 C ATOM 501 CD ARG A 35 2.827 9.278 4.146 1.00 0.00 C ATOM 502 NE ARG A 35 2.993 9.988 5.412 1.00 0.00 N ATOM 503 CZ ARG A 35 1.992 10.564 6.068 1.00 0.00 C ATOM 504 NH1 ARG A 35 0.760 10.513 5.582 1.00 0.00 N ATOM 505 NH2 ARG A 35 2.223 11.191 7.214 1.00 0.00 N ATOM 0 H ARG A 35 0.227 7.199 2.937 1.00 0.00 H new ATOM 0 HA ARG A 35 2.083 5.174 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.714 6.618 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.641 7.576 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.275 7.842 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.816 7.435 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.775 9.271 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.110 9.812 3.522 1.00 0.00 H new ATOM 0 HE ARG A 35 3.929 10.044 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.579 10.030 4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.007 10.956 6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.170 11.231 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.454 11.633 7.717 1.00 0.00 H new ATOM 519 N GLU A 36 0.964 5.191 5.220 1.00 0.00 N ATOM 520 CA GLU A 36 0.928 4.434 6.466 1.00 0.00 C ATOM 521 C GLU A 36 1.120 2.943 6.203 1.00 0.00 C ATOM 522 O GLU A 36 2.113 2.338 6.608 1.00 0.00 O ATOM 523 CB GLU A 36 -0.399 4.668 7.192 1.00 0.00 C ATOM 524 CG GLU A 36 -0.327 5.748 8.258 1.00 0.00 C ATOM 525 CD GLU A 36 -1.647 6.470 8.447 1.00 0.00 C ATOM 526 OE1 GLU A 36 -2.035 7.243 7.547 1.00 0.00 O ATOM 527 OE2 GLU A 36 -2.293 6.260 9.495 1.00 0.00 O ATOM 0 H GLU A 36 0.284 5.949 5.167 1.00 0.00 H new ATOM 0 HA GLU A 36 1.746 4.782 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.160 4.941 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.721 3.734 7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.024 5.300 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.442 6.471 7.986 1.00 0.00 H new ATOM 534 N PRO A 37 0.147 2.335 5.507 1.00 0.00 N ATOM 535 CA PRO A 37 0.186 0.908 5.174 1.00 0.00 C ATOM 536 C PRO A 37 1.261 0.583 4.143 1.00 0.00 C ATOM 537 O PRO A 37 2.072 -0.321 4.342 1.00 0.00 O ATOM 538 CB PRO A 37 -1.207 0.641 4.597 1.00 0.00 C ATOM 539 CG PRO A 37 -1.661 1.961 4.077 1.00 0.00 C ATOM 540 CD PRO A 37 -1.065 2.994 4.993 1.00 0.00 C ATOM 0 HA PRO A 37 0.429 0.293 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.170 -0.106 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.886 0.262 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.328 2.111 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.749 2.025 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.827 3.914 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.750 3.260 5.798 1.00 0.00 H new ATOM 548 N ALA A 38 1.261 1.325 3.041 1.00 0.00 N ATOM 549 CA ALA A 38 2.239 1.117 1.980 1.00 0.00 C ATOM 550 C ALA A 38 3.622 0.836 2.555 1.00 0.00 C ATOM 551 O ALA A 38 4.353 -0.015 2.050 1.00 0.00 O ATOM 552 CB ALA A 38 2.284 2.327 1.059 1.00 0.00 C ATOM 0 H ALA A 38 0.595 2.076 2.859 1.00 0.00 H new ATOM 0 HA ALA A 38 1.931 0.246 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.018 2.158 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.302 2.481 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.564 3.211 1.633 1.00 0.00 H new ATOM 558 N GLU A 39 3.975 1.556 3.615 1.00 0.00 N ATOM 559 CA GLU A 39 5.273 1.384 4.258 1.00 0.00 C ATOM 560 C GLU A 39 5.278 0.147 5.151 1.00 0.00 C ATOM 561 O GLU A 39 6.112 -0.744 4.990 1.00 0.00 O ATOM 562 CB GLU A 39 5.627 2.623 5.082 1.00 0.00 C ATOM 563 CG GLU A 39 6.899 2.468 5.899 1.00 0.00 C ATOM 564 CD GLU A 39 6.952 3.414 7.082 1.00 0.00 C ATOM 565 OE1 GLU A 39 6.360 3.087 8.132 1.00 0.00 O ATOM 566 OE2 GLU A 39 7.587 4.483 6.958 1.00 0.00 O ATOM 0 H GLU A 39 3.381 2.264 4.047 1.00 0.00 H new ATOM 0 HA GLU A 39 6.022 1.250 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.737 3.475 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.799 2.851 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.974 1.441 6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.762 2.646 5.258 1.00 0.00 H new ATOM 573 N GLU A 40 4.341 0.100 6.093 1.00 0.00 N ATOM 574 CA GLU A 40 4.238 -1.027 7.012 1.00 0.00 C ATOM 575 C GLU A 40 4.328 -2.352 6.261 1.00 0.00 C ATOM 576 O GLU A 40 5.211 -3.168 6.523 1.00 0.00 O ATOM 577 CB GLU A 40 2.924 -0.959 7.793 1.00 0.00 C ATOM 578 CG GLU A 40 2.990 -0.064 9.019 1.00 0.00 C ATOM 579 CD GLU A 40 3.782 1.206 8.773 1.00 0.00 C ATOM 580 OE1 GLU A 40 5.008 1.107 8.559 1.00 0.00 O ATOM 581 OE2 GLU A 40 3.176 2.297 8.794 1.00 0.00 O ATOM 0 H GLU A 40 3.643 0.829 6.239 1.00 0.00 H new ATOM 0 HA GLU A 40 5.072 -0.969 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.136 -0.598 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.643 -1.965 8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.978 0.198 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.442 -0.616 9.843 1.00 0.00 H new ATOM 588 N ALA A 41 3.407 -2.559 5.326 1.00 0.00 N ATOM 589 CA ALA A 41 3.382 -3.783 4.535 1.00 0.00 C ATOM 590 C ALA A 41 4.744 -4.058 3.907 1.00 0.00 C ATOM 591 O ALA A 41 5.386 -5.065 4.209 1.00 0.00 O ATOM 592 CB ALA A 41 2.310 -3.695 3.459 1.00 0.00 C ATOM 0 H ALA A 41 2.668 -1.894 5.098 1.00 0.00 H new ATOM 0 HA ALA A 41 3.144 -4.612 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.303 -4.616 2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.336 -3.554 3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.522 -2.852 2.802 1.00 0.00 H new ATOM 598 N LEU A 42 5.179 -3.159 3.032 1.00 0.00 N ATOM 599 CA LEU A 42 6.466 -3.305 2.360 1.00 0.00 C ATOM 600 C LEU A 42 7.494 -3.946 3.286 1.00 0.00 C ATOM 601 O LEU A 42 8.033 -5.013 2.991 1.00 0.00 O ATOM 602 CB LEU A 42 6.972 -1.943 1.882 1.00 0.00 C ATOM 603 CG LEU A 42 6.441 -1.467 0.529 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.768 0.003 0.315 1.00 0.00 C ATOM 605 CD2 LEU A 42 7.015 -2.313 -0.597 1.00 0.00 C ATOM 0 H LEU A 42 4.660 -2.321 2.771 1.00 0.00 H new ATOM 0 HA LEU A 42 6.326 -3.956 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.714 -1.197 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.060 -1.980 1.830 1.00 0.00 H new ATOM 0 HG LEU A 42 5.357 -1.581 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.383 0.324 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.307 0.597 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.849 0.143 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.626 -1.960 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.102 -2.232 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.729 -3.355 -0.452 1.00 0.00 H new ATOM 617 N LYS A 43 7.762 -3.288 4.409 1.00 0.00 N ATOM 618 CA LYS A 43 8.723 -3.794 5.382 1.00 0.00 C ATOM 619 C LYS A 43 8.534 -5.291 5.607 1.00 0.00 C ATOM 620 O LYS A 43 9.496 -6.058 5.582 1.00 0.00 O ATOM 621 CB LYS A 43 8.577 -3.046 6.710 1.00 0.00 C ATOM 622 CG LYS A 43 9.077 -1.612 6.658 1.00 0.00 C ATOM 623 CD LYS A 43 9.308 -1.052 8.051 1.00 0.00 C ATOM 624 CE LYS A 43 10.580 -1.609 8.672 1.00 0.00 C ATOM 625 NZ LYS A 43 10.543 -1.550 10.159 1.00 0.00 N ATOM 0 H LYS A 43 7.327 -2.403 4.668 1.00 0.00 H new ATOM 0 HA LYS A 43 9.725 -3.628 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.527 -3.046 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.124 -3.585 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.006 -1.570 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.352 -0.992 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.372 0.035 8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.456 -1.292 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.718 -2.642 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.439 -1.046 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.428 -1.939 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.437 -0.562 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.738 -2.109 10.509 1.00 0.00 H new ATOM 639 N SER A 44 7.288 -5.699 5.824 1.00 0.00 N ATOM 640 CA SER A 44 6.973 -7.104 6.055 1.00 0.00 C ATOM 641 C SER A 44 6.969 -7.882 4.743 1.00 0.00 C ATOM 642 O SER A 44 7.106 -9.105 4.733 1.00 0.00 O ATOM 643 CB SER A 44 5.614 -7.238 6.745 1.00 0.00 C ATOM 644 OG SER A 44 5.681 -6.805 8.092 1.00 0.00 O ATOM 0 H SER A 44 6.480 -5.077 5.845 1.00 0.00 H new ATOM 0 HA SER A 44 7.744 -7.522 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.870 -6.650 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.286 -8.277 6.710 1.00 0.00 H new ATOM 0 HG SER A 44 4.800 -6.899 8.510 1.00 0.00 H new ATOM 650 N ASN A 45 6.810 -7.164 3.636 1.00 0.00 N ATOM 651 CA ASN A 45 6.787 -7.786 2.317 1.00 0.00 C ATOM 652 C ASN A 45 8.174 -7.762 1.680 1.00 0.00 C ATOM 653 O ASN A 45 8.305 -7.691 0.459 1.00 0.00 O ATOM 654 CB ASN A 45 5.785 -7.070 1.410 1.00 0.00 C ATOM 655 CG ASN A 45 4.347 -7.367 1.790 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.903 -8.514 1.736 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.611 -6.331 2.176 1.00 0.00 N ATOM 0 H ASN A 45 6.695 -6.151 3.626 1.00 0.00 H new ATOM 0 HA ASN A 45 6.480 -8.825 2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.957 -5.995 1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.955 -7.371 0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.636 -6.469 2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.021 -5.397 2.206 1.00 0.00 H new ATOM 664 N ASN A 46 9.204 -7.824 2.517 1.00 0.00 N ATOM 665 CA ASN A 46 10.581 -7.809 2.036 1.00 0.00 C ATOM 666 C ASN A 46 10.757 -6.784 0.921 1.00 0.00 C ATOM 667 O ASN A 46 11.504 -7.009 -0.031 1.00 0.00 O ATOM 668 CB ASN A 46 10.983 -9.198 1.536 1.00 0.00 C ATOM 669 CG ASN A 46 11.379 -10.128 2.667 1.00 0.00 C ATOM 670 OD1 ASN A 46 10.704 -10.197 3.694 1.00 0.00 O ATOM 671 ND2 ASN A 46 12.479 -10.849 2.482 1.00 0.00 N ATOM 0 H ASN A 46 9.112 -7.885 3.531 1.00 0.00 H new ATOM 0 HA ASN A 46 11.227 -7.528 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.152 -9.636 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.816 -9.103 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.795 -11.492 3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.008 -10.759 1.614 1.00 0.00 H new ATOM 678 N MET A 47 10.063 -5.657 1.045 1.00 0.00 N ATOM 679 CA MET A 47 10.144 -4.596 0.048 1.00 0.00 C ATOM 680 C MET A 47 9.570 -5.059 -1.287 1.00 0.00 C ATOM 681 O MET A 47 10.146 -4.803 -2.343 1.00 0.00 O ATOM 682 CB MET A 47 11.596 -4.149 -0.136 1.00 0.00 C ATOM 683 CG MET A 47 12.311 -3.854 1.173 1.00 0.00 C ATOM 684 SD MET A 47 12.114 -2.141 1.701 1.00 0.00 S ATOM 685 CE MET A 47 10.981 -2.339 3.074 1.00 0.00 C ATOM 0 H MET A 47 9.439 -5.455 1.826 1.00 0.00 H new ATOM 0 HA MET A 47 9.554 -3.752 0.404 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.142 -4.926 -0.672 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.616 -3.256 -0.761 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.927 -4.516 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.372 -4.076 1.061 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.084 -1.495 3.755 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.958 -2.380 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.210 -3.263 3.604 1.00 0.00 H new ATOM 695 N ASN A 48 8.431 -5.743 -1.231 1.00 0.00 N ATOM 696 CA ASN A 48 7.780 -6.243 -2.436 1.00 0.00 C ATOM 697 C ASN A 48 6.537 -5.421 -2.763 1.00 0.00 C ATOM 698 O ASN A 48 5.752 -5.083 -1.876 1.00 0.00 O ATOM 699 CB ASN A 48 7.401 -7.715 -2.263 1.00 0.00 C ATOM 700 CG ASN A 48 8.612 -8.627 -2.258 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.717 -8.209 -1.910 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.410 -9.881 -2.647 1.00 0.00 N ATOM 0 H ASN A 48 7.941 -5.963 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 48 8.483 -6.151 -3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.853 -7.839 -1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.730 -8.012 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.188 -10.541 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.477 -10.184 -2.927 1.00 0.00 H new ATOM 709 N LEU A 49 6.364 -5.103 -4.041 1.00 0.00 N ATOM 710 CA LEU A 49 5.215 -4.321 -4.487 1.00 0.00 C ATOM 711 C LEU A 49 3.992 -5.212 -4.679 1.00 0.00 C ATOM 712 O LEU A 49 2.987 -5.062 -3.984 1.00 0.00 O ATOM 713 CB LEU A 49 5.543 -3.596 -5.793 1.00 0.00 C ATOM 714 CG LEU A 49 4.811 -2.274 -6.028 1.00 0.00 C ATOM 715 CD1 LEU A 49 5.169 -1.266 -4.948 1.00 0.00 C ATOM 716 CD2 LEU A 49 5.140 -1.721 -7.407 1.00 0.00 C ATOM 0 H LEU A 49 7.004 -5.374 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 49 4.987 -3.584 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.616 -3.404 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.318 -4.265 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 49 3.738 -2.461 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.639 -0.332 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.882 -1.660 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.243 -1.082 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.611 -0.780 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.214 -1.550 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.832 -2.437 -8.169 1.00 0.00 H new ATOM 728 N ASP A 50 4.085 -6.140 -5.625 1.00 0.00 N ATOM 729 CA ASP A 50 2.987 -7.057 -5.907 1.00 0.00 C ATOM 730 C ASP A 50 2.455 -7.680 -4.620 1.00 0.00 C ATOM 731 O ASP A 50 1.245 -7.751 -4.409 1.00 0.00 O ATOM 732 CB ASP A 50 3.446 -8.156 -6.867 1.00 0.00 C ATOM 733 CG ASP A 50 3.325 -7.742 -8.321 1.00 0.00 C ATOM 734 OD1 ASP A 50 2.327 -7.076 -8.666 1.00 0.00 O ATOM 735 OD2 ASP A 50 4.228 -8.085 -9.113 1.00 0.00 O ATOM 0 H ASP A 50 4.910 -6.277 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 50 2.183 -6.489 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.483 -8.414 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.852 -9.054 -6.697 1.00 0.00 H new ATOM 740 N GLN A 51 3.368 -8.129 -3.764 1.00 0.00 N ATOM 741 CA GLN A 51 2.989 -8.747 -2.499 1.00 0.00 C ATOM 742 C GLN A 51 2.324 -7.732 -1.575 1.00 0.00 C ATOM 743 O GLN A 51 1.321 -8.032 -0.927 1.00 0.00 O ATOM 744 CB GLN A 51 4.217 -9.350 -1.814 1.00 0.00 C ATOM 745 CG GLN A 51 4.636 -10.692 -2.390 1.00 0.00 C ATOM 746 CD GLN A 51 3.529 -11.726 -2.327 1.00 0.00 C ATOM 747 OE1 GLN A 51 2.704 -11.825 -3.235 1.00 0.00 O ATOM 748 NE2 GLN A 51 3.506 -12.504 -1.251 1.00 0.00 N ATOM 0 H GLN A 51 4.374 -8.076 -3.924 1.00 0.00 H new ATOM 0 HA GLN A 51 2.273 -9.541 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.050 -8.652 -1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.008 -9.469 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.944 -10.558 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.505 -11.062 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.210 -12.387 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.784 -13.218 -1.153 1.00 0.00 H new ATOM 757 N ALA A 52 2.889 -6.530 -1.520 1.00 0.00 N ATOM 758 CA ALA A 52 2.349 -5.471 -0.677 1.00 0.00 C ATOM 759 C ALA A 52 0.940 -5.086 -1.113 1.00 0.00 C ATOM 760 O ALA A 52 -0.010 -5.187 -0.337 1.00 0.00 O ATOM 761 CB ALA A 52 3.264 -4.255 -0.707 1.00 0.00 C ATOM 0 H ALA A 52 3.720 -6.266 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 52 2.294 -5.846 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.849 -3.471 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.252 -4.534 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.348 -3.888 -1.730 1.00 0.00 H new ATOM 767 N MET A 53 0.812 -4.643 -2.360 1.00 0.00 N ATOM 768 CA MET A 53 -0.483 -4.243 -2.899 1.00 0.00 C ATOM 769 C MET A 53 -1.569 -5.237 -2.499 1.00 0.00 C ATOM 770 O MET A 53 -2.544 -4.873 -1.842 1.00 0.00 O ATOM 771 CB MET A 53 -0.413 -4.134 -4.424 1.00 0.00 C ATOM 772 CG MET A 53 0.193 -2.827 -4.912 1.00 0.00 C ATOM 773 SD MET A 53 0.778 -2.927 -6.614 1.00 0.00 S ATOM 774 CE MET A 53 -0.760 -3.212 -7.485 1.00 0.00 C ATOM 0 H MET A 53 1.588 -4.552 -3.015 1.00 0.00 H new ATOM 0 HA MET A 53 -0.736 -3.268 -2.483 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.175 -4.965 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.418 -4.235 -4.834 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.551 -2.034 -4.833 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.023 -2.551 -4.262 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.792 -4.243 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.598 -3.033 -6.811 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.827 -2.534 -8.336 1.00 0.00 H new ATOM 784 N SER A 54 -1.394 -6.492 -2.899 1.00 0.00 N ATOM 785 CA SER A 54 -2.361 -7.537 -2.586 1.00 0.00 C ATOM 786 C SER A 54 -2.629 -7.596 -1.085 1.00 0.00 C ATOM 787 O SER A 54 -3.761 -7.812 -0.654 1.00 0.00 O ATOM 788 CB SER A 54 -1.856 -8.894 -3.079 1.00 0.00 C ATOM 789 OG SER A 54 -2.818 -9.909 -2.852 1.00 0.00 O ATOM 0 H SER A 54 -0.591 -6.810 -3.441 1.00 0.00 H new ATOM 0 HA SER A 54 -3.294 -7.298 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.628 -8.836 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.927 -9.148 -2.568 1.00 0.00 H new ATOM 0 HG SER A 54 -2.472 -10.766 -3.177 1.00 0.00 H new ATOM 795 N ALA A 55 -1.578 -7.402 -0.294 1.00 0.00 N ATOM 796 CA ALA A 55 -1.699 -7.431 1.158 1.00 0.00 C ATOM 797 C ALA A 55 -2.576 -6.289 1.659 1.00 0.00 C ATOM 798 O ALA A 55 -3.148 -6.362 2.747 1.00 0.00 O ATOM 799 CB ALA A 55 -0.323 -7.366 1.803 1.00 0.00 C ATOM 0 H ALA A 55 -0.633 -7.223 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.176 -8.370 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.428 -7.388 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.272 -8.220 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.175 -6.443 1.506 1.00 0.00 H new ATOM 805 N LEU A 56 -2.677 -5.232 0.859 1.00 0.00 N ATOM 806 CA LEU A 56 -3.484 -4.072 1.222 1.00 0.00 C ATOM 807 C LEU A 56 -4.905 -4.209 0.685 1.00 0.00 C ATOM 808 O LEU A 56 -5.876 -4.095 1.434 1.00 0.00 O ATOM 809 CB LEU A 56 -2.843 -2.792 0.683 1.00 0.00 C ATOM 810 CG LEU A 56 -1.394 -2.540 1.101 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.814 -1.364 0.330 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.305 -2.294 2.600 1.00 0.00 C ATOM 0 H LEU A 56 -2.210 -5.155 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.530 -4.017 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.887 -2.818 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.446 -1.943 1.006 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.808 -3.428 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.218 -1.199 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.842 -1.580 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.402 -0.469 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.266 -2.117 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.905 -1.422 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.680 -3.167 3.135 1.00 0.00 H new ATOM 824 N LEU A 57 -5.019 -4.454 -0.615 1.00 0.00 N ATOM 825 CA LEU A 57 -6.322 -4.608 -1.253 1.00 0.00 C ATOM 826 C LEU A 57 -7.137 -5.701 -0.569 1.00 0.00 C ATOM 827 O LEU A 57 -8.275 -5.474 -0.159 1.00 0.00 O ATOM 828 CB LEU A 57 -6.150 -4.938 -2.737 1.00 0.00 C ATOM 829 CG LEU A 57 -5.862 -3.752 -3.659 1.00 0.00 C ATOM 830 CD1 LEU A 57 -5.029 -4.194 -4.852 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.161 -3.110 -4.122 1.00 0.00 C ATOM 0 H LEU A 57 -4.225 -4.550 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.860 -3.665 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.336 -5.656 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.056 -5.432 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.292 -3.010 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.834 -3.337 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.083 -4.608 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.572 -4.954 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.937 -2.268 -4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.756 -3.844 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.721 -2.757 -3.256 1.00 0.00 H new ATOM 843 N GLU A 58 -6.546 -6.885 -0.448 1.00 0.00 N ATOM 844 CA GLU A 58 -7.218 -8.012 0.188 1.00 0.00 C ATOM 845 C GLU A 58 -8.106 -7.539 1.335 1.00 0.00 C ATOM 846 O GLU A 58 -9.193 -8.074 1.556 1.00 0.00 O ATOM 847 CB GLU A 58 -6.191 -9.021 0.706 1.00 0.00 C ATOM 848 CG GLU A 58 -5.485 -8.574 1.975 1.00 0.00 C ATOM 849 CD GLU A 58 -6.294 -8.860 3.225 1.00 0.00 C ATOM 850 OE1 GLU A 58 -7.120 -9.796 3.196 1.00 0.00 O ATOM 851 OE2 GLU A 58 -6.101 -8.147 4.232 1.00 0.00 O ATOM 0 H GLU A 58 -5.604 -7.089 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.847 -8.496 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.691 -9.971 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.447 -9.200 -0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.522 -9.079 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.281 -7.505 1.915 1.00 0.00 H new ATOM 858 N LYS A 59 -7.635 -6.533 2.064 1.00 0.00 N ATOM 859 CA LYS A 59 -8.384 -5.986 3.189 1.00 0.00 C ATOM 860 C LYS A 59 -9.784 -5.562 2.755 1.00 0.00 C ATOM 861 O LYS A 59 -10.777 -5.933 3.381 1.00 0.00 O ATOM 862 CB LYS A 59 -7.641 -4.790 3.790 1.00 0.00 C ATOM 863 CG LYS A 59 -6.250 -5.130 4.295 1.00 0.00 C ATOM 864 CD LYS A 59 -6.301 -5.808 5.654 1.00 0.00 C ATOM 865 CE LYS A 59 -6.274 -4.791 6.785 1.00 0.00 C ATOM 866 NZ LYS A 59 -7.644 -4.357 7.173 1.00 0.00 N ATOM 0 H LYS A 59 -6.737 -6.080 1.896 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.477 -6.766 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.563 -4.005 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.228 -4.384 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.752 -5.784 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.654 -4.220 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.206 -6.411 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.455 -6.488 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.771 -5.223 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.691 -3.922 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.648 -4.075 8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.932 -3.549 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.310 -5.143 7.032 1.00 0.00 H new ATOM 880 N LYS A 60 -9.855 -4.784 1.680 1.00 0.00 N ATOM 881 CA LYS A 60 -11.133 -4.312 1.161 1.00 0.00 C ATOM 882 C LYS A 60 -11.688 -5.279 0.120 1.00 0.00 C ATOM 883 O LYS A 60 -10.985 -5.676 -0.810 1.00 0.00 O ATOM 884 CB LYS A 60 -10.974 -2.920 0.546 1.00 0.00 C ATOM 885 CG LYS A 60 -11.195 -1.789 1.535 1.00 0.00 C ATOM 886 CD LYS A 60 -9.921 -1.454 2.293 1.00 0.00 C ATOM 887 CE LYS A 60 -9.800 -2.274 3.568 1.00 0.00 C ATOM 888 NZ LYS A 60 -8.851 -1.656 4.536 1.00 0.00 N ATOM 0 H LYS A 60 -9.042 -4.467 1.151 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.836 -4.257 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.973 -2.831 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.679 -2.814 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.547 -0.904 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.977 -2.069 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.057 -1.641 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.911 -0.392 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.781 -2.370 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.463 -3.281 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.834 -2.217 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.898 -1.633 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.158 -0.686 4.752 1.00 0.00 H new ATOM 902 N VAL A 61 -12.954 -5.652 0.280 1.00 0.00 N ATOM 903 CA VAL A 61 -13.604 -6.570 -0.647 1.00 0.00 C ATOM 904 C VAL A 61 -14.519 -5.822 -1.610 1.00 0.00 C ATOM 905 O VAL A 61 -15.507 -5.215 -1.198 1.00 0.00 O ATOM 906 CB VAL A 61 -14.426 -7.636 0.102 1.00 0.00 C ATOM 907 CG1 VAL A 61 -15.502 -6.980 0.953 1.00 0.00 C ATOM 908 CG2 VAL A 61 -15.039 -8.623 -0.881 1.00 0.00 C ATOM 0 H VAL A 61 -13.550 -5.332 1.044 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.813 -7.063 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 61 -13.758 -8.186 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.072 -7.749 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.036 -6.317 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -16.170 -6.403 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.616 -9.369 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.694 -8.090 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.246 -9.117 -1.443 1.00 0.00 H new ATOM 918 N ASP A 62 -14.183 -5.871 -2.894 1.00 0.00 N ATOM 919 CA ASP A 62 -14.976 -5.199 -3.918 1.00 0.00 C ATOM 920 C ASP A 62 -15.214 -6.119 -5.111 1.00 0.00 C ATOM 921 O ASP A 62 -14.664 -7.218 -5.181 1.00 0.00 O ATOM 922 CB ASP A 62 -14.276 -3.919 -4.376 1.00 0.00 C ATOM 923 CG ASP A 62 -14.503 -2.762 -3.423 1.00 0.00 C ATOM 924 OD1 ASP A 62 -14.570 -3.005 -2.201 1.00 0.00 O ATOM 925 OD2 ASP A 62 -14.614 -1.613 -3.901 1.00 0.00 O ATOM 0 H ASP A 62 -13.367 -6.369 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 62 -15.942 -4.940 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.206 -4.106 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.637 -3.646 -5.367 1.00 0.00 H new ATOM 930 N VAL A 63 -16.038 -5.662 -6.049 1.00 0.00 N ATOM 931 CA VAL A 63 -16.349 -6.443 -7.240 1.00 0.00 C ATOM 932 C VAL A 63 -15.302 -6.229 -8.327 1.00 0.00 C ATOM 933 O VAL A 63 -14.803 -7.185 -8.919 1.00 0.00 O ATOM 934 CB VAL A 63 -17.738 -6.082 -7.801 1.00 0.00 C ATOM 935 CG1 VAL A 63 -18.022 -6.870 -9.070 1.00 0.00 C ATOM 936 CG2 VAL A 63 -18.815 -6.330 -6.756 1.00 0.00 C ATOM 0 H VAL A 63 -16.502 -4.755 -6.007 1.00 0.00 H new ATOM 0 HA VAL A 63 -16.348 -7.491 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.746 -5.021 -8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.007 -6.602 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.266 -6.637 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.996 -7.937 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.790 -6.070 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.811 -7.382 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -18.618 -5.716 -5.877 1.00 0.00 H new ATOM 946 N ASP A 64 -14.974 -4.967 -8.584 1.00 0.00 N ATOM 947 CA ASP A 64 -13.985 -4.626 -9.600 1.00 0.00 C ATOM 948 C ASP A 64 -12.596 -4.492 -8.982 1.00 0.00 C ATOM 949 O ASP A 64 -12.446 -3.987 -7.869 1.00 0.00 O ATOM 950 CB ASP A 64 -14.372 -3.324 -10.303 1.00 0.00 C ATOM 951 CG ASP A 64 -15.734 -3.406 -10.964 1.00 0.00 C ATOM 952 OD1 ASP A 64 -16.070 -4.483 -11.499 1.00 0.00 O ATOM 953 OD2 ASP A 64 -16.463 -2.392 -10.947 1.00 0.00 O ATOM 0 H ASP A 64 -15.379 -4.164 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.961 -5.432 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.371 -2.509 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.620 -3.083 -11.055 1.00 0.00 H new ATOM 958 N LYS A 65 -11.584 -4.949 -9.711 1.00 0.00 N ATOM 959 CA LYS A 65 -10.207 -4.881 -9.236 1.00 0.00 C ATOM 960 C LYS A 65 -9.504 -3.643 -9.783 1.00 0.00 C ATOM 961 O LYS A 65 -9.817 -3.171 -10.876 1.00 0.00 O ATOM 962 CB LYS A 65 -9.440 -6.140 -9.649 1.00 0.00 C ATOM 963 CG LYS A 65 -9.673 -7.324 -8.726 1.00 0.00 C ATOM 964 CD LYS A 65 -10.864 -8.154 -9.174 1.00 0.00 C ATOM 965 CE LYS A 65 -11.317 -9.112 -8.083 1.00 0.00 C ATOM 966 NZ LYS A 65 -11.809 -8.389 -6.878 1.00 0.00 N ATOM 0 H LYS A 65 -11.691 -5.371 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.227 -4.816 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.731 -6.417 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.374 -5.914 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.781 -7.949 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.839 -6.967 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.688 -7.494 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.600 -8.718 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.109 -9.754 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.488 -9.762 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.448 -9.008 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.001 -8.120 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.322 -7.533 -7.172 1.00 0.00 H new ATOM 980 N ARG A 66 -8.551 -3.122 -9.016 1.00 0.00 N ATOM 981 CA ARG A 66 -7.803 -1.939 -9.425 1.00 0.00 C ATOM 982 C ARG A 66 -6.484 -2.330 -10.084 1.00 0.00 C ATOM 983 O ARG A 66 -6.085 -3.494 -10.056 1.00 0.00 O ATOM 984 CB ARG A 66 -7.535 -1.038 -8.218 1.00 0.00 C ATOM 985 CG ARG A 66 -8.678 -0.088 -7.901 1.00 0.00 C ATOM 986 CD ARG A 66 -8.175 1.196 -7.261 1.00 0.00 C ATOM 987 NE ARG A 66 -9.199 1.838 -6.442 1.00 0.00 N ATOM 988 CZ ARG A 66 -9.494 1.459 -5.203 1.00 0.00 C ATOM 989 NH1 ARG A 66 -8.844 0.447 -4.644 1.00 0.00 N ATOM 990 NH2 ARG A 66 -10.439 2.093 -4.521 1.00 0.00 N ATOM 0 H ARG A 66 -8.279 -3.500 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.404 -1.393 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.340 -1.662 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.631 -0.457 -8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.220 0.149 -8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.384 -0.578 -7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.303 0.976 -6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.849 1.885 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.716 2.620 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.116 -0.042 -5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.072 0.158 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.940 2.872 -4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.665 1.801 -3.570 1.00 0.00 H new ATOM 1004 N GLY A 67 -5.811 -1.349 -10.679 1.00 0.00 N ATOM 1005 CA GLY A 67 -4.545 -1.611 -11.338 1.00 0.00 C ATOM 1006 C GLY A 67 -3.646 -0.391 -11.371 1.00 0.00 C ATOM 1007 O GLY A 67 -4.088 0.723 -11.090 1.00 0.00 O ATOM 0 H GLY A 67 -6.120 -0.378 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.032 -2.423 -10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.732 -1.948 -12.357 1.00 0.00 H new ATOM 1011 N LEU A 68 -2.380 -0.601 -11.716 1.00 0.00 N ATOM 1012 CA LEU A 68 -1.415 0.491 -11.784 1.00 0.00 C ATOM 1013 C LEU A 68 -1.847 1.536 -12.807 1.00 0.00 C ATOM 1014 O LEU A 68 -2.590 1.236 -13.740 1.00 0.00 O ATOM 1015 CB LEU A 68 -0.029 -0.049 -12.143 1.00 0.00 C ATOM 1016 CG LEU A 68 0.536 -1.121 -11.210 1.00 0.00 C ATOM 1017 CD1 LEU A 68 1.655 -1.889 -11.896 1.00 0.00 C ATOM 1018 CD2 LEU A 68 1.032 -0.493 -9.916 1.00 0.00 C ATOM 0 H LEU A 68 -1.998 -1.517 -11.953 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.370 0.966 -10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.071 -0.459 -13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.670 0.787 -12.168 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.262 -1.823 -10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.045 -2.647 -11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.268 -2.370 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.455 -1.200 -12.169 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.431 -1.270 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.816 0.230 -10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.205 0.011 -9.416 1.00 0.00 H new ATOM 1030 N GLY A 69 -1.373 2.765 -12.626 1.00 0.00 N ATOM 1031 CA GLY A 69 -1.719 3.836 -13.543 1.00 0.00 C ATOM 1032 C GLY A 69 -3.216 3.965 -13.745 1.00 0.00 C ATOM 1033 O GLY A 69 -3.778 3.377 -14.668 1.00 0.00 O ATOM 0 H GLY A 69 -0.756 3.038 -11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.324 4.778 -13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.240 3.655 -14.505 1.00 0.00 H new ATOM 1037 N VAL A 70 -3.864 4.736 -12.878 1.00 0.00 N ATOM 1038 CA VAL A 70 -5.305 4.940 -12.964 1.00 0.00 C ATOM 1039 C VAL A 70 -5.647 6.021 -13.984 1.00 0.00 C ATOM 1040 O VAL A 70 -4.895 6.978 -14.167 1.00 0.00 O ATOM 1041 CB VAL A 70 -5.900 5.332 -11.599 1.00 0.00 C ATOM 1042 CG1 VAL A 70 -7.394 5.589 -11.721 1.00 0.00 C ATOM 1043 CG2 VAL A 70 -5.619 4.252 -10.566 1.00 0.00 C ATOM 0 H VAL A 70 -3.414 5.230 -12.108 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.740 3.992 -13.282 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.424 6.254 -11.266 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.797 5.865 -10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.567 6.401 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.891 4.686 -12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.047 4.545 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.067 3.313 -10.891 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.542 4.123 -10.459 1.00 0.00 H new ATOM 1053 N THR A 71 -6.788 5.861 -14.648 1.00 0.00 N ATOM 1054 CA THR A 71 -7.230 6.822 -15.650 1.00 0.00 C ATOM 1055 C THR A 71 -8.713 6.653 -15.958 1.00 0.00 C ATOM 1056 O THR A 71 -9.310 5.624 -15.639 1.00 0.00 O ATOM 1057 CB THR A 71 -6.427 6.681 -16.957 1.00 0.00 C ATOM 1058 OG1 THR A 71 -6.778 7.732 -17.864 1.00 0.00 O ATOM 1059 CG2 THR A 71 -6.688 5.332 -17.610 1.00 0.00 C ATOM 0 H THR A 71 -7.422 5.074 -14.509 1.00 0.00 H new ATOM 0 HA THR A 71 -7.059 7.814 -15.232 1.00 0.00 H new ATOM 0 HB THR A 71 -5.366 6.750 -16.715 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.262 7.636 -18.691 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.110 5.256 -18.531 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.392 4.535 -16.929 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.750 5.238 -17.839 1.00 0.00 H new ATOM 1067 N ASP A 72 -9.303 7.667 -16.581 1.00 0.00 N ATOM 1068 CA ASP A 72 -10.718 7.629 -16.934 1.00 0.00 C ATOM 1069 C ASP A 72 -10.908 7.812 -18.436 1.00 0.00 C ATOM 1070 O ASP A 72 -11.484 6.956 -19.108 1.00 0.00 O ATOM 1071 CB ASP A 72 -11.484 8.714 -16.175 1.00 0.00 C ATOM 1072 CG ASP A 72 -11.032 8.841 -14.733 1.00 0.00 C ATOM 1073 OD1 ASP A 72 -11.431 7.992 -13.910 1.00 0.00 O ATOM 1074 OD2 ASP A 72 -10.280 9.791 -14.429 1.00 0.00 O ATOM 0 H ASP A 72 -8.824 8.526 -16.852 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.111 6.652 -16.652 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.350 9.670 -16.680 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.550 8.487 -16.200 1.00 0.00 H new ATOM 1079 N HIS A 73 -10.420 8.933 -18.958 1.00 0.00 N ATOM 1080 CA HIS A 73 -10.537 9.228 -20.381 1.00 0.00 C ATOM 1081 C HIS A 73 -9.361 10.075 -20.859 1.00 0.00 C ATOM 1082 O HIS A 73 -9.131 11.174 -20.358 1.00 0.00 O ATOM 1083 CB HIS A 73 -11.852 9.954 -20.667 1.00 0.00 C ATOM 1084 CG HIS A 73 -13.002 9.030 -20.926 1.00 0.00 C ATOM 1085 ND1 HIS A 73 -13.157 8.333 -22.106 1.00 0.00 N ATOM 1086 CD2 HIS A 73 -14.055 8.688 -20.147 1.00 0.00 C ATOM 1087 CE1 HIS A 73 -14.257 7.604 -22.042 1.00 0.00 C ATOM 1088 NE2 HIS A 73 -14.820 7.801 -20.864 1.00 0.00 N ATOM 0 H HIS A 73 -9.940 9.652 -18.416 1.00 0.00 H new ATOM 0 HA HIS A 73 -10.527 8.283 -20.924 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.095 10.595 -19.820 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.718 10.605 -21.531 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.256 9.046 -19.148 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.632 6.957 -22.821 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.683 7.365 -20.539 1.00 0.00 H new ATOM 1097 N ASN A 74 -8.618 9.553 -21.830 1.00 0.00 N ATOM 1098 CA ASN A 74 -7.465 10.261 -22.374 1.00 0.00 C ATOM 1099 C ASN A 74 -7.907 11.402 -23.285 1.00 0.00 C ATOM 1100 O ASN A 74 -8.003 11.239 -24.500 1.00 0.00 O ATOM 1101 CB ASN A 74 -6.566 9.295 -23.148 1.00 0.00 C ATOM 1102 CG ASN A 74 -5.221 9.905 -23.491 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -4.588 10.550 -22.655 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -4.778 9.704 -24.727 1.00 0.00 N ATOM 0 H ASN A 74 -8.794 8.643 -22.256 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.903 10.682 -21.541 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.412 8.393 -22.556 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.069 8.992 -24.066 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.880 10.091 -25.016 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.336 9.163 -25.387 1.00 0.00 H new ATOM 1111 N GLY A 75 -8.174 12.560 -22.688 1.00 0.00 N ATOM 1112 CA GLY A 75 -8.601 13.712 -23.459 1.00 0.00 C ATOM 1113 C GLY A 75 -9.923 13.479 -24.164 1.00 0.00 C ATOM 1114 O GLY A 75 -10.703 12.614 -23.765 1.00 0.00 O ATOM 0 H GLY A 75 -8.102 12.720 -21.683 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.692 14.574 -22.798 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.837 13.955 -24.197 1.00 0.00 H new ATOM 1118 N MET A 76 -10.177 14.253 -25.214 1.00 0.00 N ATOM 1119 CA MET A 76 -11.415 14.127 -25.975 1.00 0.00 C ATOM 1120 C MET A 76 -11.140 14.193 -27.474 1.00 0.00 C ATOM 1121 O MET A 76 -10.327 14.997 -27.930 1.00 0.00 O ATOM 1122 CB MET A 76 -12.399 15.228 -25.575 1.00 0.00 C ATOM 1123 CG MET A 76 -13.699 15.196 -26.362 1.00 0.00 C ATOM 1124 SD MET A 76 -15.018 16.131 -25.564 1.00 0.00 S ATOM 1125 CE MET A 76 -16.424 15.654 -26.564 1.00 0.00 C ATOM 0 H MET A 76 -9.542 14.974 -25.557 1.00 0.00 H new ATOM 0 HA MET A 76 -11.856 13.157 -25.747 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.624 15.134 -24.513 1.00 0.00 H new ATOM 0 HB3 MET A 76 -11.923 16.198 -25.715 1.00 0.00 H new ATOM 0 HG2 MET A 76 -13.525 15.600 -27.359 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.017 14.161 -26.488 1.00 0.00 H new ATOM 0 HE1 MET A 76 -17.320 16.152 -26.194 1.00 0.00 H new ATOM 0 HE2 MET A 76 -16.249 15.945 -27.600 1.00 0.00 H new ATOM 0 HE3 MET A 76 -16.560 14.574 -26.508 1.00 0.00 H new ATOM 1135 N ALA A 77 -11.823 13.344 -28.234 1.00 0.00 N ATOM 1136 CA ALA A 77 -11.654 13.308 -29.681 1.00 0.00 C ATOM 1137 C ALA A 77 -12.704 14.167 -30.378 1.00 0.00 C ATOM 1138 O ALA A 77 -13.761 13.674 -30.771 1.00 0.00 O ATOM 1139 CB ALA A 77 -11.723 11.874 -30.185 1.00 0.00 C ATOM 0 H ALA A 77 -12.499 12.672 -27.871 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.672 13.718 -29.918 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.595 11.862 -31.267 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.932 11.286 -29.720 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.692 11.445 -29.929 1.00 0.00 H new ATOM 1145 N ALA A 78 -12.406 15.453 -30.528 1.00 0.00 N ATOM 1146 CA ALA A 78 -13.324 16.379 -31.178 1.00 0.00 C ATOM 1147 C ALA A 78 -13.913 15.769 -32.446 1.00 0.00 C ATOM 1148 O ALA A 78 -15.119 15.843 -32.681 1.00 0.00 O ATOM 1149 CB ALA A 78 -12.615 17.687 -31.500 1.00 0.00 C ATOM 0 H ALA A 78 -11.535 15.877 -30.208 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.144 16.583 -30.489 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -13.313 18.369 -31.985 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -12.248 18.138 -30.578 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.776 17.491 -32.167 1.00 0.00 H new ATOM 1155 N LYS A 79 -13.054 15.167 -33.261 1.00 0.00 N ATOM 1156 CA LYS A 79 -13.488 14.543 -34.506 1.00 0.00 C ATOM 1157 C LYS A 79 -14.259 15.535 -35.371 1.00 0.00 C ATOM 1158 O LYS A 79 -15.277 15.189 -35.971 1.00 0.00 O ATOM 1159 CB LYS A 79 -14.360 13.321 -34.210 1.00 0.00 C ATOM 1160 CG LYS A 79 -14.384 12.304 -35.338 1.00 0.00 C ATOM 1161 CD LYS A 79 -13.078 11.531 -35.419 1.00 0.00 C ATOM 1162 CE LYS A 79 -12.902 10.876 -36.780 1.00 0.00 C ATOM 1163 NZ LYS A 79 -13.652 9.593 -36.879 1.00 0.00 N ATOM 0 H LYS A 79 -12.052 15.098 -33.082 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.601 14.224 -35.053 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.997 12.837 -33.303 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.379 13.652 -34.009 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.210 11.610 -35.186 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.566 12.813 -36.284 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.243 12.205 -35.227 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.057 10.768 -34.641 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.245 11.558 -37.558 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.843 10.692 -36.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.507 9.178 -37.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.308 8.933 -36.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.666 9.771 -36.732 1.00 0.00 H new ATOM 1177 N SER A 80 -13.768 16.768 -35.432 1.00 0.00 N ATOM 1178 CA SER A 80 -14.413 17.810 -36.222 1.00 0.00 C ATOM 1179 C SER A 80 -13.706 17.991 -37.562 1.00 0.00 C ATOM 1180 O SER A 80 -12.746 18.753 -37.673 1.00 0.00 O ATOM 1181 CB SER A 80 -14.419 19.133 -35.454 1.00 0.00 C ATOM 1182 OG SER A 80 -14.755 20.215 -36.304 1.00 0.00 O ATOM 0 H SER A 80 -12.925 17.070 -34.944 1.00 0.00 H new ATOM 0 HA SER A 80 -15.442 17.503 -36.411 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.133 19.077 -34.632 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.438 19.305 -35.012 1.00 0.00 H new ATOM 0 HG SER A 80 -14.753 21.049 -35.789 1.00 0.00 H new ATOM 1188 N GLY A 81 -14.188 17.284 -38.580 1.00 0.00 N ATOM 1189 CA GLY A 81 -13.591 17.380 -39.899 1.00 0.00 C ATOM 1190 C GLY A 81 -14.598 17.769 -40.964 1.00 0.00 C ATOM 1191 O GLY A 81 -15.132 16.924 -41.682 1.00 0.00 O ATOM 0 H GLY A 81 -14.981 16.646 -38.514 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.787 18.115 -39.878 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.141 16.423 -40.161 1.00 0.00 H new ATOM 1195 N PRO A 82 -14.871 19.077 -41.075 1.00 0.00 N ATOM 1196 CA PRO A 82 -15.823 19.606 -42.056 1.00 0.00 C ATOM 1197 C PRO A 82 -15.305 19.493 -43.486 1.00 0.00 C ATOM 1198 O PRO A 82 -14.115 19.678 -43.741 1.00 0.00 O ATOM 1199 CB PRO A 82 -15.967 21.076 -41.654 1.00 0.00 C ATOM 1200 CG PRO A 82 -14.694 21.403 -40.951 1.00 0.00 C ATOM 1201 CD PRO A 82 -14.272 20.141 -40.251 1.00 0.00 C ATOM 0 HA PRO A 82 -16.763 19.054 -42.050 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -16.112 21.713 -42.527 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -16.828 21.226 -41.003 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.931 21.731 -41.657 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.839 22.215 -40.238 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.187 20.051 -40.205 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -14.638 20.109 -39.225 1.00 0.00 H new ATOM 1209 N SER A 83 -16.206 19.189 -44.415 1.00 0.00 N ATOM 1210 CA SER A 83 -15.838 19.049 -45.819 1.00 0.00 C ATOM 1211 C SER A 83 -16.829 19.785 -46.716 1.00 0.00 C ATOM 1212 O SER A 83 -17.879 20.238 -46.260 1.00 0.00 O ATOM 1213 CB SER A 83 -15.782 17.570 -46.207 1.00 0.00 C ATOM 1214 OG SER A 83 -14.897 16.854 -45.364 1.00 0.00 O ATOM 0 H SER A 83 -17.195 19.035 -44.221 1.00 0.00 H new ATOM 0 HA SER A 83 -14.852 19.492 -45.957 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.780 17.136 -46.144 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.458 17.475 -47.244 1.00 0.00 H new ATOM 0 HG SER A 83 -14.881 15.911 -45.632 1.00 0.00 H new ATOM 1220 N SER A 84 -16.486 19.900 -47.995 1.00 0.00 N ATOM 1221 CA SER A 84 -17.342 20.584 -48.957 1.00 0.00 C ATOM 1222 C SER A 84 -18.715 19.923 -49.028 1.00 0.00 C ATOM 1223 O SER A 84 -19.744 20.598 -49.008 1.00 0.00 O ATOM 1224 CB SER A 84 -16.691 20.585 -50.341 1.00 0.00 C ATOM 1225 OG SER A 84 -15.821 21.692 -50.495 1.00 0.00 O ATOM 0 H SER A 84 -15.622 19.528 -48.389 1.00 0.00 H new ATOM 0 HA SER A 84 -17.471 21.614 -48.624 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.135 19.659 -50.485 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.463 20.616 -51.109 1.00 0.00 H new ATOM 0 HG SER A 84 -15.416 21.668 -51.387 1.00 0.00 H new ATOM 1231 N GLY A 85 -18.723 18.596 -49.113 1.00 0.00 N ATOM 1232 CA GLY A 85 -19.974 17.865 -49.186 1.00 0.00 C ATOM 1233 C GLY A 85 -21.059 18.483 -48.327 1.00 0.00 C ATOM 1234 O GLY A 85 -22.042 19.015 -48.844 1.00 0.00 O ATOM 0 H GLY A 85 -17.885 18.015 -49.133 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -20.311 17.831 -50.222 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.808 16.835 -48.870 1.00 0.00 H new TER 1238 GLY A 85