USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 512 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 29 GLN : amide:sc= 4.12 K(o=10,f=-5.7!) USER MOD Set 1.2: A 60 ASN : amide:sc= 2.09 K(o=10,f=-5.2!) USER MOD Set 1.3: A 65 SER OG : rot 68:sc= 1.95 USER MOD Set 1.4: A 67 SER OG : rot 66:sc= 1.97 USER MOD Set 2.1: A 41 GLN : amide:sc= 1.01 K(o=2.2,f=-2.4) USER MOD Set 2.2: A 42 TYR OH : rot 134:sc= 1.23 USER MOD Set 3.1: A 15 GLN : amide:sc= 0.479 K(o=0.98,f=-3.5) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.501 K(o=0.98,f=-2.8!) USER MOD Set 4.1: A 8 GLN : amide:sc= 0.977 K(o=2.1,f=1.1) USER MOD Set 4.2: A 12 CYS SG : rot 67:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.152 (180deg=-0.122) USER MOD Single : A 3 GLN : amide:sc= 2.01 K(o=2,f=-6!) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0.517 (180deg=0.509) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc=-0.00568 (180deg=-0.137) USER MOD Single : A 10 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0.103 (180deg=0.102) USER MOD Single : A 21 ASN : amide:sc= 1.25 K(o=1.2,f=-0.081) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 169:sc= -0.032 (180deg=-0.122) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.0208 X(o=0.021,f=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -0.614 (180deg=-0.711) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 94:sc= 0.979 USER MOD Single : A 51 SER OG : rot 102:sc= 1.27 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.113) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= 0.0301 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0354) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.614 23.288 1.263 1.00 0.00 N ATOM 2 CA MET A 1 10.990 22.389 2.345 1.00 0.00 C ATOM 3 C MET A 1 11.486 21.062 1.750 1.00 0.00 C ATOM 4 O MET A 1 11.105 20.741 0.617 1.00 0.00 O ATOM 5 CB MET A 1 9.772 22.167 3.260 1.00 0.00 C ATOM 6 CG MET A 1 9.465 23.399 4.120 1.00 0.00 C ATOM 7 SD MET A 1 10.745 23.793 5.346 1.00 0.00 S ATOM 8 CE MET A 1 10.028 25.295 6.060 1.00 0.00 C ATOM 0 H1 MET A 1 11.270 24.095 1.238 1.00 0.00 H new ATOM 0 H2 MET A 1 10.658 22.779 0.357 1.00 0.00 H new ATOM 0 H3 MET A 1 9.646 23.633 1.419 1.00 0.00 H new ATOM 0 HA MET A 1 11.795 22.822 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.901 21.924 2.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.957 21.310 3.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.329 24.260 3.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.519 23.239 4.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.688 25.678 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.910 26.048 5.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.054 25.064 6.491 1.00 0.00 H new ATOM 20 N PRO A 2 12.297 20.274 2.485 1.00 0.00 N ATOM 21 CA PRO A 2 12.814 18.993 2.017 1.00 0.00 C ATOM 22 C PRO A 2 11.670 17.989 1.845 1.00 0.00 C ATOM 23 O PRO A 2 11.096 17.506 2.821 1.00 0.00 O ATOM 24 CB PRO A 2 13.852 18.549 3.055 1.00 0.00 C ATOM 25 CG PRO A 2 13.412 19.261 4.333 1.00 0.00 C ATOM 26 CD PRO A 2 12.828 20.572 3.811 1.00 0.00 C ATOM 0 HA PRO A 2 13.284 19.067 1.036 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.855 17.466 3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.861 18.839 2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.672 18.681 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.250 19.433 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.044 20.941 4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.593 21.347 3.760 1.00 0.00 H new ATOM 34 N GLN A 3 11.314 17.716 0.588 1.00 0.00 N ATOM 35 CA GLN A 3 10.263 16.776 0.237 1.00 0.00 C ATOM 36 C GLN A 3 10.697 15.344 0.558 1.00 0.00 C ATOM 37 O GLN A 3 11.883 15.017 0.520 1.00 0.00 O ATOM 38 CB GLN A 3 9.899 16.930 -1.250 1.00 0.00 C ATOM 39 CG GLN A 3 9.397 18.342 -1.603 1.00 0.00 C ATOM 40 CD GLN A 3 8.278 18.807 -0.671 1.00 0.00 C ATOM 41 OE1 GLN A 3 7.206 18.210 -0.627 1.00 0.00 O ATOM 42 NE2 GLN A 3 8.520 19.835 0.130 1.00 0.00 N ATOM 0 H GLN A 3 11.757 18.151 -0.221 1.00 0.00 H new ATOM 0 HA GLN A 3 9.375 16.994 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.773 16.699 -1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.130 16.202 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.228 19.045 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.038 18.351 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.416 20.320 0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.810 20.141 0.796 1.00 0.00 H new ATOM 51 N LYS A 4 9.715 14.488 0.850 1.00 0.00 N ATOM 52 CA LYS A 4 9.887 13.112 1.275 1.00 0.00 C ATOM 53 C LYS A 4 8.898 12.210 0.534 1.00 0.00 C ATOM 54 O LYS A 4 8.018 12.694 -0.182 1.00 0.00 O ATOM 55 CB LYS A 4 9.667 13.037 2.799 1.00 0.00 C ATOM 56 CG LYS A 4 10.762 13.758 3.606 1.00 0.00 C ATOM 57 CD LYS A 4 10.390 13.875 5.089 1.00 0.00 C ATOM 58 CE LYS A 4 9.304 14.927 5.354 1.00 0.00 C ATOM 59 NZ LYS A 4 9.805 16.304 5.178 1.00 0.00 N ATOM 0 H LYS A 4 8.733 14.757 0.791 1.00 0.00 H new ATOM 0 HA LYS A 4 10.894 12.767 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.698 13.474 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.630 11.991 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.702 13.216 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.924 14.753 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.045 12.906 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.281 14.129 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.465 14.759 4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.925 14.807 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.052 16.981 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.621 16.459 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.096 16.444 4.189 1.00 0.00 H new ATOM 73 N ASP A 5 9.025 10.897 0.736 1.00 0.00 N ATOM 74 CA ASP A 5 8.053 9.897 0.334 1.00 0.00 C ATOM 75 C ASP A 5 7.925 8.904 1.499 1.00 0.00 C ATOM 76 O ASP A 5 8.622 7.891 1.502 1.00 0.00 O ATOM 77 CB ASP A 5 8.404 9.252 -1.016 1.00 0.00 C ATOM 78 CG ASP A 5 7.230 8.430 -1.552 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.524 7.773 -0.751 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.989 8.500 -2.775 1.00 0.00 O ATOM 0 H ASP A 5 9.839 10.494 1.201 1.00 0.00 H new ATOM 0 HA ASP A 5 7.079 10.348 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.669 10.027 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.279 8.612 -0.901 1.00 0.00 H new ATOM 85 N PRO A 6 7.076 9.192 2.508 1.00 0.00 N ATOM 86 CA PRO A 6 6.976 8.424 3.759 1.00 0.00 C ATOM 87 C PRO A 6 6.692 6.937 3.536 1.00 0.00 C ATOM 88 O PRO A 6 7.055 6.071 4.335 1.00 0.00 O ATOM 89 CB PRO A 6 5.793 9.037 4.514 1.00 0.00 C ATOM 90 CG PRO A 6 5.673 10.446 3.946 1.00 0.00 C ATOM 91 CD PRO A 6 6.055 10.228 2.491 1.00 0.00 C ATOM 0 HA PRO A 6 7.924 8.477 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.879 8.465 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.974 9.055 5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.663 10.844 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.343 11.146 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.192 9.919 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.435 11.146 2.043 1.00 0.00 H new ATOM 99 N CYS A 7 5.991 6.669 2.437 1.00 0.00 N ATOM 100 CA CYS A 7 5.392 5.409 2.108 1.00 0.00 C ATOM 101 C CYS A 7 6.234 4.551 1.183 1.00 0.00 C ATOM 102 O CYS A 7 5.965 3.356 1.048 1.00 0.00 O ATOM 103 CB CYS A 7 4.022 5.734 1.518 1.00 0.00 C ATOM 104 SG CYS A 7 2.827 6.363 2.734 1.00 0.00 S ATOM 0 H CYS A 7 5.825 7.376 1.721 1.00 0.00 H new ATOM 0 HA CYS A 7 5.304 4.794 3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.144 6.474 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.615 4.836 1.054 1.00 0.00 H new ATOM 106 N GLN A 8 7.274 5.121 0.576 1.00 0.00 N ATOM 107 CA GLN A 8 8.093 4.418 -0.387 1.00 0.00 C ATOM 108 C GLN A 8 8.794 3.201 0.245 1.00 0.00 C ATOM 109 O GLN A 8 9.075 2.226 -0.458 1.00 0.00 O ATOM 110 CB GLN A 8 9.009 5.470 -1.026 1.00 0.00 C ATOM 111 CG GLN A 8 10.144 4.910 -1.866 1.00 0.00 C ATOM 112 CD GLN A 8 9.659 4.239 -3.153 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.517 4.886 -4.183 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.376 2.946 -3.116 1.00 0.00 N ATOM 0 H GLN A 8 7.565 6.084 0.744 1.00 0.00 H new ATOM 0 HA GLN A 8 7.507 3.958 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.403 6.125 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.434 6.088 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.833 5.716 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.704 4.186 -1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.500 2.421 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.034 2.475 -3.953 1.00 0.00 H new ATOM 123 N LYS A 9 9.013 3.198 1.566 1.00 0.00 N ATOM 124 CA LYS A 9 9.540 2.038 2.272 1.00 0.00 C ATOM 125 C LYS A 9 8.498 0.917 2.343 1.00 0.00 C ATOM 126 O LYS A 9 8.802 -0.236 2.059 1.00 0.00 O ATOM 127 CB LYS A 9 9.999 2.438 3.678 1.00 0.00 C ATOM 128 CG LYS A 9 11.064 1.462 4.209 1.00 0.00 C ATOM 129 CD LYS A 9 10.942 1.239 5.724 1.00 0.00 C ATOM 130 CE LYS A 9 9.827 0.248 6.079 1.00 0.00 C ATOM 131 NZ LYS A 9 10.147 -1.134 5.672 1.00 0.00 N ATOM 0 H LYS A 9 8.828 4.000 2.168 1.00 0.00 H new ATOM 0 HA LYS A 9 10.399 1.661 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.405 3.449 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.144 2.451 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.968 0.506 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.057 1.850 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.891 0.869 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.747 2.193 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.651 0.275 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.901 0.560 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.478 -1.792 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.073 -1.217 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.116 -1.368 5.970 1.00 0.00 H new ATOM 145 N GLN A 10 7.256 1.255 2.692 1.00 0.00 N ATOM 146 CA GLN A 10 6.157 0.301 2.776 1.00 0.00 C ATOM 147 C GLN A 10 5.877 -0.298 1.388 1.00 0.00 C ATOM 148 O GLN A 10 5.705 -1.507 1.282 1.00 0.00 O ATOM 149 CB GLN A 10 4.915 0.961 3.405 1.00 0.00 C ATOM 150 CG GLN A 10 5.033 1.216 4.921 1.00 0.00 C ATOM 151 CD GLN A 10 6.084 2.261 5.299 1.00 0.00 C ATOM 152 OE1 GLN A 10 7.149 1.929 5.795 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.817 3.532 5.040 1.00 0.00 N ATOM 0 H GLN A 10 6.985 2.210 2.926 1.00 0.00 H new ATOM 0 HA GLN A 10 6.436 -0.523 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.728 1.910 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.048 0.326 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.063 1.538 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.275 0.277 5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.922 3.791 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.507 4.252 5.255 1.00 0.00 H new ATOM 162 N ALA A 11 5.922 0.506 0.318 1.00 0.00 N ATOM 163 CA ALA A 11 5.888 0.045 -1.071 1.00 0.00 C ATOM 164 C ALA A 11 6.946 -1.008 -1.376 1.00 0.00 C ATOM 165 O ALA A 11 6.663 -1.979 -2.076 1.00 0.00 O ATOM 166 CB ALA A 11 6.073 1.228 -2.015 1.00 0.00 C ATOM 0 H ALA A 11 5.985 1.521 0.399 1.00 0.00 H new ATOM 0 HA ALA A 11 4.913 -0.419 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.047 0.878 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.271 1.949 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.034 1.704 -1.818 1.00 0.00 H new ATOM 172 N CYS A 12 8.158 -0.836 -0.844 1.00 0.00 N ATOM 173 CA CYS A 12 9.192 -1.855 -0.975 1.00 0.00 C ATOM 174 C CYS A 12 8.717 -3.181 -0.369 1.00 0.00 C ATOM 175 O CYS A 12 8.846 -4.235 -0.995 1.00 0.00 O ATOM 176 CB CYS A 12 10.511 -1.407 -0.342 1.00 0.00 C ATOM 177 SG CYS A 12 11.180 0.056 -1.178 1.00 0.00 S ATOM 0 H CYS A 12 8.443 -0.006 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 12 9.378 -2.005 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.353 -1.185 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.235 -2.220 -0.392 1.00 0.00 H new ATOM 0 HG CYS A 12 10.395 1.071 -0.970 1.00 0.00 H new ATOM 182 N GLU A 13 8.130 -3.132 0.833 1.00 0.00 N ATOM 183 CA GLU A 13 7.602 -4.308 1.511 1.00 0.00 C ATOM 184 C GLU A 13 6.492 -4.997 0.718 1.00 0.00 C ATOM 185 O GLU A 13 6.364 -6.213 0.838 1.00 0.00 O ATOM 186 CB GLU A 13 7.099 -3.987 2.927 1.00 0.00 C ATOM 187 CG GLU A 13 8.156 -3.354 3.834 1.00 0.00 C ATOM 188 CD GLU A 13 9.465 -4.148 3.869 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.416 -5.321 4.299 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.494 -3.578 3.442 1.00 0.00 O ATOM 0 H GLU A 13 8.010 -2.267 1.360 1.00 0.00 H new ATOM 0 HA GLU A 13 8.444 -4.997 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.246 -3.312 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.740 -4.906 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.361 -2.340 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.758 -3.274 4.846 1.00 0.00 H new ATOM 197 N ILE A 14 5.733 -4.274 -0.118 1.00 0.00 N ATOM 198 CA ILE A 14 4.753 -4.880 -1.005 1.00 0.00 C ATOM 199 C ILE A 14 5.443 -5.882 -1.904 1.00 0.00 C ATOM 200 O ILE A 14 5.030 -7.039 -1.967 1.00 0.00 O ATOM 201 CB ILE A 14 4.030 -3.841 -1.869 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.410 -2.700 -1.074 1.00 0.00 C ATOM 203 CG2 ILE A 14 2.984 -4.502 -2.773 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.218 -3.070 -0.218 1.00 0.00 C ATOM 0 H ILE A 14 5.787 -3.258 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 14 4.005 -5.371 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 14 4.804 -3.390 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.178 -2.271 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.106 -1.919 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.488 -3.739 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.473 -5.220 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.245 -5.017 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.856 -2.184 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.425 -3.468 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.514 -3.825 0.511 1.00 0.00 H new ATOM 216 N GLN A 15 6.482 -5.414 -2.599 1.00 0.00 N ATOM 217 CA GLN A 15 7.222 -6.221 -3.540 1.00 0.00 C ATOM 218 C GLN A 15 7.776 -7.433 -2.817 1.00 0.00 C ATOM 219 O GLN A 15 7.458 -8.554 -3.199 1.00 0.00 O ATOM 220 CB GLN A 15 8.312 -5.405 -4.255 1.00 0.00 C ATOM 221 CG GLN A 15 7.749 -4.616 -5.448 1.00 0.00 C ATOM 222 CD GLN A 15 7.177 -5.514 -6.554 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.410 -6.720 -6.600 1.00 0.00 O ATOM 224 NE2 GLN A 15 6.394 -4.947 -7.462 1.00 0.00 N ATOM 0 H GLN A 15 6.827 -4.458 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 15 6.554 -6.566 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.771 -4.714 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.098 -6.075 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.967 -3.944 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.539 -3.993 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.205 -3.946 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.981 -5.512 -8.204 1.00 0.00 H new ATOM 233 N LYS A 16 8.531 -7.249 -1.733 1.00 0.00 N ATOM 234 CA LYS A 16 9.130 -8.418 -1.105 1.00 0.00 C ATOM 235 C LYS A 16 8.080 -9.340 -0.492 1.00 0.00 C ATOM 236 O LYS A 16 8.281 -10.552 -0.536 1.00 0.00 O ATOM 237 CB LYS A 16 10.140 -8.046 -0.011 1.00 0.00 C ATOM 238 CG LYS A 16 11.504 -7.555 -0.520 1.00 0.00 C ATOM 239 CD LYS A 16 11.608 -6.050 -0.806 1.00 0.00 C ATOM 240 CE LYS A 16 11.327 -5.165 0.416 1.00 0.00 C ATOM 241 NZ LYS A 16 12.249 -5.406 1.540 1.00 0.00 N ATOM 0 H LYS A 16 8.733 -6.351 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 16 9.650 -8.938 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.703 -7.269 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.299 -8.917 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.262 -7.819 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.746 -8.097 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.608 -5.829 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.906 -5.791 -1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.394 -4.118 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.304 -5.337 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.983 -4.801 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.195 -6.404 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.221 -5.183 1.246 1.00 0.00 H new ATOM 255 N CYS A 17 6.962 -8.814 0.025 1.00 0.00 N ATOM 256 CA CYS A 17 5.845 -9.664 0.411 1.00 0.00 C ATOM 257 C CYS A 17 5.410 -10.492 -0.790 1.00 0.00 C ATOM 258 O CYS A 17 5.225 -11.700 -0.662 1.00 0.00 O ATOM 259 CB CYS A 17 4.672 -8.839 0.943 1.00 0.00 C ATOM 260 SG CYS A 17 3.160 -9.801 1.259 1.00 0.00 S ATOM 0 H CYS A 17 6.814 -7.817 0.181 1.00 0.00 H new ATOM 0 HA CYS A 17 6.170 -10.324 1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.977 -8.350 1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.443 -8.050 0.226 1.00 0.00 H new ATOM 262 N LEU A 18 5.245 -9.856 -1.951 1.00 0.00 N ATOM 263 CA LEU A 18 4.848 -10.516 -3.176 1.00 0.00 C ATOM 264 C LEU A 18 5.852 -11.603 -3.551 1.00 0.00 C ATOM 265 O LEU A 18 5.437 -12.719 -3.859 1.00 0.00 O ATOM 266 CB LEU A 18 4.647 -9.481 -4.304 1.00 0.00 C ATOM 267 CG LEU A 18 3.167 -9.401 -4.709 1.00 0.00 C ATOM 268 CD1 LEU A 18 2.437 -8.356 -3.862 1.00 0.00 C ATOM 269 CD2 LEU A 18 3.012 -9.002 -6.183 1.00 0.00 C ATOM 0 H LEU A 18 5.388 -8.852 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 18 3.889 -11.011 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.992 -8.502 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.252 -9.755 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 18 2.739 -10.391 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.390 -8.312 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.502 -8.631 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.898 -7.380 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.953 -8.954 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.469 -8.026 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.504 -9.742 -6.814 1.00 0.00 H new ATOM 281 N GLN A 19 7.155 -11.313 -3.504 1.00 0.00 N ATOM 282 CA GLN A 19 8.213 -12.294 -3.705 1.00 0.00 C ATOM 283 C GLN A 19 8.093 -13.452 -2.712 1.00 0.00 C ATOM 284 O GLN A 19 8.145 -14.608 -3.129 1.00 0.00 O ATOM 285 CB GLN A 19 9.596 -11.618 -3.695 1.00 0.00 C ATOM 286 CG GLN A 19 9.972 -10.879 -5.000 1.00 0.00 C ATOM 287 CD GLN A 19 9.433 -9.450 -5.180 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.101 -8.503 -4.780 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.279 -9.238 -5.820 1.00 0.00 N ATOM 0 H GLN A 19 7.505 -10.373 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 19 8.096 -12.737 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.630 -10.907 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.353 -12.376 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.059 -10.840 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.624 -11.480 -5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.727 -10.029 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.951 -8.285 -5.977 1.00 0.00 H new ATOM 298 N ALA A 20 7.837 -13.163 -1.435 1.00 0.00 N ATOM 299 CA ALA A 20 7.592 -14.163 -0.407 1.00 0.00 C ATOM 300 C ALA A 20 6.282 -14.946 -0.614 1.00 0.00 C ATOM 301 O ALA A 20 6.087 -15.959 0.055 1.00 0.00 O ATOM 302 CB ALA A 20 7.616 -13.480 0.969 1.00 0.00 C ATOM 0 H ALA A 20 7.794 -12.206 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 20 8.387 -14.906 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.433 -14.222 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.591 -13.019 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.841 -12.714 1.009 1.00 0.00 H new ATOM 308 N ASN A 21 5.391 -14.513 -1.521 1.00 0.00 N ATOM 309 CA ASN A 21 4.053 -15.073 -1.700 1.00 0.00 C ATOM 310 C ASN A 21 3.777 -15.491 -3.148 1.00 0.00 C ATOM 311 O ASN A 21 2.639 -15.825 -3.463 1.00 0.00 O ATOM 312 CB ASN A 21 3.010 -14.082 -1.165 1.00 0.00 C ATOM 313 CG ASN A 21 2.968 -14.121 0.358 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.311 -14.970 0.946 1.00 0.00 O ATOM 315 ND2 ASN A 21 3.677 -13.224 1.022 1.00 0.00 N ATOM 0 H ASN A 21 5.592 -13.746 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 21 3.985 -15.995 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.251 -13.074 -1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.027 -14.326 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.683 -13.232 2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.218 -12.524 0.514 1.00 0.00 H new ATOM 322 N SER A 22 4.785 -15.499 -4.036 1.00 0.00 N ATOM 323 CA SER A 22 4.631 -15.885 -5.442 1.00 0.00 C ATOM 324 C SER A 22 3.596 -15.008 -6.141 1.00 0.00 C ATOM 325 O SER A 22 2.776 -15.462 -6.936 1.00 0.00 O ATOM 326 CB SER A 22 4.317 -17.373 -5.587 1.00 0.00 C ATOM 327 OG SER A 22 5.250 -18.146 -4.857 1.00 0.00 O ATOM 0 H SER A 22 5.739 -15.234 -3.791 1.00 0.00 H new ATOM 0 HA SER A 22 5.586 -15.718 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.308 -17.575 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.344 -17.656 -6.639 1.00 0.00 H new ATOM 0 HG SER A 22 5.036 -19.097 -4.957 1.00 0.00 H new ATOM 333 N TYR A 23 3.655 -13.720 -5.808 1.00 0.00 N ATOM 334 CA TYR A 23 2.988 -12.608 -6.444 1.00 0.00 C ATOM 335 C TYR A 23 1.484 -12.544 -6.206 1.00 0.00 C ATOM 336 O TYR A 23 0.773 -11.738 -6.808 1.00 0.00 O ATOM 337 CB TYR A 23 3.468 -12.515 -7.893 1.00 0.00 C ATOM 338 CG TYR A 23 4.983 -12.612 -8.022 1.00 0.00 C ATOM 339 CD1 TYR A 23 5.804 -12.023 -7.044 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.582 -13.396 -9.025 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.187 -12.142 -7.071 1.00 0.00 C ATOM 342 CE2 TYR A 23 6.979 -13.561 -9.046 1.00 0.00 C ATOM 343 CZ TYR A 23 7.796 -12.920 -8.084 1.00 0.00 C ATOM 344 OH TYR A 23 9.147 -13.096 -8.123 1.00 0.00 O ATOM 0 H TYR A 23 4.222 -13.412 -5.018 1.00 0.00 H new ATOM 0 HA TYR A 23 3.282 -11.679 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.007 -13.313 -8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.131 -11.571 -8.322 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.344 -11.460 -6.246 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.970 -13.871 -9.778 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.792 -11.646 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.433 -14.183 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 23 9.381 -13.661 -8.889 1.00 0.00 H new ATOM 354 N MET A 24 1.020 -13.339 -5.243 1.00 0.00 N ATOM 355 CA MET A 24 -0.321 -13.308 -4.717 1.00 0.00 C ATOM 356 C MET A 24 -0.536 -12.024 -3.913 1.00 0.00 C ATOM 357 O MET A 24 -0.399 -12.009 -2.689 1.00 0.00 O ATOM 358 CB MET A 24 -0.589 -14.578 -3.895 1.00 0.00 C ATOM 359 CG MET A 24 -0.429 -15.833 -4.760 1.00 0.00 C ATOM 360 SD MET A 24 -1.139 -17.340 -4.042 1.00 0.00 S ATOM 361 CE MET A 24 0.206 -17.820 -2.924 1.00 0.00 C ATOM 0 H MET A 24 1.602 -14.048 -4.797 1.00 0.00 H new ATOM 0 HA MET A 24 -1.044 -13.297 -5.533 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.100 -14.622 -3.052 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.597 -14.542 -3.481 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.896 -15.653 -5.728 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.633 -15.999 -4.944 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.138 -18.614 -2.261 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.054 -18.177 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.511 -16.958 -2.331 1.00 0.00 H new ATOM 371 N GLU A 25 -0.935 -10.943 -4.594 1.00 0.00 N ATOM 372 CA GLU A 25 -1.381 -9.716 -3.948 1.00 0.00 C ATOM 373 C GLU A 25 -2.545 -9.976 -2.974 1.00 0.00 C ATOM 374 O GLU A 25 -2.736 -9.202 -2.041 1.00 0.00 O ATOM 375 CB GLU A 25 -1.727 -8.663 -5.016 1.00 0.00 C ATOM 376 CG GLU A 25 -1.628 -7.261 -4.415 1.00 0.00 C ATOM 377 CD GLU A 25 -1.826 -6.150 -5.445 1.00 0.00 C ATOM 378 OE1 GLU A 25 -0.869 -5.898 -6.205 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.934 -5.565 -5.459 1.00 0.00 O ATOM 0 H GLU A 25 -0.955 -10.901 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.567 -9.322 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.047 -8.754 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.734 -8.835 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.375 -7.156 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.652 -7.142 -3.945 1.00 0.00 H new ATOM 386 N SER A 26 -3.262 -11.095 -3.143 1.00 0.00 N ATOM 387 CA SER A 26 -4.254 -11.659 -2.238 1.00 0.00 C ATOM 388 C SER A 26 -3.689 -11.964 -0.842 1.00 0.00 C ATOM 389 O SER A 26 -4.382 -11.766 0.152 1.00 0.00 O ATOM 390 CB SER A 26 -4.777 -12.960 -2.857 1.00 0.00 C ATOM 391 OG SER A 26 -5.089 -12.767 -4.225 1.00 0.00 O ATOM 0 H SER A 26 -3.150 -11.667 -3.980 1.00 0.00 H new ATOM 0 HA SER A 26 -5.045 -10.921 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.028 -13.745 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.664 -13.295 -2.319 1.00 0.00 H new ATOM 0 HG SER A 26 -5.420 -13.607 -4.607 1.00 0.00 H new ATOM 397 N LYS A 27 -2.438 -12.434 -0.754 1.00 0.00 N ATOM 398 CA LYS A 27 -1.724 -12.634 0.499 1.00 0.00 C ATOM 399 C LYS A 27 -1.271 -11.278 1.026 1.00 0.00 C ATOM 400 O LYS A 27 -1.501 -10.925 2.181 1.00 0.00 O ATOM 401 CB LYS A 27 -0.500 -13.541 0.284 1.00 0.00 C ATOM 402 CG LYS A 27 -0.826 -14.970 -0.184 1.00 0.00 C ATOM 403 CD LYS A 27 -1.055 -15.926 0.989 1.00 0.00 C ATOM 404 CE LYS A 27 -1.443 -17.308 0.461 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.639 -18.269 1.561 1.00 0.00 N ATOM 0 H LYS A 27 -1.888 -12.689 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.386 -13.115 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.155 -13.074 -0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.059 -13.599 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.716 -14.950 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.008 -15.344 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.151 -15.998 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.842 -15.540 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.359 -17.231 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.666 -17.674 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.901 -19.196 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.757 -18.360 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.398 -17.930 2.187 1.00 0.00 H new ATOM 419 N CYS A 28 -0.654 -10.490 0.142 1.00 0.00 N ATOM 420 CA CYS A 28 -0.098 -9.184 0.429 1.00 0.00 C ATOM 421 C CYS A 28 -1.172 -8.116 0.666 1.00 0.00 C ATOM 422 O CYS A 28 -0.821 -6.969 0.901 1.00 0.00 O ATOM 423 CB CYS A 28 0.915 -8.895 -0.676 1.00 0.00 C ATOM 424 SG CYS A 28 2.271 -10.101 -0.570 1.00 0.00 S ATOM 0 H CYS A 28 -0.528 -10.765 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 28 0.426 -9.164 1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.434 -8.955 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.304 -7.882 -0.574 1.00 0.00 H new ATOM 426 N GLN A 29 -2.465 -8.464 0.727 1.00 0.00 N ATOM 427 CA GLN A 29 -3.520 -7.545 1.171 1.00 0.00 C ATOM 428 C GLN A 29 -3.191 -6.908 2.528 1.00 0.00 C ATOM 429 O GLN A 29 -3.537 -5.744 2.742 1.00 0.00 O ATOM 430 CB GLN A 29 -4.887 -8.242 1.255 1.00 0.00 C ATOM 431 CG GLN A 29 -5.450 -8.710 -0.091 1.00 0.00 C ATOM 432 CD GLN A 29 -5.696 -7.567 -1.067 1.00 0.00 C ATOM 433 OE1 GLN A 29 -6.786 -6.993 -1.138 1.00 0.00 O ATOM 434 NE2 GLN A 29 -4.704 -7.233 -1.871 1.00 0.00 N ATOM 0 H GLN A 29 -2.808 -9.390 0.470 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.572 -6.759 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.800 -9.104 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.601 -7.558 1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.756 -9.421 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.386 -9.242 0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.808 -7.715 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.834 -6.493 -2.561 1.00 0.00 H new ATOM 443 N ALA A 30 -2.486 -7.639 3.406 1.00 0.00 N ATOM 444 CA ALA A 30 -1.963 -7.150 4.674 1.00 0.00 C ATOM 445 C ALA A 30 -1.044 -5.952 4.478 1.00 0.00 C ATOM 446 O ALA A 30 -1.237 -4.898 5.077 1.00 0.00 O ATOM 447 CB ALA A 30 -1.161 -8.261 5.367 1.00 0.00 C ATOM 0 H ALA A 30 -2.261 -8.620 3.239 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.815 -6.847 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.771 -7.891 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.810 -9.118 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.332 -8.564 4.728 1.00 0.00 H new ATOM 453 N VAL A 31 -0.012 -6.142 3.660 1.00 0.00 N ATOM 454 CA VAL A 31 1.026 -5.168 3.432 1.00 0.00 C ATOM 455 C VAL A 31 0.503 -4.050 2.524 1.00 0.00 C ATOM 456 O VAL A 31 0.905 -2.901 2.705 1.00 0.00 O ATOM 457 CB VAL A 31 2.270 -5.917 2.936 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.086 -6.508 1.548 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.542 -5.098 2.963 1.00 0.00 C ATOM 0 H VAL A 31 0.119 -7.003 3.129 1.00 0.00 H new ATOM 0 HA VAL A 31 1.327 -4.647 4.341 1.00 0.00 H new ATOM 0 HB VAL A 31 2.385 -6.725 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.997 -7.026 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.255 -7.214 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.873 -5.709 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.372 -5.703 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.424 -4.221 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.748 -4.780 3.985 1.00 0.00 H new ATOM 469 N ILE A 32 -0.456 -4.337 1.623 1.00 0.00 N ATOM 470 CA ILE A 32 -1.185 -3.308 0.909 1.00 0.00 C ATOM 471 C ILE A 32 -1.847 -2.454 1.982 1.00 0.00 C ATOM 472 O ILE A 32 -1.650 -1.247 1.979 1.00 0.00 O ATOM 473 CB ILE A 32 -2.173 -3.858 -0.159 1.00 0.00 C ATOM 474 CG1 ILE A 32 -1.506 -4.089 -1.538 1.00 0.00 C ATOM 475 CG2 ILE A 32 -3.369 -2.916 -0.435 1.00 0.00 C ATOM 476 CD1 ILE A 32 -0.579 -5.297 -1.640 1.00 0.00 C ATOM 0 H ILE A 32 -0.735 -5.288 1.381 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.509 -2.708 0.300 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.511 -4.796 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.292 -4.195 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.937 -3.196 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.017 -3.362 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.934 -2.766 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.000 -1.956 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.171 -5.358 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.236 -5.191 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.140 -6.205 -1.420 1.00 0.00 H new ATOM 488 N GLN A 33 -2.539 -3.059 2.954 1.00 0.00 N ATOM 489 CA GLN A 33 -3.159 -2.315 4.031 1.00 0.00 C ATOM 490 C GLN A 33 -2.154 -1.513 4.849 1.00 0.00 C ATOM 491 O GLN A 33 -2.537 -0.530 5.484 1.00 0.00 O ATOM 492 CB GLN A 33 -3.903 -3.270 4.975 1.00 0.00 C ATOM 493 CG GLN A 33 -5.349 -2.824 5.053 1.00 0.00 C ATOM 494 CD GLN A 33 -6.165 -3.049 3.766 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.235 -2.476 3.607 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.723 -3.878 2.821 1.00 0.00 N ATOM 0 H GLN A 33 -2.678 -4.068 3.007 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.851 -1.615 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.840 -4.294 4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.447 -3.258 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.835 -3.355 5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.374 -1.763 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.833 -4.361 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.275 -4.029 1.977 1.00 0.00 H new ATOM 505 N GLU A 34 -0.875 -1.895 4.841 1.00 0.00 N ATOM 506 CA GLU A 34 0.106 -1.077 5.485 1.00 0.00 C ATOM 507 C GLU A 34 0.441 0.144 4.614 1.00 0.00 C ATOM 508 O GLU A 34 0.534 1.252 5.144 1.00 0.00 O ATOM 509 CB GLU A 34 1.322 -1.922 5.877 1.00 0.00 C ATOM 510 CG GLU A 34 2.469 -1.012 6.292 1.00 0.00 C ATOM 511 CD GLU A 34 3.588 -1.788 6.982 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.504 -1.912 8.224 1.00 0.00 O ATOM 513 OE2 GLU A 34 4.497 -2.247 6.257 1.00 0.00 O ATOM 0 H GLU A 34 -0.519 -2.745 4.404 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.293 -0.675 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.062 -2.592 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.627 -2.548 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.867 -0.505 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.095 -0.239 6.964 1.00 0.00 H new ATOM 520 N LEU A 35 0.577 -0.011 3.288 1.00 0.00 N ATOM 521 CA LEU A 35 0.687 1.136 2.400 1.00 0.00 C ATOM 522 C LEU A 35 -0.584 1.982 2.452 1.00 0.00 C ATOM 523 O LEU A 35 -0.475 3.191 2.322 1.00 0.00 O ATOM 524 CB LEU A 35 1.036 0.763 0.950 1.00 0.00 C ATOM 525 CG LEU A 35 2.426 1.101 0.416 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.419 0.943 -1.108 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.821 2.550 0.686 1.00 0.00 C ATOM 0 H LEU A 35 0.612 -0.916 2.818 1.00 0.00 H new ATOM 0 HA LEU A 35 1.527 1.725 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.894 -0.312 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.307 1.247 0.300 1.00 0.00 H new ATOM 0 HG LEU A 35 3.127 0.433 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.406 1.182 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.163 -0.085 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.682 1.620 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.818 2.736 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.106 3.218 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.822 2.733 1.761 1.00 0.00 H new ATOM 539 N ARG A 36 -1.763 1.395 2.694 1.00 0.00 N ATOM 540 CA ARG A 36 -3.026 2.113 2.843 1.00 0.00 C ATOM 541 C ARG A 36 -2.914 3.032 4.052 1.00 0.00 C ATOM 542 O ARG A 36 -3.096 4.244 3.931 1.00 0.00 O ATOM 543 CB ARG A 36 -4.195 1.148 3.099 1.00 0.00 C ATOM 544 CG ARG A 36 -4.686 0.165 2.052 1.00 0.00 C ATOM 545 CD ARG A 36 -5.353 0.831 0.875 1.00 0.00 C ATOM 546 NE ARG A 36 -5.583 -0.138 -0.211 1.00 0.00 N ATOM 547 CZ ARG A 36 -6.509 -1.108 -0.191 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.501 -1.064 0.696 1.00 0.00 N ATOM 549 NH2 ARG A 36 -6.427 -2.129 -1.043 1.00 0.00 N ATOM 0 H ARG A 36 -1.863 0.385 2.793 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.217 2.666 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.927 0.560 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.052 1.763 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.843 -0.427 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.389 -0.528 2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.302 1.267 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.730 1.649 0.513 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.994 -0.066 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.557 -0.292 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.205 -1.802 0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.659 -2.174 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.132 -2.865 -1.026 1.00 0.00 H new ATOM 563 N LYS A 37 -2.621 2.441 5.219 1.00 0.00 N ATOM 564 CA LYS A 37 -2.590 3.193 6.473 1.00 0.00 C ATOM 565 C LYS A 37 -1.404 4.160 6.517 1.00 0.00 C ATOM 566 O LYS A 37 -1.444 5.163 7.234 1.00 0.00 O ATOM 567 CB LYS A 37 -2.691 2.264 7.693 1.00 0.00 C ATOM 568 CG LYS A 37 -1.371 1.634 8.161 1.00 0.00 C ATOM 569 CD LYS A 37 -1.667 0.567 9.222 1.00 0.00 C ATOM 570 CE LYS A 37 -0.411 0.080 9.952 1.00 0.00 C ATOM 571 NZ LYS A 37 0.481 -0.694 9.073 1.00 0.00 N ATOM 0 H LYS A 37 -2.404 1.449 5.317 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.479 3.822 6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.117 2.829 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.392 1.463 7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.848 1.187 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.715 2.401 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.369 0.973 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.156 -0.283 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.130 0.938 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.703 -0.536 10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.388 -0.857 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.039 -1.608 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.647 -0.164 8.194 1.00 0.00 H new ATOM 585 N CYS A 38 -0.361 3.876 5.730 1.00 0.00 N ATOM 586 CA CYS A 38 0.687 4.825 5.462 1.00 0.00 C ATOM 587 C CYS A 38 0.114 5.955 4.619 1.00 0.00 C ATOM 588 O CYS A 38 0.250 7.105 4.984 1.00 0.00 O ATOM 589 CB CYS A 38 1.866 4.172 4.741 1.00 0.00 C ATOM 590 SG CYS A 38 3.211 5.360 4.483 1.00 0.00 S ATOM 0 H CYS A 38 -0.234 2.976 5.267 1.00 0.00 H new ATOM 0 HA CYS A 38 1.063 5.213 6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.230 3.326 5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.536 3.777 3.780 1.00 0.00 H new ATOM 592 N CYS A 39 -0.511 5.653 3.486 1.00 0.00 N ATOM 593 CA CYS A 39 -0.910 6.621 2.478 1.00 0.00 C ATOM 594 C CYS A 39 -1.901 7.642 3.000 1.00 0.00 C ATOM 595 O CYS A 39 -1.695 8.849 2.867 1.00 0.00 O ATOM 596 CB CYS A 39 -1.485 5.852 1.305 1.00 0.00 C ATOM 597 SG CYS A 39 -2.058 6.798 -0.116 1.00 0.00 S ATOM 0 H CYS A 39 -0.761 4.695 3.239 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.036 7.197 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.725 5.152 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.322 5.257 1.672 1.00 0.00 H new ATOM 599 N ALA A 40 -2.961 7.144 3.630 1.00 0.00 N ATOM 600 CA ALA A 40 -4.085 7.945 4.088 1.00 0.00 C ATOM 601 C ALA A 40 -3.710 8.898 5.237 1.00 0.00 C ATOM 602 O ALA A 40 -4.560 9.632 5.734 1.00 0.00 O ATOM 603 CB ALA A 40 -5.227 7.006 4.494 1.00 0.00 C ATOM 0 H ALA A 40 -3.062 6.151 3.839 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.405 8.586 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.077 7.595 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.527 6.405 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.890 6.349 5.296 1.00 0.00 H new ATOM 609 N GLN A 41 -2.446 8.883 5.665 1.00 0.00 N ATOM 610 CA GLN A 41 -1.871 9.699 6.710 1.00 0.00 C ATOM 611 C GLN A 41 -1.431 11.067 6.173 1.00 0.00 C ATOM 612 O GLN A 41 -1.036 11.941 6.943 1.00 0.00 O ATOM 613 CB GLN A 41 -0.646 8.904 7.145 1.00 0.00 C ATOM 614 CG GLN A 41 -0.101 9.078 8.544 1.00 0.00 C ATOM 615 CD GLN A 41 1.032 8.072 8.775 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.196 8.448 8.912 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.741 6.773 8.766 1.00 0.00 N ATOM 0 H GLN A 41 -1.758 8.252 5.255 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.579 9.898 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.880 7.847 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.160 9.140 6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.267 10.095 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.893 8.925 9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.226 6.468 8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.485 6.083 8.873 1.00 0.00 H new ATOM 626 N TYR A 42 -1.463 11.233 4.845 1.00 0.00 N ATOM 627 CA TYR A 42 -0.859 12.302 4.095 1.00 0.00 C ATOM 628 C TYR A 42 -1.806 12.803 2.999 1.00 0.00 C ATOM 629 O TYR A 42 -2.640 12.034 2.518 1.00 0.00 O ATOM 630 CB TYR A 42 0.389 11.730 3.432 1.00 0.00 C ATOM 631 CG TYR A 42 1.427 11.214 4.412 1.00 0.00 C ATOM 632 CD1 TYR A 42 2.213 12.083 5.193 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.507 9.835 4.639 1.00 0.00 C ATOM 634 CE1 TYR A 42 3.085 11.568 6.170 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.392 9.304 5.590 1.00 0.00 C ATOM 636 CZ TYR A 42 3.164 10.174 6.389 1.00 0.00 C ATOM 637 OH TYR A 42 3.888 9.684 7.431 1.00 0.00 O ATOM 0 H TYR A 42 -1.948 10.570 4.240 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.628 13.136 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.095 10.917 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.843 12.501 2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.146 13.150 5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.876 9.167 4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.696 12.240 6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.482 8.234 5.710 1.00 0.00 H new ATOM 0 HH TYR A 42 3.367 8.997 7.897 1.00 0.00 H new ATOM 647 N PRO A 43 -1.657 14.058 2.538 1.00 0.00 N ATOM 648 CA PRO A 43 -2.297 14.508 1.309 1.00 0.00 C ATOM 649 C PRO A 43 -1.554 13.751 0.197 1.00 0.00 C ATOM 650 O PRO A 43 -0.405 14.079 -0.077 1.00 0.00 O ATOM 651 CB PRO A 43 -2.097 16.027 1.282 1.00 0.00 C ATOM 652 CG PRO A 43 -0.822 16.254 2.101 1.00 0.00 C ATOM 653 CD PRO A 43 -0.807 15.098 3.104 1.00 0.00 C ATOM 0 HA PRO A 43 -3.365 14.316 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.986 16.396 0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.949 16.548 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.065 16.243 1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.840 17.219 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.207 14.730 3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.181 15.421 4.076 1.00 0.00 H new ATOM 661 N LYS A 44 -2.177 12.731 -0.412 1.00 0.00 N ATOM 662 CA LYS A 44 -1.521 11.707 -1.237 1.00 0.00 C ATOM 663 C LYS A 44 -0.386 12.132 -2.177 1.00 0.00 C ATOM 664 O LYS A 44 0.577 11.378 -2.282 1.00 0.00 O ATOM 665 CB LYS A 44 -2.567 10.834 -1.944 1.00 0.00 C ATOM 666 CG LYS A 44 -3.361 11.563 -3.038 1.00 0.00 C ATOM 667 CD LYS A 44 -4.459 10.634 -3.562 1.00 0.00 C ATOM 668 CE LYS A 44 -5.224 11.294 -4.710 1.00 0.00 C ATOM 669 NZ LYS A 44 -6.266 10.400 -5.245 1.00 0.00 N ATOM 0 H LYS A 44 -3.185 12.592 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.964 11.125 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.066 9.973 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.265 10.449 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.801 12.477 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.698 11.858 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.018 9.698 -3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.148 10.386 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.681 12.220 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.529 11.562 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.767 10.877 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.826 9.527 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.942 10.164 -4.491 1.00 0.00 H new ATOM 683 N GLY A 45 -0.416 13.330 -2.776 1.00 0.00 N ATOM 684 CA GLY A 45 0.699 13.874 -3.560 1.00 0.00 C ATOM 685 C GLY A 45 2.037 13.934 -2.798 1.00 0.00 C ATOM 686 O GLY A 45 3.093 13.982 -3.423 1.00 0.00 O ATOM 0 H GLY A 45 -1.222 13.953 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.830 13.265 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.438 14.879 -3.893 1.00 0.00 H new ATOM 690 N ARG A 46 2.005 13.873 -1.460 1.00 0.00 N ATOM 691 CA ARG A 46 3.123 13.692 -0.541 1.00 0.00 C ATOM 692 C ARG A 46 3.906 12.400 -0.812 1.00 0.00 C ATOM 693 O ARG A 46 5.018 12.240 -0.302 1.00 0.00 O ATOM 694 CB ARG A 46 2.481 13.669 0.855 1.00 0.00 C ATOM 695 CG ARG A 46 3.352 13.363 2.075 1.00 0.00 C ATOM 696 CD ARG A 46 4.368 14.433 2.428 1.00 0.00 C ATOM 697 NE ARG A 46 5.487 14.401 1.472 1.00 0.00 N ATOM 698 CZ ARG A 46 6.050 15.435 0.841 1.00 0.00 C ATOM 699 NH1 ARG A 46 5.766 16.695 1.156 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.893 15.208 -0.161 1.00 0.00 N ATOM 0 H ARG A 46 1.121 13.956 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 46 3.857 14.490 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.018 14.642 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.677 12.933 0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.702 13.204 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.881 12.426 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.894 15.415 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.739 14.274 3.440 1.00 0.00 H new ATOM 0 HE ARG A 46 5.878 13.482 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.099 16.897 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.215 17.460 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.105 14.251 -0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.328 15.991 -0.649 1.00 0.00 H new ATOM 714 N SER A 47 3.348 11.457 -1.578 1.00 0.00 N ATOM 715 CA SER A 47 4.017 10.231 -1.927 1.00 0.00 C ATOM 716 C SER A 47 3.591 9.732 -3.300 1.00 0.00 C ATOM 717 O SER A 47 2.414 9.704 -3.665 1.00 0.00 O ATOM 718 CB SER A 47 3.781 9.220 -0.811 1.00 0.00 C ATOM 719 OG SER A 47 3.978 7.890 -1.232 1.00 0.00 O ATOM 0 H SER A 47 2.410 11.538 -1.970 1.00 0.00 H new ATOM 0 HA SER A 47 5.091 10.398 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.453 9.437 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.764 9.331 -0.435 1.00 0.00 H new ATOM 0 HG SER A 47 4.899 7.618 -1.036 1.00 0.00 H new ATOM 725 N VAL A 48 4.596 9.281 -4.044 1.00 0.00 N ATOM 726 CA VAL A 48 4.438 8.705 -5.363 1.00 0.00 C ATOM 727 C VAL A 48 3.711 7.370 -5.229 1.00 0.00 C ATOM 728 O VAL A 48 2.684 7.159 -5.869 1.00 0.00 O ATOM 729 CB VAL A 48 5.797 8.545 -6.076 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.530 8.177 -7.541 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.658 9.820 -6.014 1.00 0.00 C ATOM 0 H VAL A 48 5.567 9.310 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 48 3.844 9.376 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 48 6.357 7.763 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.478 8.059 -8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.972 7.242 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.950 8.969 -8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.601 9.647 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.126 10.642 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.857 10.074 -4.973 1.00 0.00 H new ATOM 741 N VAL A 49 4.220 6.475 -4.377 1.00 0.00 N ATOM 742 CA VAL A 49 3.646 5.150 -4.204 1.00 0.00 C ATOM 743 C VAL A 49 2.197 5.260 -3.714 1.00 0.00 C ATOM 744 O VAL A 49 1.339 4.576 -4.255 1.00 0.00 O ATOM 745 CB VAL A 49 4.530 4.277 -3.292 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.991 4.238 -3.761 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.563 4.772 -1.848 1.00 0.00 C ATOM 0 H VAL A 49 5.037 6.653 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 49 3.618 4.643 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 49 4.073 3.289 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.573 3.610 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.038 3.828 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.400 5.248 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.201 4.118 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.958 5.787 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.553 4.764 -1.438 1.00 0.00 H new ATOM 757 N CYS A 50 1.913 6.166 -2.765 1.00 0.00 N ATOM 758 CA CYS A 50 0.591 6.441 -2.211 1.00 0.00 C ATOM 759 C CYS A 50 -0.333 7.011 -3.297 1.00 0.00 C ATOM 760 O CYS A 50 -1.517 6.669 -3.355 1.00 0.00 O ATOM 761 CB CYS A 50 0.777 7.468 -1.092 1.00 0.00 C ATOM 762 SG CYS A 50 -0.679 8.263 -0.375 1.00 0.00 S ATOM 0 H CYS A 50 2.637 6.751 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 50 0.135 5.527 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.315 6.976 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.426 8.256 -1.474 1.00 0.00 H new ATOM 764 N SER A 51 0.215 7.832 -4.203 1.00 0.00 N ATOM 765 CA SER A 51 -0.506 8.307 -5.373 1.00 0.00 C ATOM 766 C SER A 51 -0.820 7.145 -6.325 1.00 0.00 C ATOM 767 O SER A 51 -1.840 7.193 -7.011 1.00 0.00 O ATOM 768 CB SER A 51 0.281 9.421 -6.073 1.00 0.00 C ATOM 769 OG SER A 51 0.511 10.504 -5.192 1.00 0.00 O ATOM 0 H SER A 51 1.171 8.181 -4.138 1.00 0.00 H new ATOM 0 HA SER A 51 -1.458 8.730 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.233 9.030 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.270 9.768 -6.947 1.00 0.00 H new ATOM 0 HG SER A 51 1.431 10.464 -4.858 1.00 0.00 H new ATOM 775 N GLY A 52 -0.009 6.074 -6.322 1.00 0.00 N ATOM 776 CA GLY A 52 -0.363 4.826 -7.005 1.00 0.00 C ATOM 777 C GLY A 52 -1.483 4.105 -6.293 1.00 0.00 C ATOM 778 O GLY A 52 -2.344 3.457 -6.882 1.00 0.00 O ATOM 0 H GLY A 52 0.896 6.051 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.662 5.043 -8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.512 4.178 -7.059 1.00 0.00 H new ATOM 782 N PHE A 53 -1.426 4.211 -4.983 1.00 0.00 N ATOM 783 CA PHE A 53 -2.144 3.406 -4.057 1.00 0.00 C ATOM 784 C PHE A 53 -3.612 3.676 -3.937 1.00 0.00 C ATOM 785 O PHE A 53 -4.405 2.744 -3.873 1.00 0.00 O ATOM 786 CB PHE A 53 -1.465 3.632 -2.729 1.00 0.00 C ATOM 787 CG PHE A 53 -1.389 2.338 -2.066 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.570 1.358 -2.646 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.201 2.094 -0.970 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.540 0.089 -2.070 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.128 0.847 -0.392 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.314 -0.144 -0.926 1.00 0.00 C ATOM 0 H PHE A 53 -0.839 4.907 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.115 2.376 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.469 4.052 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.027 4.343 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.024 1.582 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.865 2.853 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.066 -0.697 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.713 0.636 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.277 -1.113 -0.450 1.00 0.00 H new ATOM 802 N GLU A 54 -3.975 4.948 -3.913 1.00 0.00 N ATOM 803 CA GLU A 54 -5.375 5.311 -3.912 1.00 0.00 C ATOM 804 C GLU A 54 -6.040 4.882 -5.231 1.00 0.00 C ATOM 805 O GLU A 54 -7.247 4.653 -5.231 1.00 0.00 O ATOM 806 CB GLU A 54 -5.528 6.788 -3.519 1.00 0.00 C ATOM 807 CG GLU A 54 -5.080 6.992 -2.054 1.00 0.00 C ATOM 808 CD GLU A 54 -6.054 6.384 -1.043 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.080 7.048 -0.773 1.00 0.00 O ATOM 810 OE2 GLU A 54 -5.749 5.273 -0.557 1.00 0.00 O ATOM 0 H GLU A 54 -3.326 5.735 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.928 4.764 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.930 7.413 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.566 7.099 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.095 6.546 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.978 8.059 -1.856 1.00 0.00 H new ATOM 817 N LYS A 55 -5.274 4.675 -6.323 1.00 0.00 N ATOM 818 CA LYS A 55 -5.781 3.999 -7.512 1.00 0.00 C ATOM 819 C LYS A 55 -5.752 2.474 -7.308 1.00 0.00 C ATOM 820 O LYS A 55 -6.707 1.786 -7.672 1.00 0.00 O ATOM 821 CB LYS A 55 -5.010 4.453 -8.767 1.00 0.00 C ATOM 822 CG LYS A 55 -5.380 3.687 -10.049 1.00 0.00 C ATOM 823 CD LYS A 55 -6.862 3.820 -10.437 1.00 0.00 C ATOM 824 CE LYS A 55 -7.209 2.968 -11.664 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.147 1.525 -11.360 1.00 0.00 N ATOM 0 H LYS A 55 -4.301 4.971 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.822 4.279 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.193 5.516 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.942 4.338 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.763 4.051 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.141 2.632 -9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.486 3.517 -9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.091 4.865 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.209 3.224 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.519 3.199 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.563 0.986 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.155 1.240 -11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.679 1.331 -10.488 1.00 0.00 H new ATOM 839 N GLU A 56 -4.685 1.930 -6.711 1.00 0.00 N ATOM 840 CA GLU A 56 -4.548 0.498 -6.449 1.00 0.00 C ATOM 841 C GLU A 56 -5.693 -0.016 -5.572 1.00 0.00 C ATOM 842 O GLU A 56 -6.162 -1.130 -5.775 1.00 0.00 O ATOM 843 CB GLU A 56 -3.190 0.170 -5.792 1.00 0.00 C ATOM 844 CG GLU A 56 -2.723 -1.236 -6.193 1.00 0.00 C ATOM 845 CD GLU A 56 -1.853 -1.872 -5.111 1.00 0.00 C ATOM 846 OE1 GLU A 56 -0.675 -1.468 -4.996 1.00 0.00 O ATOM 847 OE2 GLU A 56 -2.400 -2.751 -4.408 1.00 0.00 O ATOM 0 H GLU A 56 -3.886 2.480 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.593 -0.009 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.446 0.907 -6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.279 0.234 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.591 -1.868 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.162 -1.181 -7.126 1.00 0.00 H new ATOM 854 N GLU A 57 -6.167 0.788 -4.619 1.00 0.00 N ATOM 855 CA GLU A 57 -7.302 0.472 -3.762 1.00 0.00 C ATOM 856 C GLU A 57 -8.554 0.216 -4.606 1.00 0.00 C ATOM 857 O GLU A 57 -9.279 -0.744 -4.344 1.00 0.00 O ATOM 858 CB GLU A 57 -7.499 1.607 -2.744 1.00 0.00 C ATOM 859 CG GLU A 57 -8.685 1.343 -1.805 1.00 0.00 C ATOM 860 CD GLU A 57 -8.675 2.268 -0.587 1.00 0.00 C ATOM 861 OE1 GLU A 57 -8.690 3.499 -0.807 1.00 0.00 O ATOM 862 OE2 GLU A 57 -8.675 1.732 0.545 1.00 0.00 O ATOM 0 H GLU A 57 -5.758 1.701 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.108 -0.446 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.590 1.726 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.660 2.545 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.617 1.477 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.658 0.306 -1.471 1.00 0.00 H new ATOM 869 N GLU A 58 -8.779 1.028 -5.646 1.00 0.00 N ATOM 870 CA GLU A 58 -9.876 0.832 -6.583 1.00 0.00 C ATOM 871 C GLU A 58 -9.697 -0.494 -7.324 1.00 0.00 C ATOM 872 O GLU A 58 -10.661 -1.244 -7.465 1.00 0.00 O ATOM 873 CB GLU A 58 -10.012 2.003 -7.570 1.00 0.00 C ATOM 874 CG GLU A 58 -10.237 3.348 -6.866 1.00 0.00 C ATOM 875 CD GLU A 58 -10.360 4.485 -7.879 1.00 0.00 C ATOM 876 OE1 GLU A 58 -9.300 4.990 -8.311 1.00 0.00 O ATOM 877 OE2 GLU A 58 -11.515 4.821 -8.224 1.00 0.00 O ATOM 0 H GLU A 58 -8.199 1.841 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.803 0.797 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.112 2.064 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.844 1.808 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.141 3.298 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.409 3.550 -6.187 1.00 0.00 H new ATOM 884 N GLU A 59 -8.467 -0.819 -7.748 1.00 0.00 N ATOM 885 CA GLU A 59 -8.168 -2.128 -8.318 1.00 0.00 C ATOM 886 C GLU A 59 -8.532 -3.235 -7.329 1.00 0.00 C ATOM 887 O GLU A 59 -9.273 -4.152 -7.668 1.00 0.00 O ATOM 888 CB GLU A 59 -6.714 -2.230 -8.810 1.00 0.00 C ATOM 889 CG GLU A 59 -6.481 -3.559 -9.548 1.00 0.00 C ATOM 890 CD GLU A 59 -5.026 -3.765 -9.975 1.00 0.00 C ATOM 891 OE1 GLU A 59 -4.395 -2.773 -10.406 1.00 0.00 O ATOM 892 OE2 GLU A 59 -4.569 -4.925 -9.861 1.00 0.00 O ATOM 0 H GLU A 59 -7.667 -0.188 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.788 -2.260 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.490 -1.395 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.032 -2.154 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.783 -4.383 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.120 -3.594 -10.430 1.00 0.00 H new ATOM 899 N ASN A 60 -8.041 -3.158 -6.096 1.00 0.00 N ATOM 900 CA ASN A 60 -8.212 -4.232 -5.135 1.00 0.00 C ATOM 901 C ASN A 60 -9.690 -4.432 -4.796 1.00 0.00 C ATOM 902 O ASN A 60 -10.133 -5.571 -4.656 1.00 0.00 O ATOM 903 CB ASN A 60 -7.438 -3.948 -3.851 1.00 0.00 C ATOM 904 CG ASN A 60 -5.926 -4.163 -3.951 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.351 -4.958 -3.215 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.226 -3.479 -4.838 1.00 0.00 N ATOM 0 H ASN A 60 -7.519 -2.356 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.822 -5.141 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.625 -2.917 -3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.830 -4.586 -3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.217 -3.615 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.694 -2.815 -5.455 1.00 0.00 H new ATOM 913 N LEU A 61 -10.457 -3.339 -4.661 1.00 0.00 N ATOM 914 CA LEU A 61 -11.863 -3.422 -4.297 1.00 0.00 C ATOM 915 C LEU A 61 -12.708 -3.884 -5.483 1.00 0.00 C ATOM 916 O LEU A 61 -13.691 -4.583 -5.262 1.00 0.00 O ATOM 917 CB LEU A 61 -12.371 -2.132 -3.619 1.00 0.00 C ATOM 918 CG LEU A 61 -12.739 -0.946 -4.539 1.00 0.00 C ATOM 919 CD1 LEU A 61 -14.195 -0.995 -5.034 1.00 0.00 C ATOM 920 CD2 LEU A 61 -12.548 0.380 -3.790 1.00 0.00 C ATOM 0 H LEU A 61 -10.117 -2.388 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.973 -4.191 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.251 -2.386 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.605 -1.793 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.077 -1.019 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.390 -0.135 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.357 -1.913 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.871 -0.971 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.810 1.210 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.191 0.397 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.507 0.477 -3.481 1.00 0.00 H new ATOM 932 N THR A 62 -12.325 -3.555 -6.728 1.00 0.00 N ATOM 933 CA THR A 62 -12.988 -4.088 -7.911 1.00 0.00 C ATOM 934 C THR A 62 -12.630 -5.563 -8.115 1.00 0.00 C ATOM 935 O THR A 62 -13.494 -6.348 -8.507 1.00 0.00 O ATOM 936 CB THR A 62 -12.711 -3.188 -9.132 1.00 0.00 C ATOM 937 OG1 THR A 62 -13.884 -3.026 -9.901 1.00 0.00 O ATOM 938 CG2 THR A 62 -11.586 -3.615 -10.075 1.00 0.00 C ATOM 0 H THR A 62 -11.555 -2.918 -6.933 1.00 0.00 H new ATOM 0 HA THR A 62 -14.069 -4.071 -7.770 1.00 0.00 H new ATOM 0 HB THR A 62 -12.370 -2.260 -8.673 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.693 -2.451 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.500 -2.894 -10.888 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.646 -3.656 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.809 -4.600 -10.485 1.00 0.00 H new ATOM 946 N ARG A 63 -11.393 -5.969 -7.784 1.00 0.00 N ATOM 947 CA ARG A 63 -11.043 -7.391 -7.730 1.00 0.00 C ATOM 948 C ARG A 63 -11.768 -8.099 -6.579 1.00 0.00 C ATOM 949 O ARG A 63 -11.924 -9.317 -6.606 1.00 0.00 O ATOM 950 CB ARG A 63 -9.538 -7.599 -7.538 1.00 0.00 C ATOM 951 CG ARG A 63 -8.658 -7.231 -8.748 1.00 0.00 C ATOM 952 CD ARG A 63 -7.193 -7.674 -8.572 1.00 0.00 C ATOM 953 NE ARG A 63 -6.765 -7.603 -7.166 1.00 0.00 N ATOM 954 CZ ARG A 63 -5.751 -6.924 -6.629 1.00 0.00 C ATOM 955 NH1 ARG A 63 -4.873 -6.246 -7.365 1.00 0.00 N ATOM 956 NH2 ARG A 63 -5.626 -6.907 -5.304 1.00 0.00 N ATOM 0 H ARG A 63 -10.627 -5.336 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.352 -7.815 -8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.214 -7.008 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.362 -8.645 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.068 -7.694 -9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.692 -6.152 -8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.076 -8.695 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.547 -7.042 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.322 -8.150 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.962 -6.233 -8.381 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.112 -5.740 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.298 -7.407 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.858 -6.394 -4.871 1.00 0.00 H new ATOM 970 N LYS A 64 -12.169 -7.328 -5.563 1.00 0.00 N ATOM 971 CA LYS A 64 -12.722 -7.760 -4.288 1.00 0.00 C ATOM 972 C LYS A 64 -11.758 -8.703 -3.554 1.00 0.00 C ATOM 973 O LYS A 64 -12.186 -9.652 -2.897 1.00 0.00 O ATOM 974 CB LYS A 64 -14.154 -8.302 -4.489 1.00 0.00 C ATOM 975 CG LYS A 64 -15.060 -8.159 -3.251 1.00 0.00 C ATOM 976 CD LYS A 64 -15.428 -6.708 -2.888 1.00 0.00 C ATOM 977 CE LYS A 64 -16.269 -6.037 -3.979 1.00 0.00 C ATOM 978 NZ LYS A 64 -16.435 -4.596 -3.721 1.00 0.00 N ATOM 0 H LYS A 64 -12.108 -6.311 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.825 -6.909 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.615 -7.778 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.097 -9.355 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.978 -8.720 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.561 -8.618 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.980 -6.699 -1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.516 -6.132 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.792 -6.182 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.248 -6.514 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.312 -4.262 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.486 -4.431 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.625 -4.077 -4.115 1.00 0.00 H new ATOM 992 N SER A 65 -10.445 -8.446 -3.654 1.00 0.00 N ATOM 993 CA SER A 65 -9.469 -9.137 -2.830 1.00 0.00 C ATOM 994 C SER A 65 -9.646 -8.722 -1.359 1.00 0.00 C ATOM 995 O SER A 65 -10.305 -7.724 -1.062 1.00 0.00 O ATOM 996 CB SER A 65 -8.054 -8.918 -3.388 1.00 0.00 C ATOM 997 OG SER A 65 -7.694 -7.554 -3.485 1.00 0.00 O ATOM 0 H SER A 65 -10.045 -7.764 -4.299 1.00 0.00 H new ATOM 0 HA SER A 65 -9.631 -10.214 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.336 -9.431 -2.749 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.986 -9.375 -4.375 1.00 0.00 H new ATOM 0 HG SER A 65 -7.611 -7.173 -2.586 1.00 0.00 H new ATOM 1003 N ALA A 66 -9.055 -9.488 -0.431 1.00 0.00 N ATOM 1004 CA ALA A 66 -9.242 -9.390 1.020 1.00 0.00 C ATOM 1005 C ALA A 66 -8.603 -8.139 1.664 1.00 0.00 C ATOM 1006 O ALA A 66 -7.911 -8.232 2.680 1.00 0.00 O ATOM 1007 CB ALA A 66 -8.726 -10.690 1.658 1.00 0.00 C ATOM 0 H ALA A 66 -8.402 -10.229 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.308 -9.265 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.855 -10.641 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.288 -11.537 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.669 -10.816 1.424 1.00 0.00 H new ATOM 1013 N SER A 67 -8.825 -6.956 1.085 1.00 0.00 N ATOM 1014 CA SER A 67 -8.387 -5.662 1.573 1.00 0.00 C ATOM 1015 C SER A 67 -9.133 -5.273 2.856 1.00 0.00 C ATOM 1016 O SER A 67 -10.023 -4.425 2.848 1.00 0.00 O ATOM 1017 CB SER A 67 -8.560 -4.612 0.468 1.00 0.00 C ATOM 1018 OG SER A 67 -7.473 -4.655 -0.438 1.00 0.00 O ATOM 0 H SER A 67 -9.347 -6.880 0.212 1.00 0.00 H new ATOM 0 HA SER A 67 -7.330 -5.716 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.493 -4.790 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.631 -3.619 0.911 1.00 0.00 H new ATOM 0 HG SER A 67 -7.485 -5.506 -0.923 1.00 0.00 H new ATOM 1024 N LYS A 68 -8.743 -5.894 3.970 1.00 0.00 N ATOM 1025 CA LYS A 68 -9.187 -5.561 5.317 1.00 0.00 C ATOM 1026 C LYS A 68 -8.987 -4.062 5.580 1.00 0.00 C ATOM 1027 O LYS A 68 -8.777 -3.641 6.717 1.00 0.00 O ATOM 1028 CB LYS A 68 -8.482 -6.481 6.334 1.00 0.00 C ATOM 1029 CG LYS A 68 -6.946 -6.380 6.302 1.00 0.00 C ATOM 1030 CD LYS A 68 -6.305 -7.274 7.372 1.00 0.00 C ATOM 1031 CE LYS A 68 -4.773 -7.249 7.288 1.00 0.00 C ATOM 1032 NZ LYS A 68 -4.217 -5.915 7.579 1.00 0.00 N ATOM 0 H LYS A 68 -8.084 -6.672 3.954 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.256 -5.742 5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.832 -6.235 7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.773 -7.513 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.581 -6.670 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.644 -5.345 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.621 -6.942 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.660 -8.298 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.361 -7.973 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.461 -7.560 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.178 -5.967 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.520 -5.245 6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.560 -5.591 8.506 1.00 0.00 H new TER 1046 LYS A 68