USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 727 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 56 LYS NZ :NH3+ -121:sc= 0.0474 (180deg=-1.03) USER MOD Set 1.2: A 72 GLN : amide:sc= 0.0481 K(o=0.095,f=-0.7) USER MOD Set 2.1: A 33 CYS SG : rot -37:sc= 1.54 USER MOD Set 2.2: A 83 CYS SG : rot 173:sc= 0.00597 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0686 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 75:sc= 1.14 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -7.2! C(o=-9.6!,f=-7.2!) USER MOD Single : A 18 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-6!) USER MOD Single : A 22 GLN : amide:sc=-0.00145 K(o=-0.0015,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= -0.448 USER MOD Single : A 30 THR OG1 : rot -22:sc= 0.684 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.907 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.14) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 44:sc= 0.746 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.635 USER MOD Single : A 65 THR OG1 : rot 10:sc= 0.296 USER MOD Single : A 71 GLN : amide:sc= -0.0245 K(o=-0.024,f=-1) USER MOD Single : A 75 GLN : amide:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 81 TYR OH : rot -1:sc= 0.197 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.36) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0193 K(o=-0.019,f=-0.98) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot -107:sc= 0.0394 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.126 28.898 14.879 1.00 0.00 N ATOM 2 CA GLY A 1 11.871 28.096 13.926 1.00 0.00 C ATOM 3 C GLY A 1 11.435 28.343 12.495 1.00 0.00 C ATOM 4 O GLY A 1 10.351 28.872 12.252 1.00 0.00 O ATOM 0 H1 GLY A 1 11.766 29.581 15.333 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.368 29.410 14.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.710 28.279 15.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.934 28.317 14.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.742 27.040 14.165 1.00 0.00 H new ATOM 8 N SER A 2 12.283 27.960 11.546 1.00 0.00 N ATOM 9 CA SER A 2 11.982 28.148 10.131 1.00 0.00 C ATOM 10 C SER A 2 10.491 27.966 9.864 1.00 0.00 C ATOM 11 O SER A 2 9.895 26.968 10.268 1.00 0.00 O ATOM 12 CB SER A 2 12.789 27.164 9.282 1.00 0.00 C ATOM 13 OG SER A 2 13.015 27.679 7.981 1.00 0.00 O ATOM 0 H SER A 2 13.183 27.518 11.731 1.00 0.00 H new ATOM 0 HA SER A 2 12.260 29.166 9.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.744 26.959 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.256 26.216 9.214 1.00 0.00 H new ATOM 0 HG SER A 2 13.534 27.032 7.459 1.00 0.00 H new ATOM 19 N SER A 3 9.896 28.938 9.180 1.00 0.00 N ATOM 20 CA SER A 3 8.474 28.887 8.861 1.00 0.00 C ATOM 21 C SER A 3 8.180 29.646 7.570 1.00 0.00 C ATOM 22 O SER A 3 8.923 30.546 7.182 1.00 0.00 O ATOM 23 CB SER A 3 7.651 29.475 10.009 1.00 0.00 C ATOM 24 OG SER A 3 7.790 28.697 11.186 1.00 0.00 O ATOM 0 H SER A 3 10.376 29.770 8.836 1.00 0.00 H new ATOM 0 HA SER A 3 8.195 27.843 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.973 30.498 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.601 29.521 9.721 1.00 0.00 H new ATOM 0 HG SER A 3 8.666 28.870 11.591 1.00 0.00 H new ATOM 30 N GLY A 4 7.088 29.274 6.908 1.00 0.00 N ATOM 31 CA GLY A 4 6.714 29.928 5.668 1.00 0.00 C ATOM 32 C GLY A 4 5.782 29.080 4.824 1.00 0.00 C ATOM 33 O GLY A 4 4.562 29.156 4.968 1.00 0.00 O ATOM 0 H GLY A 4 6.456 28.532 7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.231 30.879 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.613 30.155 5.095 1.00 0.00 H new ATOM 37 N SER A 5 6.358 28.272 3.940 1.00 0.00 N ATOM 38 CA SER A 5 5.571 27.411 3.065 1.00 0.00 C ATOM 39 C SER A 5 4.906 26.291 3.860 1.00 0.00 C ATOM 40 O SER A 5 5.550 25.309 4.228 1.00 0.00 O ATOM 41 CB SER A 5 6.456 26.816 1.968 1.00 0.00 C ATOM 42 OG SER A 5 7.096 27.836 1.221 1.00 0.00 O ATOM 0 H SER A 5 7.367 28.196 3.811 1.00 0.00 H new ATOM 0 HA SER A 5 4.792 28.019 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.206 26.163 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.852 26.199 1.303 1.00 0.00 H new ATOM 0 HG SER A 5 7.657 27.430 0.527 1.00 0.00 H new ATOM 48 N SER A 6 3.612 26.448 4.122 1.00 0.00 N ATOM 49 CA SER A 6 2.859 25.453 4.877 1.00 0.00 C ATOM 50 C SER A 6 2.909 24.094 4.185 1.00 0.00 C ATOM 51 O SER A 6 2.876 24.008 2.959 1.00 0.00 O ATOM 52 CB SER A 6 1.405 25.901 5.042 1.00 0.00 C ATOM 53 OG SER A 6 0.711 25.055 5.942 1.00 0.00 O ATOM 0 H SER A 6 3.064 27.254 3.823 1.00 0.00 H new ATOM 0 HA SER A 6 3.316 25.357 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.376 26.928 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.906 25.894 4.073 1.00 0.00 H new ATOM 0 HG SER A 6 -0.215 25.363 6.032 1.00 0.00 H new ATOM 59 N GLY A 7 2.990 23.034 4.984 1.00 0.00 N ATOM 60 CA GLY A 7 3.044 21.692 4.432 1.00 0.00 C ATOM 61 C GLY A 7 4.434 21.092 4.501 1.00 0.00 C ATOM 62 O GLY A 7 5.400 21.781 4.829 1.00 0.00 O ATOM 0 H GLY A 7 3.019 23.080 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.348 21.051 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.713 21.716 3.394 1.00 0.00 H new ATOM 66 N LYS A 8 4.537 19.804 4.193 1.00 0.00 N ATOM 67 CA LYS A 8 5.818 19.110 4.222 1.00 0.00 C ATOM 68 C LYS A 8 5.831 17.949 3.232 1.00 0.00 C ATOM 69 O LYS A 8 4.785 17.536 2.732 1.00 0.00 O ATOM 70 CB LYS A 8 6.111 18.594 5.633 1.00 0.00 C ATOM 71 CG LYS A 8 5.038 17.666 6.176 1.00 0.00 C ATOM 72 CD LYS A 8 5.228 17.403 7.660 1.00 0.00 C ATOM 73 CE LYS A 8 6.313 16.366 7.908 1.00 0.00 C ATOM 74 NZ LYS A 8 6.692 16.293 9.346 1.00 0.00 N ATOM 0 H LYS A 8 3.747 19.219 3.920 1.00 0.00 H new ATOM 0 HA LYS A 8 6.593 19.820 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.066 18.068 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.219 19.444 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.055 18.106 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.063 16.722 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.490 18.333 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.289 17.059 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.964 15.389 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.193 16.611 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.434 15.575 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.049 17.219 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.859 16.034 9.912 1.00 0.00 H new ATOM 88 N VAL A 9 7.021 17.426 2.955 1.00 0.00 N ATOM 89 CA VAL A 9 7.169 16.311 2.027 1.00 0.00 C ATOM 90 C VAL A 9 7.813 15.110 2.710 1.00 0.00 C ATOM 91 O VAL A 9 8.902 15.213 3.275 1.00 0.00 O ATOM 92 CB VAL A 9 8.017 16.708 0.804 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.218 15.513 -0.116 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.366 17.862 0.057 1.00 0.00 C ATOM 0 H VAL A 9 7.897 17.757 3.360 1.00 0.00 H new ATOM 0 HA VAL A 9 6.167 16.041 1.693 1.00 0.00 H new ATOM 0 HB VAL A 9 8.996 17.037 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.819 15.812 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.730 14.718 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.249 15.152 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.978 18.130 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.374 17.563 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.278 18.722 0.721 1.00 0.00 H new ATOM 104 N VAL A 10 7.132 13.969 2.654 1.00 0.00 N ATOM 105 CA VAL A 10 7.638 12.746 3.266 1.00 0.00 C ATOM 106 C VAL A 10 8.251 11.821 2.220 1.00 0.00 C ATOM 107 O VAL A 10 9.250 11.150 2.478 1.00 0.00 O ATOM 108 CB VAL A 10 6.524 11.990 4.014 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.116 10.900 4.894 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.687 12.956 4.839 1.00 0.00 C ATOM 0 H VAL A 10 6.229 13.867 2.191 1.00 0.00 H new ATOM 0 HA VAL A 10 8.407 13.044 3.979 1.00 0.00 H new ATOM 0 HB VAL A 10 5.873 11.517 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.314 10.377 5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.669 10.193 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.790 11.348 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.905 12.405 5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.324 13.459 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.232 13.697 4.181 1.00 0.00 H new ATOM 120 N PHE A 11 7.645 11.791 1.038 1.00 0.00 N ATOM 121 CA PHE A 11 8.131 10.948 -0.048 1.00 0.00 C ATOM 122 C PHE A 11 8.773 11.791 -1.146 1.00 0.00 C ATOM 123 O PHE A 11 8.645 13.015 -1.158 1.00 0.00 O ATOM 124 CB PHE A 11 6.984 10.119 -0.631 1.00 0.00 C ATOM 125 CG PHE A 11 6.200 9.368 0.406 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.662 8.159 0.902 1.00 0.00 C ATOM 127 CD2 PHE A 11 5.000 9.870 0.886 1.00 0.00 C ATOM 128 CE1 PHE A 11 5.943 7.465 1.857 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.277 9.180 1.841 1.00 0.00 C ATOM 130 CZ PHE A 11 4.749 7.976 2.326 1.00 0.00 C ATOM 0 H PHE A 11 6.817 12.340 0.808 1.00 0.00 H new ATOM 0 HA PHE A 11 8.887 10.276 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.310 10.779 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.389 9.410 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.595 7.754 0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.626 10.811 0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.315 6.524 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.344 9.582 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.185 7.435 3.071 1.00 0.00 H new ATOM 140 N ALA A 12 9.464 11.126 -2.066 1.00 0.00 N ATOM 141 CA ALA A 12 10.126 11.813 -3.169 1.00 0.00 C ATOM 142 C ALA A 12 9.144 12.693 -3.935 1.00 0.00 C ATOM 143 O ALA A 12 7.944 12.417 -3.972 1.00 0.00 O ATOM 144 CB ALA A 12 10.776 10.805 -4.105 1.00 0.00 C ATOM 0 H ALA A 12 9.580 10.113 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 12 10.901 12.456 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.266 11.332 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.514 10.221 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.014 10.138 -4.508 1.00 0.00 H new ATOM 150 N LYS A 13 9.660 13.754 -4.546 1.00 0.00 N ATOM 151 CA LYS A 13 8.829 14.675 -5.313 1.00 0.00 C ATOM 152 C LYS A 13 8.321 14.014 -6.590 1.00 0.00 C ATOM 153 O LYS A 13 7.208 14.286 -7.039 1.00 0.00 O ATOM 154 CB LYS A 13 9.620 15.939 -5.660 1.00 0.00 C ATOM 155 CG LYS A 13 10.934 15.659 -6.368 1.00 0.00 C ATOM 156 CD LYS A 13 11.999 16.675 -5.990 1.00 0.00 C ATOM 157 CE LYS A 13 11.887 17.939 -6.829 1.00 0.00 C ATOM 158 NZ LYS A 13 13.154 18.721 -6.826 1.00 0.00 N ATOM 0 H LYS A 13 10.650 13.998 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 13 7.970 14.948 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.006 16.580 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.822 16.494 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.279 14.657 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.778 15.678 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.903 16.928 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.987 16.235 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.627 17.673 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.077 18.559 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.037 19.574 -7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.389 18.997 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.922 18.139 -7.216 1.00 0.00 H new ATOM 172 N GLU A 14 9.143 13.145 -7.170 1.00 0.00 N ATOM 173 CA GLU A 14 8.775 12.446 -8.395 1.00 0.00 C ATOM 174 C GLU A 14 8.068 11.130 -8.079 1.00 0.00 C ATOM 175 O GLU A 14 8.057 10.210 -8.896 1.00 0.00 O ATOM 176 CB GLU A 14 10.016 12.179 -9.249 1.00 0.00 C ATOM 177 CG GLU A 14 11.288 12.005 -8.436 1.00 0.00 C ATOM 178 CD GLU A 14 12.435 11.449 -9.259 1.00 0.00 C ATOM 179 OE1 GLU A 14 12.165 10.839 -10.314 1.00 0.00 O ATOM 180 OE2 GLU A 14 13.600 11.625 -8.847 1.00 0.00 O ATOM 0 H GLU A 14 10.068 12.909 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 14 8.089 13.082 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.850 11.282 -9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.151 13.005 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.580 12.967 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.090 11.337 -7.597 1.00 0.00 H new ATOM 187 N GLN A 15 7.482 11.051 -6.890 1.00 0.00 N ATOM 188 CA GLN A 15 6.774 9.849 -6.466 1.00 0.00 C ATOM 189 C GLN A 15 5.449 9.706 -7.208 1.00 0.00 C ATOM 190 O GLN A 15 4.718 10.675 -7.414 1.00 0.00 O ATOM 191 CB GLN A 15 6.526 9.883 -4.956 1.00 0.00 C ATOM 192 CG GLN A 15 7.761 9.563 -4.130 1.00 0.00 C ATOM 193 CD GLN A 15 7.896 8.083 -3.831 1.00 0.00 C ATOM 194 OE1 GLN A 15 8.927 7.723 -3.076 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 7.083 7.272 -4.275 1.00 0.00 N flip ATOM 0 H GLN A 15 7.483 11.805 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 15 7.398 8.988 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.159 10.871 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.739 9.170 -4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.648 9.904 -4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.720 10.117 -3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.305 7.593 -4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.187 6.279 -4.066 1.00 0.00 H new ATOM 204 N PRO A 16 5.131 8.470 -7.619 1.00 0.00 N ATOM 205 CA PRO A 16 3.893 8.171 -8.344 1.00 0.00 C ATOM 206 C PRO A 16 2.657 8.301 -7.460 1.00 0.00 C ATOM 207 O PRO A 16 2.516 7.589 -6.467 1.00 0.00 O ATOM 208 CB PRO A 16 4.083 6.719 -8.788 1.00 0.00 C ATOM 209 CG PRO A 16 5.038 6.143 -7.800 1.00 0.00 C ATOM 210 CD PRO A 16 5.955 7.268 -7.407 1.00 0.00 C ATOM 0 HA PRO A 16 3.726 8.864 -9.168 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.137 6.177 -8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.480 6.664 -9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.511 5.748 -6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.599 5.316 -8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.277 7.180 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.856 7.285 -8.020 1.00 0.00 H new ATOM 218 N ALA A 17 1.765 9.215 -7.828 1.00 0.00 N ATOM 219 CA ALA A 17 0.540 9.436 -7.070 1.00 0.00 C ATOM 220 C ALA A 17 -0.133 8.114 -6.716 1.00 0.00 C ATOM 221 O ALA A 17 -0.587 7.919 -5.588 1.00 0.00 O ATOM 222 CB ALA A 17 -0.414 10.323 -7.855 1.00 0.00 C ATOM 0 H ALA A 17 1.868 9.814 -8.647 1.00 0.00 H new ATOM 0 HA ALA A 17 0.804 9.939 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.325 10.479 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.061 11.284 -8.051 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.663 9.842 -8.801 1.00 0.00 H new ATOM 228 N HIS A 18 -0.194 7.208 -7.687 1.00 0.00 N ATOM 229 CA HIS A 18 -0.812 5.903 -7.478 1.00 0.00 C ATOM 230 C HIS A 18 -0.228 4.866 -8.433 1.00 0.00 C ATOM 231 O HIS A 18 -0.434 4.938 -9.644 1.00 0.00 O ATOM 232 CB HIS A 18 -2.326 5.996 -7.672 1.00 0.00 C ATOM 233 CG HIS A 18 -2.972 4.680 -7.979 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.544 3.487 -7.436 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.022 4.374 -8.776 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.302 2.503 -7.888 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.207 3.015 -8.703 1.00 0.00 N ATOM 0 H HIS A 18 0.177 7.353 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.602 5.588 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.775 6.410 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.538 6.693 -8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.606 5.069 -9.361 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.199 1.458 -7.634 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.926 2.487 -9.198 1.00 0.00 H new ATOM 246 N ARG A 19 0.502 3.904 -7.878 1.00 0.00 N ATOM 247 CA ARG A 19 1.117 2.853 -8.680 1.00 0.00 C ATOM 248 C ARG A 19 0.147 1.695 -8.896 1.00 0.00 C ATOM 249 O ARG A 19 -0.890 1.611 -8.239 1.00 0.00 O ATOM 250 CB ARG A 19 2.392 2.346 -8.003 1.00 0.00 C ATOM 251 CG ARG A 19 3.644 3.100 -8.419 1.00 0.00 C ATOM 252 CD ARG A 19 4.875 2.209 -8.364 1.00 0.00 C ATOM 253 NE ARG A 19 5.054 1.447 -9.597 1.00 0.00 N ATOM 254 CZ ARG A 19 5.332 2.002 -10.771 1.00 0.00 C ATOM 255 NH1 ARG A 19 5.463 3.318 -10.871 1.00 0.00 N ATOM 256 NH2 ARG A 19 5.481 1.241 -11.848 1.00 0.00 N ATOM 0 H ARG A 19 0.682 3.831 -6.877 1.00 0.00 H new ATOM 0 HA ARG A 19 1.373 3.275 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.274 2.423 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.521 1.289 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.518 3.486 -9.430 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.786 3.960 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.758 2.822 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.788 1.522 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 19 4.960 0.432 -9.554 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.350 3.906 -10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.677 3.742 -11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.382 0.228 -11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.694 1.669 -12.749 1.00 0.00 H new ATOM 270 N GLU A 20 0.492 0.805 -9.821 1.00 0.00 N ATOM 271 CA GLU A 20 -0.349 -0.347 -10.124 1.00 0.00 C ATOM 272 C GLU A 20 0.475 -1.631 -10.149 1.00 0.00 C ATOM 273 O GLU A 20 1.183 -1.909 -11.117 1.00 0.00 O ATOM 274 CB GLU A 20 -1.052 -0.153 -11.469 1.00 0.00 C ATOM 275 CG GLU A 20 -2.152 0.895 -11.436 1.00 0.00 C ATOM 276 CD GLU A 20 -3.233 0.639 -12.467 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.408 -0.533 -12.864 1.00 0.00 O ATOM 278 OE2 GLU A 20 -3.904 1.608 -12.878 1.00 0.00 O ATOM 0 H GLU A 20 1.348 0.860 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.100 -0.433 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.313 0.132 -12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.478 -1.105 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.600 0.915 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.716 1.879 -11.609 1.00 0.00 H new ATOM 285 N VAL A 21 0.378 -2.410 -9.076 1.00 0.00 N ATOM 286 CA VAL A 21 1.114 -3.665 -8.973 1.00 0.00 C ATOM 287 C VAL A 21 0.227 -4.852 -9.331 1.00 0.00 C ATOM 288 O VAL A 21 -0.981 -4.828 -9.099 1.00 0.00 O ATOM 289 CB VAL A 21 1.679 -3.869 -7.555 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.392 -5.209 -7.453 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.615 -2.729 -7.186 1.00 0.00 C ATOM 0 H VAL A 21 -0.203 -2.194 -8.266 1.00 0.00 H new ATOM 0 HA VAL A 21 1.941 -3.607 -9.680 1.00 0.00 H new ATOM 0 HB VAL A 21 0.849 -3.871 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.785 -5.336 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.689 -6.013 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.213 -5.239 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.005 -2.889 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.442 -2.693 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.070 -1.786 -7.217 1.00 0.00 H new ATOM 301 N GLN A 22 0.836 -5.889 -9.897 1.00 0.00 N ATOM 302 CA GLN A 22 0.101 -7.086 -10.287 1.00 0.00 C ATOM 303 C GLN A 22 0.828 -8.345 -9.829 1.00 0.00 C ATOM 304 O GLN A 22 2.055 -8.422 -9.889 1.00 0.00 O ATOM 305 CB GLN A 22 -0.094 -7.119 -11.804 1.00 0.00 C ATOM 306 CG GLN A 22 -1.111 -8.150 -12.265 1.00 0.00 C ATOM 307 CD GLN A 22 -1.113 -8.337 -13.769 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.211 -7.870 -14.465 1.00 0.00 O ATOM 309 NE2 GLN A 22 -2.129 -9.022 -14.280 1.00 0.00 N ATOM 0 H GLN A 22 1.836 -5.924 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.875 -7.056 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.410 -6.132 -12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.864 -7.328 -12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.898 -9.105 -11.784 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.105 -7.844 -11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.855 -9.391 -13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.183 -9.179 -15.286 1.00 0.00 H new ATOM 318 N ALA A 23 0.064 -9.331 -9.371 1.00 0.00 N ATOM 319 CA ALA A 23 0.636 -10.588 -8.904 1.00 0.00 C ATOM 320 C ALA A 23 -0.262 -11.767 -9.263 1.00 0.00 C ATOM 321 O ALA A 23 -1.315 -11.592 -9.876 1.00 0.00 O ATOM 322 CB ALA A 23 0.866 -10.536 -7.401 1.00 0.00 C ATOM 0 H ALA A 23 -0.953 -9.284 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 23 1.595 -10.730 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.293 -11.481 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.553 -9.723 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.084 -10.367 -6.893 1.00 0.00 H new ATOM 328 N GLU A 24 0.162 -12.967 -8.878 1.00 0.00 N ATOM 329 CA GLU A 24 -0.604 -14.174 -9.162 1.00 0.00 C ATOM 330 C GLU A 24 -1.030 -14.865 -7.870 1.00 0.00 C ATOM 331 O GLU A 24 -0.364 -14.747 -6.842 1.00 0.00 O ATOM 332 CB GLU A 24 0.219 -15.137 -10.020 1.00 0.00 C ATOM 333 CG GLU A 24 0.307 -14.727 -11.481 1.00 0.00 C ATOM 334 CD GLU A 24 0.516 -15.910 -12.407 1.00 0.00 C ATOM 335 OE1 GLU A 24 1.624 -16.485 -12.393 1.00 0.00 O ATOM 336 OE2 GLU A 24 -0.428 -16.259 -13.145 1.00 0.00 O ATOM 0 H GLU A 24 1.031 -13.129 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.500 -13.884 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.226 -15.206 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.220 -16.133 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.608 -14.206 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.128 -14.022 -11.608 1.00 0.00 H new ATOM 343 N ALA A 25 -2.146 -15.584 -7.930 1.00 0.00 N ATOM 344 CA ALA A 25 -2.661 -16.295 -6.766 1.00 0.00 C ATOM 345 C ALA A 25 -1.621 -17.261 -6.208 1.00 0.00 C ATOM 346 O ALA A 25 -1.212 -18.205 -6.882 1.00 0.00 O ATOM 347 CB ALA A 25 -3.938 -17.041 -7.125 1.00 0.00 C ATOM 0 H ALA A 25 -2.711 -15.690 -8.773 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.888 -15.560 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.311 -17.567 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.690 -16.331 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.729 -17.760 -7.917 1.00 0.00 H new ATOM 353 N GLY A 26 -1.196 -17.016 -4.972 1.00 0.00 N ATOM 354 CA GLY A 26 -0.207 -17.873 -4.345 1.00 0.00 C ATOM 355 C GLY A 26 1.206 -17.349 -4.516 1.00 0.00 C ATOM 356 O GLY A 26 2.147 -17.878 -3.925 1.00 0.00 O ATOM 0 H GLY A 26 -1.519 -16.240 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.431 -17.964 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.274 -18.874 -4.772 1.00 0.00 H new ATOM 360 N ALA A 27 1.354 -16.308 -5.329 1.00 0.00 N ATOM 361 CA ALA A 27 2.662 -15.713 -5.576 1.00 0.00 C ATOM 362 C ALA A 27 3.029 -14.719 -4.479 1.00 0.00 C ATOM 363 O ALA A 27 2.288 -14.546 -3.512 1.00 0.00 O ATOM 364 CB ALA A 27 2.683 -15.032 -6.937 1.00 0.00 C ATOM 0 H ALA A 27 0.585 -15.860 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 27 3.404 -16.511 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.665 -14.592 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.474 -15.767 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.925 -14.249 -6.964 1.00 0.00 H new ATOM 370 N SER A 28 4.177 -14.069 -4.636 1.00 0.00 N ATOM 371 CA SER A 28 4.645 -13.096 -3.656 1.00 0.00 C ATOM 372 C SER A 28 4.736 -11.704 -4.274 1.00 0.00 C ATOM 373 O SER A 28 5.573 -11.450 -5.139 1.00 0.00 O ATOM 374 CB SER A 28 6.010 -13.511 -3.105 1.00 0.00 C ATOM 375 OG SER A 28 6.463 -12.596 -2.122 1.00 0.00 O ATOM 0 H SER A 28 4.801 -14.198 -5.433 1.00 0.00 H new ATOM 0 HA SER A 28 3.925 -13.066 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.943 -14.510 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.733 -13.563 -3.919 1.00 0.00 H new ATOM 0 HG SER A 28 7.337 -12.884 -1.784 1.00 0.00 H new ATOM 381 N ALA A 29 3.867 -10.805 -3.823 1.00 0.00 N ATOM 382 CA ALA A 29 3.849 -9.438 -4.329 1.00 0.00 C ATOM 383 C ALA A 29 4.914 -8.586 -3.647 1.00 0.00 C ATOM 384 O ALA A 29 5.570 -9.031 -2.704 1.00 0.00 O ATOM 385 CB ALA A 29 2.472 -8.821 -4.134 1.00 0.00 C ATOM 0 H ALA A 29 3.166 -10.999 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 29 4.074 -9.469 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.473 -7.800 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.730 -9.410 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.225 -8.810 -3.072 1.00 0.00 H new ATOM 391 N THR A 30 5.082 -7.359 -4.129 1.00 0.00 N ATOM 392 CA THR A 30 6.069 -6.446 -3.567 1.00 0.00 C ATOM 393 C THR A 30 5.764 -5.002 -3.951 1.00 0.00 C ATOM 394 O THR A 30 5.807 -4.640 -5.127 1.00 0.00 O ATOM 395 CB THR A 30 7.493 -6.799 -4.036 1.00 0.00 C ATOM 396 OG1 THR A 30 7.772 -8.177 -3.760 1.00 0.00 O ATOM 397 CG2 THR A 30 8.525 -5.920 -3.345 1.00 0.00 C ATOM 0 H THR A 30 4.547 -6.974 -4.908 1.00 0.00 H new ATOM 0 HA THR A 30 6.015 -6.551 -2.483 1.00 0.00 H new ATOM 0 HB THR A 30 7.551 -6.624 -5.110 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.176 -8.496 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.523 -6.188 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.328 -4.874 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.465 -6.067 -2.267 1.00 0.00 H new ATOM 405 N LEU A 31 5.456 -4.182 -2.953 1.00 0.00 N ATOM 406 CA LEU A 31 5.144 -2.776 -3.186 1.00 0.00 C ATOM 407 C LEU A 31 6.258 -1.877 -2.660 1.00 0.00 C ATOM 408 O LEU A 31 6.308 -1.565 -1.470 1.00 0.00 O ATOM 409 CB LEU A 31 3.818 -2.410 -2.516 1.00 0.00 C ATOM 410 CG LEU A 31 2.710 -3.459 -2.604 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.514 -3.044 -1.762 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.295 -3.678 -4.052 1.00 0.00 C ATOM 0 H LEU A 31 5.415 -4.466 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 31 5.055 -2.622 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.011 -2.202 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.452 -1.485 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 31 3.096 -4.400 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.735 -3.803 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.820 -2.940 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.128 -2.091 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.505 -4.428 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.928 -2.741 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.154 -4.022 -4.629 1.00 0.00 H new ATOM 424 N SER A 32 7.149 -1.461 -3.555 1.00 0.00 N ATOM 425 CA SER A 32 8.263 -0.599 -3.181 1.00 0.00 C ATOM 426 C SER A 32 7.880 0.872 -3.314 1.00 0.00 C ATOM 427 O SER A 32 7.046 1.235 -4.145 1.00 0.00 O ATOM 428 CB SER A 32 9.484 -0.900 -4.052 1.00 0.00 C ATOM 429 OG SER A 32 10.472 0.106 -3.912 1.00 0.00 O ATOM 0 H SER A 32 7.120 -1.707 -4.544 1.00 0.00 H new ATOM 0 HA SER A 32 8.511 -0.800 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.903 -1.867 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.180 -0.973 -5.096 1.00 0.00 H new ATOM 0 HG SER A 32 11.242 -0.111 -4.478 1.00 0.00 H new ATOM 435 N CYS A 33 8.495 1.714 -2.491 1.00 0.00 N ATOM 436 CA CYS A 33 8.218 3.146 -2.515 1.00 0.00 C ATOM 437 C CYS A 33 9.345 3.928 -1.848 1.00 0.00 C ATOM 438 O CYS A 33 9.700 3.665 -0.700 1.00 0.00 O ATOM 439 CB CYS A 33 6.891 3.442 -1.815 1.00 0.00 C ATOM 440 SG CYS A 33 6.705 2.629 -0.210 1.00 0.00 S ATOM 0 H CYS A 33 9.189 1.430 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 33 8.148 3.461 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.797 4.519 -1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.073 3.131 -2.465 1.00 0.00 H new ATOM 0 HG CYS A 33 7.234 1.443 -0.261 1.00 0.00 H new ATOM 446 N GLU A 34 9.903 4.890 -2.577 1.00 0.00 N ATOM 447 CA GLU A 34 10.991 5.709 -2.056 1.00 0.00 C ATOM 448 C GLU A 34 10.492 6.642 -0.957 1.00 0.00 C ATOM 449 O GLU A 34 9.287 6.817 -0.775 1.00 0.00 O ATOM 450 CB GLU A 34 11.630 6.524 -3.182 1.00 0.00 C ATOM 451 CG GLU A 34 12.665 5.751 -3.982 1.00 0.00 C ATOM 452 CD GLU A 34 13.554 6.655 -4.814 1.00 0.00 C ATOM 453 OE1 GLU A 34 13.029 7.327 -5.727 1.00 0.00 O ATOM 454 OE2 GLU A 34 14.774 6.692 -4.551 1.00 0.00 O ATOM 0 H GLU A 34 9.620 5.121 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 34 11.741 5.043 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.847 6.872 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.100 7.410 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.283 5.167 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.158 5.043 -4.638 1.00 0.00 H new ATOM 461 N VAL A 35 11.427 7.240 -0.226 1.00 0.00 N ATOM 462 CA VAL A 35 11.084 8.156 0.855 1.00 0.00 C ATOM 463 C VAL A 35 12.102 9.286 0.963 1.00 0.00 C ATOM 464 O VAL A 35 13.309 9.050 0.949 1.00 0.00 O ATOM 465 CB VAL A 35 11.002 7.423 2.208 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.728 6.596 2.291 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.229 6.548 2.414 1.00 0.00 C ATOM 0 H VAL A 35 12.429 7.106 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 35 10.106 8.574 0.616 1.00 0.00 H new ATOM 0 HB VAL A 35 10.976 8.167 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.688 6.086 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.862 7.251 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.720 5.858 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.155 6.038 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.288 5.810 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.125 7.169 2.401 1.00 0.00 H new ATOM 477 N ALA A 36 11.605 10.514 1.070 1.00 0.00 N ATOM 478 CA ALA A 36 12.472 11.680 1.183 1.00 0.00 C ATOM 479 C ALA A 36 13.462 11.520 2.330 1.00 0.00 C ATOM 480 O ALA A 36 14.538 12.117 2.321 1.00 0.00 O ATOM 481 CB ALA A 36 11.639 12.940 1.374 1.00 0.00 C ATOM 0 H ALA A 36 10.607 10.727 1.081 1.00 0.00 H new ATOM 0 HA ALA A 36 13.041 11.770 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.299 13.803 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.976 13.071 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.045 12.849 2.283 1.00 0.00 H new ATOM 487 N GLN A 37 13.092 10.711 3.317 1.00 0.00 N ATOM 488 CA GLN A 37 13.948 10.474 4.473 1.00 0.00 C ATOM 489 C GLN A 37 13.892 9.011 4.902 1.00 0.00 C ATOM 490 O GLN A 37 12.839 8.377 4.842 1.00 0.00 O ATOM 491 CB GLN A 37 13.532 11.375 5.637 1.00 0.00 C ATOM 492 CG GLN A 37 13.351 12.832 5.243 1.00 0.00 C ATOM 493 CD GLN A 37 13.470 13.775 6.424 1.00 0.00 C ATOM 494 OE1 GLN A 37 14.454 14.503 6.555 1.00 0.00 O ATOM 495 NE2 GLN A 37 12.466 13.766 7.293 1.00 0.00 N ATOM 0 H GLN A 37 12.205 10.208 3.339 1.00 0.00 H new ATOM 0 HA GLN A 37 14.973 10.711 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.598 11.002 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.285 11.310 6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.097 13.097 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.374 12.960 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.669 13.146 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.491 14.379 8.108 1.00 0.00 H new ATOM 504 N ALA A 38 15.032 8.482 5.334 1.00 0.00 N ATOM 505 CA ALA A 38 15.111 7.095 5.774 1.00 0.00 C ATOM 506 C ALA A 38 14.616 6.945 7.209 1.00 0.00 C ATOM 507 O ALA A 38 13.731 6.136 7.487 1.00 0.00 O ATOM 508 CB ALA A 38 16.539 6.583 5.651 1.00 0.00 C ATOM 0 H ALA A 38 15.913 8.993 5.389 1.00 0.00 H new ATOM 0 HA ALA A 38 14.465 6.498 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.583 5.546 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.860 6.645 4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.198 7.191 6.271 1.00 0.00 H new ATOM 514 N GLN A 39 15.193 7.728 8.114 1.00 0.00 N ATOM 515 CA GLN A 39 14.810 7.680 9.520 1.00 0.00 C ATOM 516 C GLN A 39 13.292 7.669 9.671 1.00 0.00 C ATOM 517 O GLN A 39 12.753 7.060 10.596 1.00 0.00 O ATOM 518 CB GLN A 39 15.400 8.875 10.272 1.00 0.00 C ATOM 519 CG GLN A 39 15.014 10.219 9.678 1.00 0.00 C ATOM 520 CD GLN A 39 15.577 11.388 10.463 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.784 11.631 10.457 1.00 0.00 O ATOM 522 NE2 GLN A 39 14.703 12.119 11.144 1.00 0.00 N ATOM 0 H GLN A 39 15.927 8.403 7.899 1.00 0.00 H new ATOM 0 HA GLN A 39 15.206 6.759 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.071 8.838 11.311 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.487 8.789 10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.369 10.273 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.927 10.298 9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.711 11.881 11.121 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.023 12.918 11.691 1.00 0.00 H new ATOM 531 N THR A 40 12.606 8.347 8.755 1.00 0.00 N ATOM 532 CA THR A 40 11.151 8.416 8.787 1.00 0.00 C ATOM 533 C THR A 40 10.532 7.027 8.689 1.00 0.00 C ATOM 534 O THR A 40 10.976 6.194 7.899 1.00 0.00 O ATOM 535 CB THR A 40 10.605 9.291 7.643 1.00 0.00 C ATOM 536 OG1 THR A 40 11.147 10.613 7.735 1.00 0.00 O ATOM 537 CG2 THR A 40 9.086 9.356 7.688 1.00 0.00 C ATOM 0 H THR A 40 13.036 8.856 7.982 1.00 0.00 H new ATOM 0 HA THR A 40 10.877 8.866 9.741 1.00 0.00 H new ATOM 0 HB THR A 40 10.905 8.841 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.680 11.203 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.724 9.980 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.676 8.351 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.768 9.784 8.639 1.00 0.00 H new ATOM 545 N GLU A 41 9.504 6.784 9.497 1.00 0.00 N ATOM 546 CA GLU A 41 8.825 5.493 9.500 1.00 0.00 C ATOM 547 C GLU A 41 7.562 5.541 8.644 1.00 0.00 C ATOM 548 O GLU A 41 7.000 6.610 8.406 1.00 0.00 O ATOM 549 CB GLU A 41 8.469 5.083 10.930 1.00 0.00 C ATOM 550 CG GLU A 41 9.561 4.288 11.625 1.00 0.00 C ATOM 551 CD GLU A 41 9.041 3.487 12.803 1.00 0.00 C ATOM 552 OE1 GLU A 41 8.096 2.693 12.610 1.00 0.00 O ATOM 553 OE2 GLU A 41 9.578 3.654 13.917 1.00 0.00 O ATOM 0 H GLU A 41 9.124 7.463 10.157 1.00 0.00 H new ATOM 0 HA GLU A 41 9.504 4.753 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.256 5.979 11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.555 4.490 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.025 3.612 10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.338 4.970 11.969 1.00 0.00 H new ATOM 560 N VAL A 42 7.123 4.374 8.182 1.00 0.00 N ATOM 561 CA VAL A 42 5.927 4.282 7.353 1.00 0.00 C ATOM 562 C VAL A 42 5.006 3.169 7.840 1.00 0.00 C ATOM 563 O VAL A 42 5.450 2.213 8.476 1.00 0.00 O ATOM 564 CB VAL A 42 6.287 4.027 5.877 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.359 5.001 5.412 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.740 2.588 5.680 1.00 0.00 C ATOM 0 H VAL A 42 7.578 3.480 8.368 1.00 0.00 H new ATOM 0 HA VAL A 42 5.410 5.238 7.434 1.00 0.00 H new ATOM 0 HB VAL A 42 5.396 4.189 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.600 4.805 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.992 6.022 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.254 4.874 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.990 2.426 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.618 2.395 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.937 1.911 5.970 1.00 0.00 H new ATOM 576 N THR A 43 3.718 3.299 7.536 1.00 0.00 N ATOM 577 CA THR A 43 2.733 2.306 7.943 1.00 0.00 C ATOM 578 C THR A 43 1.753 2.008 6.813 1.00 0.00 C ATOM 579 O THR A 43 0.918 2.844 6.468 1.00 0.00 O ATOM 580 CB THR A 43 1.944 2.771 9.182 1.00 0.00 C ATOM 581 OG1 THR A 43 2.833 2.947 10.290 1.00 0.00 O ATOM 582 CG2 THR A 43 0.865 1.763 9.546 1.00 0.00 C ATOM 0 H THR A 43 3.333 4.083 7.009 1.00 0.00 H new ATOM 0 HA THR A 43 3.284 1.399 8.192 1.00 0.00 H new ATOM 0 HB THR A 43 1.466 3.721 8.946 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.325 3.244 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.321 2.113 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.173 1.653 8.711 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.326 0.800 9.765 1.00 0.00 H new ATOM 590 N TRP A 44 1.860 0.814 6.243 1.00 0.00 N ATOM 591 CA TRP A 44 0.982 0.407 5.152 1.00 0.00 C ATOM 592 C TRP A 44 -0.467 0.329 5.619 1.00 0.00 C ATOM 593 O TRP A 44 -0.737 0.096 6.798 1.00 0.00 O ATOM 594 CB TRP A 44 1.423 -0.947 4.593 1.00 0.00 C ATOM 595 CG TRP A 44 2.771 -0.908 3.938 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.982 -1.094 4.542 1.00 0.00 C ATOM 597 CD2 TRP A 44 3.045 -0.667 2.554 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.991 -0.983 3.617 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.443 -0.722 2.389 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.245 -0.412 1.436 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.055 -0.530 1.154 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.854 -0.221 0.211 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.247 -0.282 0.077 1.00 0.00 C ATOM 0 H TRP A 44 2.546 0.111 6.518 1.00 0.00 H new ATOM 0 HA TRP A 44 1.051 1.158 4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.441 -1.678 5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.685 -1.291 3.869 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.125 -1.298 5.593 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.987 -1.079 3.813 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.170 -0.365 1.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.129 -0.575 1.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.246 -0.021 -0.659 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.692 -0.130 -0.895 1.00 0.00 H new ATOM 614 N TYR A 45 -1.395 0.527 4.690 1.00 0.00 N ATOM 615 CA TYR A 45 -2.817 0.482 5.008 1.00 0.00 C ATOM 616 C TYR A 45 -3.608 -0.173 3.879 1.00 0.00 C ATOM 617 O TYR A 45 -3.664 0.344 2.763 1.00 0.00 O ATOM 618 CB TYR A 45 -3.349 1.893 5.266 1.00 0.00 C ATOM 619 CG TYR A 45 -2.957 2.450 6.616 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.759 2.246 7.733 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.787 3.180 6.776 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.406 2.753 8.968 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.425 3.690 8.007 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.238 3.474 9.101 1.00 0.00 C ATOM 625 OH TYR A 45 -1.882 3.982 10.329 1.00 0.00 O ATOM 0 H TYR A 45 -1.188 0.720 3.710 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.942 -0.117 5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.980 2.560 4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.436 1.882 5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.674 1.681 7.633 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.148 3.352 5.922 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.041 2.586 9.825 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.511 4.255 8.113 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.032 4.463 10.250 1.00 0.00 H new ATOM 635 N LYS A 46 -4.219 -1.314 4.178 1.00 0.00 N ATOM 636 CA LYS A 46 -5.008 -2.041 3.192 1.00 0.00 C ATOM 637 C LYS A 46 -6.496 -1.752 3.365 1.00 0.00 C ATOM 638 O LYS A 46 -7.100 -2.136 4.366 1.00 0.00 O ATOM 639 CB LYS A 46 -4.753 -3.545 3.312 1.00 0.00 C ATOM 640 CG LYS A 46 -5.274 -4.347 2.131 1.00 0.00 C ATOM 641 CD LYS A 46 -5.288 -5.836 2.431 1.00 0.00 C ATOM 642 CE LYS A 46 -6.032 -6.614 1.356 1.00 0.00 C ATOM 643 NZ LYS A 46 -6.615 -7.877 1.889 1.00 0.00 N ATOM 0 H LYS A 46 -4.183 -1.755 5.097 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.703 -1.705 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.681 -3.716 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.221 -3.913 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.282 -4.016 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.650 -4.157 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.264 -6.203 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.759 -6.009 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.827 -5.993 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.350 -6.846 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.040 -8.419 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.866 -8.443 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.346 -7.652 2.593 1.00 0.00 H new ATOM 657 N ASP A 47 -7.080 -1.074 2.383 1.00 0.00 N ATOM 658 CA ASP A 47 -8.498 -0.735 2.426 1.00 0.00 C ATOM 659 C ASP A 47 -8.829 0.057 3.687 1.00 0.00 C ATOM 660 O ASP A 47 -9.861 -0.166 4.320 1.00 0.00 O ATOM 661 CB ASP A 47 -9.349 -2.004 2.369 1.00 0.00 C ATOM 662 CG ASP A 47 -10.747 -1.741 1.844 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.235 -0.602 2.002 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.353 -2.673 1.276 1.00 0.00 O ATOM 0 H ASP A 47 -6.594 -0.748 1.548 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.725 -0.115 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.857 -2.739 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.414 -2.439 3.366 1.00 0.00 H new ATOM 669 N GLY A 48 -7.946 0.984 4.047 1.00 0.00 N ATOM 670 CA GLY A 48 -8.162 1.794 5.231 1.00 0.00 C ATOM 671 C GLY A 48 -8.023 0.997 6.513 1.00 0.00 C ATOM 672 O GLY A 48 -8.728 1.250 7.490 1.00 0.00 O ATOM 0 H GLY A 48 -7.085 1.188 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.447 2.617 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.157 2.236 5.188 1.00 0.00 H new ATOM 676 N LYS A 49 -7.113 0.029 6.510 1.00 0.00 N ATOM 677 CA LYS A 49 -6.883 -0.809 7.681 1.00 0.00 C ATOM 678 C LYS A 49 -5.391 -0.972 7.949 1.00 0.00 C ATOM 679 O LYS A 49 -4.620 -1.307 7.049 1.00 0.00 O ATOM 680 CB LYS A 49 -7.530 -2.182 7.485 1.00 0.00 C ATOM 681 CG LYS A 49 -9.041 -2.128 7.336 1.00 0.00 C ATOM 682 CD LYS A 49 -9.733 -2.098 8.689 1.00 0.00 C ATOM 683 CE LYS A 49 -11.182 -1.655 8.563 1.00 0.00 C ATOM 684 NZ LYS A 49 -12.023 -2.688 7.897 1.00 0.00 N ATOM 0 H LYS A 49 -6.522 -0.195 5.709 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.337 -0.319 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.103 -2.652 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.280 -2.817 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.320 -1.243 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.383 -2.995 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.692 -3.089 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.201 -1.420 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.584 -1.443 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.230 -0.726 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.003 -2.347 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.655 -2.872 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.999 -3.567 8.453 1.00 0.00 H new ATOM 698 N LYS A 50 -4.989 -0.734 9.193 1.00 0.00 N ATOM 699 CA LYS A 50 -3.588 -0.857 9.582 1.00 0.00 C ATOM 700 C LYS A 50 -3.079 -2.275 9.340 1.00 0.00 C ATOM 701 O LYS A 50 -3.642 -3.243 9.852 1.00 0.00 O ATOM 702 CB LYS A 50 -3.412 -0.485 11.055 1.00 0.00 C ATOM 703 CG LYS A 50 -2.031 0.052 11.386 1.00 0.00 C ATOM 704 CD LYS A 50 -1.978 0.628 12.791 1.00 0.00 C ATOM 705 CE LYS A 50 -0.549 0.926 13.218 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.488 2.018 14.229 1.00 0.00 N ATOM 0 H LYS A 50 -5.613 -0.455 9.950 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.005 -0.171 8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.158 0.263 11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.607 -1.364 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.297 -0.748 11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.757 0.823 10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.570 1.543 12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.429 -0.076 13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.098 0.024 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.040 1.206 12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.503 2.191 14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.895 2.886 13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.029 1.740 15.073 1.00 0.00 H new ATOM 720 N LEU A 51 -2.010 -2.389 8.560 1.00 0.00 N ATOM 721 CA LEU A 51 -1.424 -3.689 8.252 1.00 0.00 C ATOM 722 C LEU A 51 -0.339 -4.050 9.262 1.00 0.00 C ATOM 723 O LEU A 51 0.376 -3.179 9.757 1.00 0.00 O ATOM 724 CB LEU A 51 -0.839 -3.685 6.838 1.00 0.00 C ATOM 725 CG LEU A 51 -1.852 -3.725 5.693 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.247 -3.145 4.424 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.332 -5.149 5.455 1.00 0.00 C ATOM 0 H LEU A 51 -1.531 -1.598 8.129 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.213 -4.439 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.225 -2.792 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.174 -4.543 6.739 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.711 -3.115 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.983 -3.182 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.954 -2.110 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.370 -3.727 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.052 -5.158 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.482 -5.781 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.806 -5.529 6.360 1.00 0.00 H new ATOM 739 N SER A 52 -0.221 -5.339 9.561 1.00 0.00 N ATOM 740 CA SER A 52 0.776 -5.815 10.512 1.00 0.00 C ATOM 741 C SER A 52 1.710 -6.830 9.859 1.00 0.00 C ATOM 742 O SER A 52 1.286 -7.641 9.036 1.00 0.00 O ATOM 743 CB SER A 52 0.092 -6.444 11.728 1.00 0.00 C ATOM 744 OG SER A 52 1.042 -6.824 12.708 1.00 0.00 O ATOM 0 H SER A 52 -0.804 -6.073 9.158 1.00 0.00 H new ATOM 0 HA SER A 52 1.368 -4.960 10.838 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.615 -5.735 12.158 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.482 -7.317 11.416 1.00 0.00 H new ATOM 0 HG SER A 52 0.580 -7.221 13.475 1.00 0.00 H new ATOM 750 N SER A 53 2.985 -6.777 10.232 1.00 0.00 N ATOM 751 CA SER A 53 3.981 -7.687 9.681 1.00 0.00 C ATOM 752 C SER A 53 3.749 -9.111 10.176 1.00 0.00 C ATOM 753 O SER A 53 3.965 -9.415 11.349 1.00 0.00 O ATOM 754 CB SER A 53 5.390 -7.227 10.060 1.00 0.00 C ATOM 755 OG SER A 53 5.567 -7.236 11.466 1.00 0.00 O ATOM 0 H SER A 53 3.352 -6.113 10.914 1.00 0.00 H new ATOM 0 HA SER A 53 3.883 -7.677 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.127 -7.880 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.564 -6.222 9.675 1.00 0.00 H new ATOM 0 HG SER A 53 5.192 -8.062 11.838 1.00 0.00 H new ATOM 761 N SER A 54 3.307 -9.981 9.273 1.00 0.00 N ATOM 762 CA SER A 54 3.041 -11.372 9.617 1.00 0.00 C ATOM 763 C SER A 54 3.629 -12.313 8.570 1.00 0.00 C ATOM 764 O SER A 54 4.011 -11.886 7.480 1.00 0.00 O ATOM 765 CB SER A 54 1.535 -11.609 9.744 1.00 0.00 C ATOM 766 OG SER A 54 1.057 -11.190 11.010 1.00 0.00 O ATOM 0 H SER A 54 3.126 -9.746 8.297 1.00 0.00 H new ATOM 0 HA SER A 54 3.517 -11.581 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.011 -11.067 8.957 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.317 -12.668 9.602 1.00 0.00 H new ATOM 0 HG SER A 54 0.092 -11.351 11.065 1.00 0.00 H new ATOM 772 N SER A 55 3.698 -13.597 8.909 1.00 0.00 N ATOM 773 CA SER A 55 4.243 -14.599 8.000 1.00 0.00 C ATOM 774 C SER A 55 3.723 -14.386 6.582 1.00 0.00 C ATOM 775 O SER A 55 4.363 -14.781 5.607 1.00 0.00 O ATOM 776 CB SER A 55 3.882 -16.005 8.483 1.00 0.00 C ATOM 777 OG SER A 55 4.684 -16.387 9.586 1.00 0.00 O ATOM 0 H SER A 55 3.384 -13.967 9.806 1.00 0.00 H new ATOM 0 HA SER A 55 5.328 -14.494 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.830 -16.037 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.014 -16.718 7.669 1.00 0.00 H new ATOM 0 HG SER A 55 4.432 -17.288 9.877 1.00 0.00 H new ATOM 783 N LYS A 56 2.556 -13.759 6.474 1.00 0.00 N ATOM 784 CA LYS A 56 1.948 -13.491 5.176 1.00 0.00 C ATOM 785 C LYS A 56 2.483 -12.192 4.582 1.00 0.00 C ATOM 786 O LYS A 56 2.936 -12.161 3.438 1.00 0.00 O ATOM 787 CB LYS A 56 0.426 -13.415 5.310 1.00 0.00 C ATOM 788 CG LYS A 56 -0.306 -13.487 3.980 1.00 0.00 C ATOM 789 CD LYS A 56 -1.705 -14.056 4.144 1.00 0.00 C ATOM 790 CE LYS A 56 -1.672 -15.558 4.384 1.00 0.00 C ATOM 791 NZ LYS A 56 -1.613 -16.323 3.108 1.00 0.00 N ATOM 0 H LYS A 56 2.012 -13.427 7.271 1.00 0.00 H new ATOM 0 HA LYS A 56 2.207 -14.310 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.085 -14.230 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.160 -12.485 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.366 -12.490 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.261 -14.106 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.203 -13.564 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.293 -13.842 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.807 -15.809 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.558 -15.856 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.435 -16.957 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.623 -15.661 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.739 -16.886 3.081 1.00 0.00 H new ATOM 805 N VAL A 57 2.428 -11.121 5.368 1.00 0.00 N ATOM 806 CA VAL A 57 2.909 -9.819 4.921 1.00 0.00 C ATOM 807 C VAL A 57 4.164 -9.406 5.682 1.00 0.00 C ATOM 808 O VAL A 57 4.217 -9.497 6.908 1.00 0.00 O ATOM 809 CB VAL A 57 1.833 -8.732 5.098 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.355 -7.382 4.629 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.564 -9.111 4.349 1.00 0.00 C ATOM 0 H VAL A 57 2.055 -11.130 6.317 1.00 0.00 H new ATOM 0 HA VAL A 57 3.146 -9.916 3.861 1.00 0.00 H new ATOM 0 HB VAL A 57 1.592 -8.653 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.581 -6.626 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.233 -7.108 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.626 -7.443 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.186 -8.331 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.787 -9.219 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.181 -10.055 4.737 1.00 0.00 H new ATOM 821 N ARG A 58 5.173 -8.951 4.946 1.00 0.00 N ATOM 822 CA ARG A 58 6.428 -8.524 5.551 1.00 0.00 C ATOM 823 C ARG A 58 6.759 -7.086 5.160 1.00 0.00 C ATOM 824 O ARG A 58 6.877 -6.765 3.978 1.00 0.00 O ATOM 825 CB ARG A 58 7.566 -9.454 5.126 1.00 0.00 C ATOM 826 CG ARG A 58 8.934 -9.006 5.615 1.00 0.00 C ATOM 827 CD ARG A 58 10.051 -9.623 4.788 1.00 0.00 C ATOM 828 NE ARG A 58 10.088 -11.077 4.918 1.00 0.00 N ATOM 829 CZ ARG A 58 10.682 -11.878 4.040 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.286 -11.369 2.975 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.673 -13.192 4.227 1.00 0.00 N ATOM 0 H ARG A 58 5.145 -8.869 3.930 1.00 0.00 H new ATOM 0 HA ARG A 58 6.315 -8.571 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.365 -10.456 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.582 -9.521 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.001 -7.919 5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.057 -9.286 6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.916 -9.356 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.008 -9.206 5.103 1.00 0.00 H new ATOM 0 HE ARG A 58 9.633 -11.501 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.296 -10.360 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.741 -11.987 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.210 -13.588 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.129 -13.806 3.552 1.00 0.00 H new ATOM 845 N VAL A 59 6.908 -6.225 6.162 1.00 0.00 N ATOM 846 CA VAL A 59 7.225 -4.822 5.923 1.00 0.00 C ATOM 847 C VAL A 59 8.731 -4.588 5.949 1.00 0.00 C ATOM 848 O VAL A 59 9.323 -4.408 7.013 1.00 0.00 O ATOM 849 CB VAL A 59 6.557 -3.910 6.969 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.956 -2.459 6.745 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.044 -4.069 6.924 1.00 0.00 C ATOM 0 H VAL A 59 6.814 -6.475 7.147 1.00 0.00 H new ATOM 0 HA VAL A 59 6.838 -4.573 4.935 1.00 0.00 H new ATOM 0 HB VAL A 59 6.902 -4.207 7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.474 -1.830 7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.038 -2.362 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.642 -2.145 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.587 -3.418 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.679 -3.798 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.781 -5.105 7.137 1.00 0.00 H new ATOM 861 N GLU A 60 9.346 -4.591 4.770 1.00 0.00 N ATOM 862 CA GLU A 60 10.784 -4.379 4.659 1.00 0.00 C ATOM 863 C GLU A 60 11.105 -2.894 4.509 1.00 0.00 C ATOM 864 O GLU A 60 10.450 -2.181 3.750 1.00 0.00 O ATOM 865 CB GLU A 60 11.346 -5.156 3.466 1.00 0.00 C ATOM 866 CG GLU A 60 11.788 -6.568 3.813 1.00 0.00 C ATOM 867 CD GLU A 60 12.964 -6.592 4.770 1.00 0.00 C ATOM 868 OE1 GLU A 60 14.112 -6.440 4.304 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.735 -6.763 5.986 1.00 0.00 O ATOM 0 H GLU A 60 8.871 -4.738 3.879 1.00 0.00 H new ATOM 0 HA GLU A 60 11.251 -4.744 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.588 -5.203 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.195 -4.609 3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.952 -7.108 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.058 -7.095 2.898 1.00 0.00 H new ATOM 876 N ALA A 61 12.117 -2.437 5.239 1.00 0.00 N ATOM 877 CA ALA A 61 12.526 -1.039 5.187 1.00 0.00 C ATOM 878 C ALA A 61 14.037 -0.915 5.025 1.00 0.00 C ATOM 879 O ALA A 61 14.774 -0.853 6.008 1.00 0.00 O ATOM 880 CB ALA A 61 12.066 -0.308 6.439 1.00 0.00 C ATOM 0 H ALA A 61 12.669 -3.015 5.873 1.00 0.00 H new ATOM 0 HA ALA A 61 12.055 -0.580 4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.378 0.735 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.980 -0.358 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.510 -0.776 7.317 1.00 0.00 H new ATOM 886 N VAL A 62 14.492 -0.880 3.776 1.00 0.00 N ATOM 887 CA VAL A 62 15.916 -0.763 3.485 1.00 0.00 C ATOM 888 C VAL A 62 16.290 0.674 3.139 1.00 0.00 C ATOM 889 O VAL A 62 15.742 1.262 2.208 1.00 0.00 O ATOM 890 CB VAL A 62 16.328 -1.683 2.321 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.443 -3.124 2.794 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.336 -1.568 1.173 1.00 0.00 C ATOM 0 H VAL A 62 13.895 -0.931 2.950 1.00 0.00 H new ATOM 0 HA VAL A 62 16.449 -1.067 4.386 1.00 0.00 H new ATOM 0 HB VAL A 62 17.306 -1.365 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.735 -3.759 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.195 -3.190 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.481 -3.457 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.643 -2.225 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.344 -1.858 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.309 -0.538 0.817 1.00 0.00 H new ATOM 902 N GLY A 63 17.229 1.235 3.896 1.00 0.00 N ATOM 903 CA GLY A 63 17.661 2.599 3.653 1.00 0.00 C ATOM 904 C GLY A 63 16.506 3.520 3.313 1.00 0.00 C ATOM 905 O GLY A 63 15.705 3.868 4.181 1.00 0.00 O ATOM 0 H GLY A 63 17.698 0.769 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.175 2.977 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.382 2.609 2.836 1.00 0.00 H new ATOM 909 N CYS A 64 16.422 3.918 2.049 1.00 0.00 N ATOM 910 CA CYS A 64 15.359 4.808 1.596 1.00 0.00 C ATOM 911 C CYS A 64 14.401 4.078 0.660 1.00 0.00 C ATOM 912 O CYS A 64 14.032 4.595 -0.395 1.00 0.00 O ATOM 913 CB CYS A 64 15.952 6.028 0.889 1.00 0.00 C ATOM 914 SG CYS A 64 17.050 7.021 1.927 1.00 0.00 S ATOM 0 H CYS A 64 17.077 3.639 1.319 1.00 0.00 H new ATOM 0 HA CYS A 64 14.801 5.141 2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.504 5.693 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.138 6.659 0.532 1.00 0.00 H new ATOM 0 HG CYS A 64 17.503 8.028 1.241 1.00 0.00 H new ATOM 920 N THR A 65 14.002 2.872 1.052 1.00 0.00 N ATOM 921 CA THR A 65 13.089 2.070 0.248 1.00 0.00 C ATOM 922 C THR A 65 12.229 1.169 1.126 1.00 0.00 C ATOM 923 O THR A 65 12.731 0.244 1.764 1.00 0.00 O ATOM 924 CB THR A 65 13.853 1.199 -0.768 1.00 0.00 C ATOM 925 OG1 THR A 65 14.307 2.005 -1.861 1.00 0.00 O ATOM 926 CG2 THR A 65 12.970 0.077 -1.291 1.00 0.00 C ATOM 0 H THR A 65 14.297 2.429 1.922 1.00 0.00 H new ATOM 0 HA THR A 65 12.447 2.767 -0.291 1.00 0.00 H new ATOM 0 HB THR A 65 14.712 0.758 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.164 2.952 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.531 -0.524 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.651 -0.552 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.094 0.502 -1.782 1.00 0.00 H new ATOM 934 N ARG A 66 10.929 1.446 1.155 1.00 0.00 N ATOM 935 CA ARG A 66 9.998 0.660 1.956 1.00 0.00 C ATOM 936 C ARG A 66 9.171 -0.270 1.073 1.00 0.00 C ATOM 937 O ARG A 66 8.213 0.158 0.429 1.00 0.00 O ATOM 938 CB ARG A 66 9.072 1.582 2.751 1.00 0.00 C ATOM 939 CG ARG A 66 9.805 2.684 3.498 1.00 0.00 C ATOM 940 CD ARG A 66 10.446 2.162 4.774 1.00 0.00 C ATOM 941 NE ARG A 66 11.313 3.157 5.399 1.00 0.00 N ATOM 942 CZ ARG A 66 12.579 3.353 5.050 1.00 0.00 C ATOM 943 NH1 ARG A 66 13.124 2.626 4.084 1.00 0.00 N ATOM 944 NH2 ARG A 66 13.303 4.279 5.666 1.00 0.00 N ATOM 0 H ARG A 66 10.497 2.209 0.633 1.00 0.00 H new ATOM 0 HA ARG A 66 10.579 0.052 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.351 2.034 2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.505 0.985 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.572 3.113 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.108 3.486 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.667 1.868 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.026 1.267 4.548 1.00 0.00 H new ATOM 0 HE ARG A 66 10.924 3.734 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.570 1.914 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.097 2.779 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.887 4.841 6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.275 4.429 5.397 1.00 0.00 H new ATOM 958 N ARG A 67 9.549 -1.544 1.047 1.00 0.00 N ATOM 959 CA ARG A 67 8.844 -2.534 0.241 1.00 0.00 C ATOM 960 C ARG A 67 7.976 -3.430 1.119 1.00 0.00 C ATOM 961 O ARG A 67 8.319 -3.713 2.268 1.00 0.00 O ATOM 962 CB ARG A 67 9.841 -3.385 -0.547 1.00 0.00 C ATOM 963 CG ARG A 67 10.625 -4.360 0.315 1.00 0.00 C ATOM 964 CD ARG A 67 11.758 -5.007 -0.465 1.00 0.00 C ATOM 965 NE ARG A 67 11.323 -6.216 -1.161 1.00 0.00 N ATOM 966 CZ ARG A 67 12.156 -7.162 -1.580 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.460 -7.041 -1.375 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.684 -8.233 -2.206 1.00 0.00 N ATOM 0 H ARG A 67 10.339 -1.915 1.575 1.00 0.00 H new ATOM 0 HA ARG A 67 8.198 -2.004 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.303 -3.943 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.540 -2.726 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.030 -3.837 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.955 -5.132 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.153 -4.294 -1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.572 -5.254 0.216 1.00 0.00 H new ATOM 0 HE ARG A 67 10.326 -6.340 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.827 -6.220 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.097 -7.769 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.681 -8.330 -2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.324 -8.959 -2.528 1.00 0.00 H new ATOM 982 N LEU A 68 6.851 -3.875 0.572 1.00 0.00 N ATOM 983 CA LEU A 68 5.932 -4.740 1.305 1.00 0.00 C ATOM 984 C LEU A 68 5.685 -6.039 0.545 1.00 0.00 C ATOM 985 O LEU A 68 4.917 -6.072 -0.417 1.00 0.00 O ATOM 986 CB LEU A 68 4.606 -4.018 1.549 1.00 0.00 C ATOM 987 CG LEU A 68 3.609 -4.736 2.460 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.835 -4.344 3.912 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.181 -4.424 2.037 1.00 0.00 C ATOM 0 H LEU A 68 6.552 -3.651 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 68 6.388 -4.983 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.822 -3.040 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.127 -3.844 0.585 1.00 0.00 H new ATOM 0 HG LEU A 68 3.768 -5.810 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.117 -4.864 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.847 -4.618 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.704 -3.268 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.485 -4.943 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.009 -3.350 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.025 -4.756 1.010 1.00 0.00 H new ATOM 1001 N VAL A 69 6.338 -7.110 0.986 1.00 0.00 N ATOM 1002 CA VAL A 69 6.186 -8.413 0.350 1.00 0.00 C ATOM 1003 C VAL A 69 4.928 -9.121 0.840 1.00 0.00 C ATOM 1004 O VAL A 69 4.783 -9.398 2.031 1.00 0.00 O ATOM 1005 CB VAL A 69 7.407 -9.314 0.618 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.283 -10.622 -0.147 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.693 -8.591 0.250 1.00 0.00 C ATOM 0 H VAL A 69 6.977 -7.101 1.781 1.00 0.00 H new ATOM 0 HA VAL A 69 6.104 -8.234 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 69 7.440 -9.546 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.154 -11.245 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.381 -11.145 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.225 -10.414 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.545 -9.242 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.673 -8.328 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.784 -7.684 0.848 1.00 0.00 H new ATOM 1017 N VAL A 70 4.020 -9.411 -0.086 1.00 0.00 N ATOM 1018 CA VAL A 70 2.774 -10.088 0.252 1.00 0.00 C ATOM 1019 C VAL A 70 2.827 -11.562 -0.134 1.00 0.00 C ATOM 1020 O VAL A 70 2.526 -11.927 -1.270 1.00 0.00 O ATOM 1021 CB VAL A 70 1.570 -9.429 -0.447 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.304 -10.237 -0.206 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.396 -7.996 0.030 1.00 0.00 C ATOM 0 H VAL A 70 4.124 -9.188 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 70 2.650 -10.002 1.332 1.00 0.00 H new ATOM 0 HB VAL A 70 1.761 -9.410 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.536 -9.756 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.434 -11.244 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.105 -10.291 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.541 -7.546 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.227 -7.989 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.295 -7.424 -0.200 1.00 0.00 H new ATOM 1033 N GLN A 71 3.212 -12.405 0.819 1.00 0.00 N ATOM 1034 CA GLN A 71 3.306 -13.840 0.578 1.00 0.00 C ATOM 1035 C GLN A 71 1.928 -14.437 0.311 1.00 0.00 C ATOM 1036 O GLN A 71 0.936 -14.023 0.909 1.00 0.00 O ATOM 1037 CB GLN A 71 3.954 -14.538 1.774 1.00 0.00 C ATOM 1038 CG GLN A 71 5.248 -13.885 2.232 1.00 0.00 C ATOM 1039 CD GLN A 71 6.161 -14.848 2.966 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.739 -15.930 3.375 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.419 -14.459 3.135 1.00 0.00 N ATOM 0 H GLN A 71 3.464 -12.119 1.765 1.00 0.00 H new ATOM 0 HA GLN A 71 3.927 -13.996 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.248 -14.548 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.154 -15.577 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.773 -13.481 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.015 -13.043 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.725 -13.553 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.080 -15.066 3.621 1.00 0.00 H new ATOM 1050 N GLN A 72 1.876 -15.412 -0.592 1.00 0.00 N ATOM 1051 CA GLN A 72 0.620 -16.065 -0.938 1.00 0.00 C ATOM 1052 C GLN A 72 -0.447 -15.037 -1.299 1.00 0.00 C ATOM 1053 O GLN A 72 -1.561 -15.074 -0.778 1.00 0.00 O ATOM 1054 CB GLN A 72 0.135 -16.934 0.223 1.00 0.00 C ATOM 1055 CG GLN A 72 0.842 -18.277 0.316 1.00 0.00 C ATOM 1056 CD GLN A 72 0.701 -18.918 1.682 1.00 0.00 C ATOM 1057 OE1 GLN A 72 1.007 -18.303 2.704 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.234 -20.161 1.707 1.00 0.00 N ATOM 0 H GLN A 72 2.689 -15.766 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 72 0.797 -16.698 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.280 -16.391 1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.936 -17.104 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.437 -18.950 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.900 -18.143 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.007 -20.633 0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.116 -20.644 2.598 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.098 -14.119 -2.195 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.026 -13.081 -2.626 1.00 0.00 C ATOM 1069 C ALA A 73 -2.238 -13.685 -3.327 1.00 0.00 C ATOM 1070 O ALA A 73 -2.151 -14.118 -4.476 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.322 -12.092 -3.544 1.00 0.00 C ATOM 0 H ALA A 73 0.821 -14.073 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.377 -12.552 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.027 -11.322 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.508 -11.628 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.058 -12.616 -4.421 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.368 -13.712 -2.628 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.581 -14.267 -3.199 1.00 0.00 C ATOM 1079 C GLY A 74 -5.641 -13.211 -3.445 1.00 0.00 C ATOM 1080 O GLY A 74 -5.492 -12.064 -3.026 1.00 0.00 O ATOM 0 H GLY A 74 -3.465 -13.359 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.342 -14.764 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.979 -15.028 -2.528 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.714 -13.600 -4.127 1.00 0.00 N ATOM 1085 CA GLN A 75 -7.801 -12.677 -4.430 1.00 0.00 C ATOM 1086 C GLN A 75 -8.120 -11.797 -3.226 1.00 0.00 C ATOM 1087 O GLN A 75 -8.447 -10.620 -3.374 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.050 -13.450 -4.857 1.00 0.00 C ATOM 1089 CG GLN A 75 -8.814 -14.391 -6.027 1.00 0.00 C ATOM 1090 CD GLN A 75 -8.209 -13.689 -7.227 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -7.295 -14.208 -7.868 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.718 -12.503 -7.538 1.00 0.00 N ATOM 0 H GLN A 75 -6.853 -14.547 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.481 -12.035 -5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.419 -14.025 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.832 -12.740 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.153 -15.198 -5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.760 -14.848 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.475 -12.111 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.352 -11.984 -8.336 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.022 -12.376 -2.034 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.298 -11.644 -0.804 1.00 0.00 C ATOM 1103 C ALA A 76 -7.272 -10.540 -0.580 1.00 0.00 C ATOM 1104 O ALA A 76 -7.627 -9.405 -0.262 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.320 -12.596 0.383 1.00 0.00 C ATOM 0 H ALA A 76 -7.753 -13.350 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.279 -11.178 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.527 -12.036 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.097 -13.346 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.352 -13.089 0.472 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.997 -10.879 -0.748 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.920 -9.915 -0.562 1.00 0.00 C ATOM 1113 C GLU A 77 -5.011 -8.792 -1.592 1.00 0.00 C ATOM 1114 O GLU A 77 -4.437 -7.719 -1.408 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.560 -10.609 -0.668 1.00 0.00 C ATOM 1116 CG GLU A 77 -3.049 -11.150 0.657 1.00 0.00 C ATOM 1117 CD GLU A 77 -4.084 -11.985 1.385 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -5.055 -11.402 1.910 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.923 -13.223 1.428 1.00 0.00 O ATOM 0 H GLU A 77 -5.686 -11.814 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.023 -9.482 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.635 -11.430 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.832 -9.904 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.160 -11.755 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.747 -10.318 1.293 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.736 -9.049 -2.675 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.904 -8.060 -3.734 1.00 0.00 C ATOM 1128 C ALA A 78 -6.800 -6.914 -3.277 1.00 0.00 C ATOM 1129 O ALA A 78 -7.888 -7.136 -2.747 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.478 -8.715 -4.981 1.00 0.00 C ATOM 0 H ALA A 78 -6.217 -9.933 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.923 -7.648 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.598 -7.965 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.800 -9.495 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.448 -9.154 -4.748 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.334 -5.686 -3.484 1.00 0.00 N ATOM 1137 CA GLY A 79 -7.105 -4.522 -3.087 1.00 0.00 C ATOM 1138 C GLY A 79 -6.389 -3.221 -3.389 1.00 0.00 C ATOM 1139 O GLY A 79 -6.158 -2.888 -4.551 1.00 0.00 O ATOM 0 H GLY A 79 -5.436 -5.476 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.065 -4.533 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.316 -4.577 -2.019 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.038 -2.483 -2.340 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.346 -1.210 -2.500 1.00 0.00 C ATOM 1145 C GLU A 80 -4.522 -0.878 -1.259 1.00 0.00 C ATOM 1146 O GLU A 80 -5.070 -0.536 -0.211 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.351 -0.089 -2.774 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.788 -0.005 -4.227 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.706 1.173 -4.492 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -8.762 1.263 -3.833 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -7.366 2.005 -5.360 1.00 0.00 O ATOM 0 H GLU A 80 -6.222 -2.745 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.670 -1.298 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.230 -0.239 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.909 0.863 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.907 0.075 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.298 -0.928 -4.503 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.204 -0.982 -1.386 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.305 -0.696 -0.274 1.00 0.00 C ATOM 1160 C TYR A 81 -1.812 0.747 -0.329 1.00 0.00 C ATOM 1161 O TYR A 81 -1.430 1.244 -1.388 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.113 -1.655 -0.296 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.481 -3.085 0.027 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.347 -3.801 -0.790 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -0.963 -3.720 1.149 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.687 -5.109 -0.498 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.296 -5.027 1.447 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.159 -5.717 0.621 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.494 -7.019 0.915 1.00 0.00 O ATOM 0 H TYR A 81 -2.734 -1.262 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.859 -0.836 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.649 -1.622 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.367 -1.310 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.762 -3.328 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.289 -3.183 1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.362 -5.651 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.883 -5.506 2.322 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.123 -7.355 0.243 1.00 0.00 H new ATOM 1179 N SER A 82 -1.824 1.414 0.821 1.00 0.00 N ATOM 1180 CA SER A 82 -1.381 2.800 0.905 1.00 0.00 C ATOM 1181 C SER A 82 -0.283 2.958 1.952 1.00 0.00 C ATOM 1182 O SER A 82 -0.503 2.716 3.139 1.00 0.00 O ATOM 1183 CB SER A 82 -2.560 3.714 1.245 1.00 0.00 C ATOM 1184 OG SER A 82 -3.632 3.522 0.338 1.00 0.00 O ATOM 0 H SER A 82 -2.136 1.016 1.707 1.00 0.00 H new ATOM 0 HA SER A 82 -0.976 3.085 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.899 3.513 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.237 4.755 1.217 1.00 0.00 H new ATOM 0 HG SER A 82 -4.374 4.116 0.578 1.00 0.00 H new ATOM 1190 N CYS A 83 0.900 3.364 1.503 1.00 0.00 N ATOM 1191 CA CYS A 83 2.034 3.553 2.400 1.00 0.00 C ATOM 1192 C CYS A 83 1.961 4.912 3.090 1.00 0.00 C ATOM 1193 O CYS A 83 2.419 5.918 2.550 1.00 0.00 O ATOM 1194 CB CYS A 83 3.348 3.430 1.627 1.00 0.00 C ATOM 1195 SG CYS A 83 4.815 3.857 2.593 1.00 0.00 S ATOM 0 H CYS A 83 1.098 3.568 0.524 1.00 0.00 H new ATOM 0 HA CYS A 83 1.996 2.776 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.450 2.407 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.303 4.076 0.750 1.00 0.00 H new ATOM 0 HG CYS A 83 5.883 3.578 1.906 1.00 0.00 H new ATOM 1201 N GLU A 84 1.380 4.932 4.286 1.00 0.00 N ATOM 1202 CA GLU A 84 1.245 6.167 5.048 1.00 0.00 C ATOM 1203 C GLU A 84 2.546 6.506 5.771 1.00 0.00 C ATOM 1204 O GLU A 84 3.336 5.620 6.095 1.00 0.00 O ATOM 1205 CB GLU A 84 0.103 6.047 6.059 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.572 7.371 6.375 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.367 7.327 7.666 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -0.784 6.961 8.709 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -2.570 7.657 7.634 1.00 0.00 O ATOM 0 H GLU A 84 0.996 4.107 4.747 1.00 0.00 H new ATOM 0 HA GLU A 84 1.018 6.972 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.642 5.352 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.490 5.617 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.184 8.153 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.235 7.642 5.553 1.00 0.00 H new ATOM 1216 N ALA A 85 2.760 7.794 6.020 1.00 0.00 N ATOM 1217 CA ALA A 85 3.962 8.250 6.705 1.00 0.00 C ATOM 1218 C ALA A 85 3.907 9.750 6.972 1.00 0.00 C ATOM 1219 O ALA A 85 4.036 10.559 6.055 1.00 0.00 O ATOM 1220 CB ALA A 85 5.199 7.902 5.889 1.00 0.00 C ATOM 0 H ALA A 85 2.116 8.540 5.757 1.00 0.00 H new ATOM 0 HA ALA A 85 4.018 7.739 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.090 8.249 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.254 6.822 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.140 8.386 4.914 1.00 0.00 H new ATOM 1226 N GLY A 86 3.713 10.115 8.236 1.00 0.00 N ATOM 1227 CA GLY A 86 3.642 11.518 8.601 1.00 0.00 C ATOM 1228 C GLY A 86 2.300 12.137 8.267 1.00 0.00 C ATOM 1229 O GLY A 86 1.377 12.110 9.080 1.00 0.00 O ATOM 0 H GLY A 86 3.604 9.464 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.831 11.622 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.430 12.065 8.083 1.00 0.00 H new ATOM 1233 N GLY A 87 2.190 12.698 7.067 1.00 0.00 N ATOM 1234 CA GLY A 87 0.947 13.321 6.650 1.00 0.00 C ATOM 1235 C GLY A 87 0.586 12.990 5.215 1.00 0.00 C ATOM 1236 O GLY A 87 -0.385 13.519 4.676 1.00 0.00 O ATOM 0 H GLY A 87 2.939 12.732 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.142 12.995 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.031 14.402 6.760 1.00 0.00 H new ATOM 1240 N GLN A 88 1.371 12.113 4.596 1.00 0.00 N ATOM 1241 CA GLN A 88 1.129 11.715 3.214 1.00 0.00 C ATOM 1242 C GLN A 88 1.051 10.197 3.091 1.00 0.00 C ATOM 1243 O GLN A 88 1.425 9.471 4.012 1.00 0.00 O ATOM 1244 CB GLN A 88 2.234 12.257 2.305 1.00 0.00 C ATOM 1245 CG GLN A 88 2.244 13.773 2.197 1.00 0.00 C ATOM 1246 CD GLN A 88 3.180 14.275 1.115 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.824 13.487 0.422 1.00 0.00 O ATOM 1248 NE2 GLN A 88 3.259 15.592 0.965 1.00 0.00 N ATOM 0 H GLN A 88 2.179 11.665 5.029 1.00 0.00 H new ATOM 0 HA GLN A 88 0.173 12.136 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.200 11.922 2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.115 11.831 1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.233 14.125 1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.540 14.200 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.707 16.207 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.872 15.988 0.253 1.00 0.00 H new ATOM 1257 N GLN A 89 0.563 9.726 1.948 1.00 0.00 N ATOM 1258 CA GLN A 89 0.436 8.293 1.706 1.00 0.00 C ATOM 1259 C GLN A 89 0.132 8.015 0.237 1.00 0.00 C ATOM 1260 O GLN A 89 -0.796 8.587 -0.335 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.665 7.702 2.588 1.00 0.00 C ATOM 1262 CG GLN A 89 -2.067 8.119 2.173 1.00 0.00 C ATOM 1263 CD GLN A 89 -3.052 8.081 3.325 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.165 7.077 4.028 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.772 9.179 3.525 1.00 0.00 N ATOM 0 H GLN A 89 0.249 10.314 1.176 1.00 0.00 H new ATOM 0 HA GLN A 89 1.386 7.821 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.596 6.615 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.495 8.007 3.620 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.035 9.127 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.418 7.461 1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.646 9.989 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.451 9.212 4.286 1.00 0.00 H new ATOM 1274 N LEU A 90 0.920 7.133 -0.367 1.00 0.00 N ATOM 1275 CA LEU A 90 0.736 6.778 -1.770 1.00 0.00 C ATOM 1276 C LEU A 90 -0.271 5.642 -1.917 1.00 0.00 C ATOM 1277 O LEU A 90 -0.746 5.088 -0.925 1.00 0.00 O ATOM 1278 CB LEU A 90 2.073 6.373 -2.394 1.00 0.00 C ATOM 1279 CG LEU A 90 3.224 7.364 -2.216 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.560 6.637 -2.214 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.192 8.421 -3.310 1.00 0.00 C ATOM 0 H LEU A 90 1.692 6.650 0.092 1.00 0.00 H new ATOM 0 HA LEU A 90 0.348 7.653 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.375 5.416 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.919 6.213 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 90 3.103 7.862 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.367 7.359 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.582 5.919 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.690 6.112 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.018 9.117 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.287 7.940 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.248 8.964 -3.264 1.00 0.00 H new ATOM 1293 N SER A 91 -0.590 5.298 -3.161 1.00 0.00 N ATOM 1294 CA SER A 91 -1.542 4.228 -3.437 1.00 0.00 C ATOM 1295 C SER A 91 -0.884 3.110 -4.239 1.00 0.00 C ATOM 1296 O SER A 91 -0.048 3.361 -5.107 1.00 0.00 O ATOM 1297 CB SER A 91 -2.749 4.776 -4.201 1.00 0.00 C ATOM 1298 OG SER A 91 -2.982 6.137 -3.878 1.00 0.00 O ATOM 0 H SER A 91 -0.204 5.744 -3.993 1.00 0.00 H new ATOM 0 HA SER A 91 -1.878 3.819 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.580 4.677 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.633 4.186 -3.962 1.00 0.00 H new ATOM 0 HG SER A 91 -3.757 6.464 -4.380 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.268 1.873 -3.942 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.715 0.714 -4.634 1.00 0.00 C ATOM 1306 C PHE A 92 -1.786 -0.351 -4.852 1.00 0.00 C ATOM 1307 O PHE A 92 -2.192 -1.040 -3.915 1.00 0.00 O ATOM 1308 CB PHE A 92 0.450 0.125 -3.836 1.00 0.00 C ATOM 1309 CG PHE A 92 1.702 0.952 -3.905 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.873 2.045 -3.070 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.708 0.637 -4.804 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.024 2.808 -3.132 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.861 1.396 -4.870 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.019 2.482 -4.032 1.00 0.00 C ATOM 0 H PHE A 92 -1.960 1.647 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.351 1.043 -5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.150 0.021 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.665 -0.877 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.098 2.303 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.590 -0.212 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.145 3.658 -2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.637 1.140 -5.576 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.920 3.076 -4.080 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.240 -0.479 -6.094 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.265 -1.458 -6.436 1.00 0.00 C ATOM 1326 C ARG A 93 -2.645 -2.829 -6.690 1.00 0.00 C ATOM 1327 O ARG A 93 -1.935 -3.028 -7.676 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.044 -1.002 -7.671 1.00 0.00 C ATOM 1329 CG ARG A 93 -4.999 -2.054 -8.212 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.371 -1.946 -7.565 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.113 -0.783 -8.045 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.586 -0.674 -9.281 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.397 -1.652 -10.157 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.252 0.416 -9.644 1.00 0.00 N ATOM 0 H ARG A 93 -1.914 0.083 -6.880 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.950 -1.539 -5.592 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.609 -0.104 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.338 -0.727 -8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.095 -1.939 -9.292 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.588 -3.047 -8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.942 -2.851 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.257 -1.882 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.277 -0.013 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.887 -2.491 -9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.762 -1.565 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.400 1.170 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.615 0.499 -10.594 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.917 -3.770 -5.793 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.385 -5.123 -5.919 1.00 0.00 C ATOM 1350 C LEU A 94 -3.406 -6.051 -6.570 1.00 0.00 C ATOM 1351 O LEU A 94 -4.456 -6.334 -5.996 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.989 -5.667 -4.545 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.716 -7.169 -4.471 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.514 -7.536 -5.328 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.495 -7.600 -3.028 1.00 0.00 C ATOM 0 H LEU A 94 -3.502 -3.622 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.501 -5.081 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.096 -5.139 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.784 -5.427 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.588 -7.697 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.335 -8.609 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.710 -7.263 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.365 -6.999 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.302 -8.672 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.640 -7.064 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.384 -7.373 -2.440 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.087 -6.522 -7.772 1.00 0.00 N ATOM 1368 CA GLN A 95 -3.976 -7.419 -8.500 1.00 0.00 C ATOM 1369 C GLN A 95 -3.528 -8.869 -8.352 1.00 0.00 C ATOM 1370 O GLN A 95 -2.336 -9.151 -8.231 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.021 -7.036 -9.981 1.00 0.00 C ATOM 1372 CG GLN A 95 -4.927 -5.851 -10.275 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.502 -5.085 -11.513 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -3.823 -5.624 -12.388 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -4.901 -3.821 -11.593 1.00 0.00 N ATOM 0 H GLN A 95 -2.221 -6.297 -8.261 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.975 -7.321 -8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.011 -6.803 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.361 -7.895 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.950 -6.204 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.928 -5.178 -9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.463 -3.415 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.646 -3.256 -12.403 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.491 -9.785 -8.361 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.195 -11.207 -8.228 1.00 0.00 C ATOM 1386 C VAL A 96 -4.836 -12.009 -9.354 1.00 0.00 C ATOM 1387 O VAL A 96 -6.039 -11.908 -9.595 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.685 -11.758 -6.876 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.406 -13.249 -6.774 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -4.033 -11.005 -5.726 1.00 0.00 C ATOM 0 H VAL A 96 -5.483 -9.568 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.111 -11.312 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.763 -11.610 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.759 -13.620 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.925 -13.772 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.334 -13.425 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.391 -11.407 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.951 -11.119 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.290 -9.948 -5.791 1.00 0.00 H new ATOM 1400 N ALA A 97 -4.025 -12.808 -10.040 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.514 -13.630 -11.140 1.00 0.00 C ATOM 1402 C ALA A 97 -5.375 -14.779 -10.626 1.00 0.00 C ATOM 1403 O ALA A 97 -5.438 -15.030 -9.423 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.347 -14.167 -11.956 1.00 0.00 C ATOM 0 H ALA A 97 -3.027 -12.903 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.135 -13.004 -11.781 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.726 -14.779 -12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.773 -13.334 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.705 -14.773 -11.317 1.00 0.00 H new ATOM 1410 N GLY A 98 -6.038 -15.473 -11.546 1.00 0.00 N ATOM 1411 CA GLY A 98 -6.888 -16.586 -11.165 1.00 0.00 C ATOM 1412 C GLY A 98 -6.173 -17.582 -10.273 1.00 0.00 C ATOM 1413 O GLY A 98 -4.944 -17.620 -10.235 1.00 0.00 O ATOM 0 H GLY A 98 -6.002 -15.285 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.769 -16.206 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.240 -17.094 -12.063 1.00 0.00 H new ATOM 1417 N GLN A 99 -6.946 -18.388 -9.551 1.00 0.00 N ATOM 1418 CA GLN A 99 -6.378 -19.387 -8.653 1.00 0.00 C ATOM 1419 C GLN A 99 -5.631 -20.461 -9.436 1.00 0.00 C ATOM 1420 O GLN A 99 -6.240 -21.261 -10.147 1.00 0.00 O ATOM 1421 CB GLN A 99 -7.480 -20.028 -7.808 1.00 0.00 C ATOM 1422 CG GLN A 99 -8.268 -19.029 -6.975 1.00 0.00 C ATOM 1423 CD GLN A 99 -8.867 -19.651 -5.730 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -9.804 -20.447 -5.809 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -8.329 -19.292 -4.570 1.00 0.00 N ATOM 0 H GLN A 99 -7.966 -18.369 -9.570 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.669 -18.886 -7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.166 -20.561 -8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.033 -20.769 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.614 -18.206 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.066 -18.604 -7.584 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.554 -18.629 -4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.691 -19.679 -3.698 1.00 0.00 H new ATOM 1434 N CYS A 100 -4.310 -20.474 -9.300 1.00 0.00 N ATOM 1435 CA CYS A 100 -3.479 -21.450 -9.996 1.00 0.00 C ATOM 1436 C CYS A 100 -3.887 -22.872 -9.627 1.00 0.00 C ATOM 1437 O CYS A 100 -4.718 -23.082 -8.744 1.00 0.00 O ATOM 1438 CB CYS A 100 -2.004 -21.226 -9.661 1.00 0.00 C ATOM 1439 SG CYS A 100 -1.577 -21.572 -7.938 1.00 0.00 S ATOM 0 H CYS A 100 -3.791 -19.820 -8.714 1.00 0.00 H new ATOM 0 HA CYS A 100 -3.624 -21.316 -11.068 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -1.396 -21.857 -10.309 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -1.744 -20.192 -9.888 1.00 0.00 H new ATOM 0 HG CYS A 100 -1.362 -20.454 -7.311 1.00 0.00 H new ATOM 1445 N PHE A 101 -3.297 -23.848 -10.310 1.00 0.00 N ATOM 1446 CA PHE A 101 -3.601 -25.251 -10.057 1.00 0.00 C ATOM 1447 C PHE A 101 -2.888 -25.743 -8.800 1.00 0.00 C ATOM 1448 O PHE A 101 -1.929 -25.128 -8.336 1.00 0.00 O ATOM 1449 CB PHE A 101 -3.193 -26.108 -11.257 1.00 0.00 C ATOM 1450 CG PHE A 101 -3.937 -27.410 -11.344 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -5.200 -27.465 -11.913 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -3.375 -28.579 -10.857 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -5.887 -28.661 -11.995 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -4.057 -29.778 -10.937 1.00 0.00 C ATOM 1455 CZ PHE A 101 -5.315 -29.819 -11.505 1.00 0.00 C ATOM 0 H PHE A 101 -2.605 -23.692 -11.043 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.676 -25.342 -9.904 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.361 -25.541 -12.172 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.124 -26.313 -11.201 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.652 -26.562 -12.297 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.392 -28.553 -10.410 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.870 -28.690 -12.442 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.607 -30.682 -10.556 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.851 -30.755 -11.566 1.00 0.00 H new ATOM 1465 N GLY A 102 -3.365 -26.858 -8.255 1.00 0.00 N ATOM 1466 CA GLY A 102 -2.763 -27.414 -7.057 1.00 0.00 C ATOM 1467 C GLY A 102 -2.833 -26.464 -5.878 1.00 0.00 C ATOM 1468 O GLY A 102 -3.509 -26.742 -4.888 1.00 0.00 O ATOM 0 H GLY A 102 -4.157 -27.386 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.267 -28.345 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.721 -27.661 -7.259 1.00 0.00 H new TER 1472 GLY A 102