USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 313 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 8 THR OG1 : rot 180:sc= 0.32 USER MOD Set 1.2: A 11 GLN : amide:sc= -0.814 K(o=-0.49,f=-7.2!) USER MOD Single : A 4 TYR OH : rot -23:sc= 0.00807 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 13 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0496) USER MOD Single : A 17 THR OG1 : rot 61:sc= 0.7 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.019) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.314 9.042 3.939 1.00 0.00 N ATOM 25 CA ASP A 3 -0.209 8.728 4.838 1.00 0.00 C ATOM 26 C ASP A 3 0.667 7.621 4.261 1.00 0.00 C ATOM 27 O ASP A 3 1.864 7.558 4.537 1.00 0.00 O ATOM 28 CB ASP A 3 -0.745 8.310 6.209 1.00 0.00 C ATOM 29 CG ASP A 3 0.069 8.889 7.350 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.471 9.732 8.097 1.00 0.00 O ATOM 31 OD2 ASP A 3 1.247 8.501 7.495 1.00 0.00 O ATOM 0 HA ASP A 3 0.401 9.624 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.781 8.634 6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.743 7.222 6.280 1.00 0.00 H new ATOM 36 N TYR A 4 0.062 6.750 3.459 1.00 0.00 N ATOM 37 CA TYR A 4 0.788 5.644 2.843 1.00 0.00 C ATOM 38 C TYR A 4 1.960 6.157 2.011 1.00 0.00 C ATOM 39 O TYR A 4 3.086 5.674 2.141 1.00 0.00 O ATOM 40 CB TYR A 4 -0.151 4.817 1.963 1.00 0.00 C ATOM 41 CG TYR A 4 -1.325 4.229 2.713 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.621 4.656 2.456 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.136 3.248 3.678 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.697 4.122 3.139 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.206 2.708 4.365 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.484 3.149 4.093 1.00 0.00 C ATOM 47 OH TYR A 4 -4.553 2.614 4.775 1.00 0.00 O ATOM 0 H TYR A 4 -0.929 6.789 3.220 1.00 0.00 H new ATOM 0 HA TYR A 4 1.180 5.012 3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.525 5.446 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.416 4.009 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.791 5.418 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.136 2.902 3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.699 4.465 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.042 1.945 5.111 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.303 3.245 4.754 1.00 0.00 H new ATOM 57 N SER A 5 1.687 7.139 1.159 1.00 0.00 N ATOM 58 CA SER A 5 2.717 7.720 0.305 1.00 0.00 C ATOM 59 C SER A 5 3.858 8.299 1.139 1.00 0.00 C ATOM 60 O SER A 5 4.985 8.428 0.659 1.00 0.00 O ATOM 61 CB SER A 5 2.116 8.810 -0.584 1.00 0.00 C ATOM 62 OG SER A 5 2.631 8.737 -1.901 1.00 0.00 O ATOM 0 H SER A 5 0.761 7.550 1.041 1.00 0.00 H new ATOM 0 HA SER A 5 3.120 6.927 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.031 8.706 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.333 9.790 -0.159 1.00 0.00 H new ATOM 0 HG SER A 5 2.229 9.443 -2.449 1.00 0.00 H new ATOM 68 N SER A 6 3.559 8.647 2.387 1.00 0.00 N ATOM 69 CA SER A 6 4.561 9.214 3.283 1.00 0.00 C ATOM 70 C SER A 6 5.478 8.128 3.845 1.00 0.00 C ATOM 71 O SER A 6 6.588 8.414 4.292 1.00 0.00 O ATOM 72 CB SER A 6 3.882 9.965 4.429 1.00 0.00 C ATOM 73 OG SER A 6 4.721 10.988 4.937 1.00 0.00 O ATOM 0 H SER A 6 2.632 8.546 2.800 1.00 0.00 H new ATOM 0 HA SER A 6 5.169 9.911 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.945 10.399 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.631 9.267 5.227 1.00 0.00 H new ATOM 0 HG SER A 6 4.263 11.454 5.668 1.00 0.00 H new ATOM 79 N LEU A 7 5.008 6.884 3.821 1.00 0.00 N ATOM 80 CA LEU A 7 5.794 5.764 4.330 1.00 0.00 C ATOM 81 C LEU A 7 6.803 5.290 3.292 1.00 0.00 C ATOM 82 O LEU A 7 6.628 5.510 2.093 1.00 0.00 O ATOM 83 CB LEU A 7 4.879 4.604 4.732 1.00 0.00 C ATOM 84 CG LEU A 7 3.545 5.012 5.360 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.701 3.784 5.662 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.779 5.824 6.626 1.00 0.00 C ATOM 0 H LEU A 7 4.091 6.627 3.456 1.00 0.00 H new ATOM 0 HA LEU A 7 6.337 6.110 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.676 4.000 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.414 3.968 5.437 1.00 0.00 H new ATOM 0 HG LEU A 7 3.004 5.634 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.756 4.093 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.505 3.241 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.236 3.137 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.820 6.106 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.340 5.225 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.345 6.723 6.382 1.00 0.00 H new ATOM 98 N THR A 8 7.859 4.635 3.760 1.00 0.00 N ATOM 99 CA THR A 8 8.898 4.123 2.875 1.00 0.00 C ATOM 100 C THR A 8 8.406 2.895 2.120 1.00 0.00 C ATOM 101 O THR A 8 7.349 2.346 2.431 1.00 0.00 O ATOM 102 CB THR A 8 10.150 3.763 3.676 1.00 0.00 C ATOM 103 OG1 THR A 8 9.982 2.517 4.331 1.00 0.00 O ATOM 104 CG2 THR A 8 10.507 4.792 4.728 1.00 0.00 C ATOM 0 H THR A 8 8.018 4.446 4.750 1.00 0.00 H new ATOM 0 HA THR A 8 9.144 4.904 2.156 1.00 0.00 H new ATOM 0 HB THR A 8 10.959 3.721 2.946 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.793 2.302 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.404 4.474 5.258 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.690 5.754 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.683 4.890 5.435 1.00 0.00 H new ATOM 112 N VAL A 9 9.180 2.460 1.132 1.00 0.00 N ATOM 113 CA VAL A 9 8.819 1.288 0.347 1.00 0.00 C ATOM 114 C VAL A 9 8.724 0.060 1.242 1.00 0.00 C ATOM 115 O VAL A 9 7.806 -0.749 1.110 1.00 0.00 O ATOM 116 CB VAL A 9 9.839 1.020 -0.777 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.373 -0.124 -1.665 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.070 2.280 -1.600 1.00 0.00 C ATOM 0 H VAL A 9 10.058 2.900 0.857 1.00 0.00 H new ATOM 0 HA VAL A 9 7.849 1.489 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 9 10.785 0.731 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.108 -0.296 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.264 -1.028 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.413 0.132 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.793 2.072 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.129 2.601 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.454 3.070 -0.955 1.00 0.00 H new ATOM 128 N VAL A 10 9.673 -0.065 2.164 1.00 0.00 N ATOM 129 CA VAL A 10 9.689 -1.185 3.094 1.00 0.00 C ATOM 130 C VAL A 10 8.475 -1.130 4.012 1.00 0.00 C ATOM 131 O VAL A 10 7.854 -2.153 4.302 1.00 0.00 O ATOM 132 CB VAL A 10 10.970 -1.193 3.949 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.049 -2.463 4.782 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.201 -1.048 3.068 1.00 0.00 C ATOM 0 H VAL A 10 10.440 0.596 2.286 1.00 0.00 H new ATOM 0 HA VAL A 10 9.662 -2.099 2.501 1.00 0.00 H new ATOM 0 HB VAL A 10 10.936 -0.342 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.961 -2.450 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.184 -2.520 5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.059 -3.331 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.096 -1.056 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.243 -1.877 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.148 -0.107 2.520 1.00 0.00 H new ATOM 144 N GLN A 11 8.136 0.076 4.458 1.00 0.00 N ATOM 145 CA GLN A 11 6.988 0.268 5.335 1.00 0.00 C ATOM 146 C GLN A 11 5.699 -0.068 4.595 1.00 0.00 C ATOM 147 O GLN A 11 4.842 -0.786 5.111 1.00 0.00 O ATOM 148 CB GLN A 11 6.940 1.710 5.843 1.00 0.00 C ATOM 149 CG GLN A 11 7.713 1.925 7.134 1.00 0.00 C ATOM 150 CD GLN A 11 7.784 3.386 7.533 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.038 4.257 6.700 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.562 3.662 8.812 1.00 0.00 N ATOM 0 H GLN A 11 8.639 0.933 4.227 1.00 0.00 H new ATOM 0 HA GLN A 11 7.089 -0.400 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.341 2.371 5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.900 1.997 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.241 1.356 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.724 1.534 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.355 2.909 9.468 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.598 4.627 9.139 1.00 0.00 H new ATOM 161 N LEU A 12 5.575 0.450 3.377 1.00 0.00 N ATOM 162 CA LEU A 12 4.398 0.201 2.558 1.00 0.00 C ATOM 163 C LEU A 12 4.275 -1.284 2.236 1.00 0.00 C ATOM 164 O LEU A 12 3.176 -1.842 2.238 1.00 0.00 O ATOM 165 CB LEU A 12 4.473 1.011 1.262 1.00 0.00 C ATOM 166 CG LEU A 12 3.908 2.428 1.351 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.307 3.240 0.129 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.393 2.389 1.496 1.00 0.00 C ATOM 0 H LEU A 12 6.277 1.045 2.937 1.00 0.00 H new ATOM 0 HA LEU A 12 3.517 0.511 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.515 1.071 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.936 0.471 0.482 1.00 0.00 H new ATOM 0 HG LEU A 12 4.326 2.911 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.895 4.246 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.394 3.296 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.918 2.761 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.007 3.407 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.958 1.888 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.128 1.845 2.402 1.00 0.00 H new ATOM 180 N LYS A 13 5.410 -1.920 1.966 1.00 0.00 N ATOM 181 CA LYS A 13 5.433 -3.342 1.646 1.00 0.00 C ATOM 182 C LYS A 13 4.991 -4.171 2.848 1.00 0.00 C ATOM 183 O LYS A 13 4.322 -5.193 2.697 1.00 0.00 O ATOM 184 CB LYS A 13 6.835 -3.765 1.202 1.00 0.00 C ATOM 185 CG LYS A 13 6.951 -4.016 -0.292 1.00 0.00 C ATOM 186 CD LYS A 13 8.391 -3.906 -0.766 1.00 0.00 C ATOM 187 CE LYS A 13 8.669 -4.846 -1.928 1.00 0.00 C ATOM 188 NZ LYS A 13 8.770 -6.264 -1.484 1.00 0.00 N ATOM 0 H LYS A 13 6.327 -1.472 1.962 1.00 0.00 H new ATOM 0 HA LYS A 13 4.736 -3.520 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.547 -2.990 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.118 -4.671 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.565 -5.008 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.334 -3.298 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.598 -2.880 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.065 -4.136 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.874 -4.753 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.597 -4.552 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.157 -6.843 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.398 -6.325 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.825 -6.616 -1.228 1.00 0.00 H new ATOM 202 N ASP A 14 5.367 -3.720 4.041 1.00 0.00 N ATOM 203 CA ASP A 14 5.005 -4.417 5.268 1.00 0.00 C ATOM 204 C ASP A 14 3.500 -4.348 5.499 1.00 0.00 C ATOM 205 O ASP A 14 2.864 -5.347 5.837 1.00 0.00 O ATOM 206 CB ASP A 14 5.745 -3.812 6.462 1.00 0.00 C ATOM 207 CG ASP A 14 6.015 -4.832 7.552 1.00 0.00 C ATOM 208 OD1 ASP A 14 5.066 -5.539 7.951 1.00 0.00 O ATOM 209 OD2 ASP A 14 7.175 -4.923 8.006 1.00 0.00 O ATOM 0 H ASP A 14 5.922 -2.876 4.183 1.00 0.00 H new ATOM 0 HA ASP A 14 5.295 -5.463 5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.690 -3.388 6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.156 -2.992 6.873 1.00 0.00 H new ATOM 214 N LEU A 15 2.937 -3.160 5.308 1.00 0.00 N ATOM 215 CA LEU A 15 1.507 -2.955 5.488 1.00 0.00 C ATOM 216 C LEU A 15 0.713 -3.798 4.498 1.00 0.00 C ATOM 217 O LEU A 15 -0.321 -4.369 4.842 1.00 0.00 O ATOM 218 CB LEU A 15 1.157 -1.476 5.316 1.00 0.00 C ATOM 219 CG LEU A 15 1.298 -0.625 6.578 1.00 0.00 C ATOM 220 CD1 LEU A 15 1.197 0.854 6.239 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.242 -1.013 7.602 1.00 0.00 C ATOM 0 H LEU A 15 3.451 -2.324 5.028 1.00 0.00 H new ATOM 0 HA LEU A 15 1.242 -3.266 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.796 -1.055 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.130 -1.401 4.959 1.00 0.00 H new ATOM 0 HG LEU A 15 2.281 -0.810 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.300 1.444 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.990 1.122 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.228 1.057 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.357 -0.397 8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.750 -0.857 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.362 -2.063 7.868 1.00 0.00 H new ATOM 233 N LEU A 16 1.211 -3.876 3.270 1.00 0.00 N ATOM 234 CA LEU A 16 0.555 -4.655 2.230 1.00 0.00 C ATOM 235 C LEU A 16 0.540 -6.133 2.601 1.00 0.00 C ATOM 236 O LEU A 16 -0.482 -6.806 2.473 1.00 0.00 O ATOM 237 CB LEU A 16 1.267 -4.456 0.891 1.00 0.00 C ATOM 238 CG LEU A 16 0.841 -3.207 0.112 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.053 -2.353 -0.241 1.00 0.00 C ATOM 240 CD2 LEU A 16 0.073 -3.593 -1.145 1.00 0.00 C ATOM 0 H LEU A 16 2.067 -3.409 2.971 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.474 -4.309 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.341 -4.405 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.090 -5.333 0.268 1.00 0.00 H new ATOM 0 HG LEU A 16 0.181 -2.618 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.728 -1.471 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.558 -2.042 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.741 -2.934 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.220 -2.692 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.707 -4.208 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.818 -4.156 -0.868 1.00 0.00 H new ATOM 252 N THR A 17 1.678 -6.632 3.076 1.00 0.00 N ATOM 253 CA THR A 17 1.783 -8.029 3.475 1.00 0.00 C ATOM 254 C THR A 17 0.770 -8.340 4.568 1.00 0.00 C ATOM 255 O THR A 17 0.091 -9.367 4.530 1.00 0.00 O ATOM 256 CB THR A 17 3.199 -8.339 3.965 1.00 0.00 C ATOM 257 OG1 THR A 17 3.830 -7.168 4.451 1.00 0.00 O ATOM 258 CG2 THR A 17 4.088 -8.929 2.892 1.00 0.00 C ATOM 0 H THR A 17 2.535 -6.092 3.193 1.00 0.00 H new ATOM 0 HA THR A 17 1.570 -8.655 2.608 1.00 0.00 H new ATOM 0 HB THR A 17 3.075 -9.077 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.319 -6.810 5.207 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.077 -9.125 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.654 -9.862 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.174 -8.226 2.064 1.00 0.00 H new ATOM 266 N LYS A 18 0.666 -7.436 5.534 1.00 0.00 N ATOM 267 CA LYS A 18 -0.275 -7.599 6.634 1.00 0.00 C ATOM 268 C LYS A 18 -1.713 -7.476 6.136 1.00 0.00 C ATOM 269 O LYS A 18 -2.632 -8.058 6.713 1.00 0.00 O ATOM 270 CB LYS A 18 -0.006 -6.557 7.723 1.00 0.00 C ATOM 271 CG LYS A 18 -0.016 -7.132 9.130 1.00 0.00 C ATOM 272 CD LYS A 18 -0.604 -6.149 10.130 1.00 0.00 C ATOM 273 CE LYS A 18 -0.653 -6.740 11.530 1.00 0.00 C ATOM 274 NZ LYS A 18 -1.904 -6.367 12.247 1.00 0.00 N ATOM 0 H LYS A 18 1.222 -6.582 5.578 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.138 -8.595 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.961 -6.090 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.758 -5.770 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.595 -8.055 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.001 -7.389 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.007 -5.237 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.610 -5.868 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.580 -7.826 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.209 -6.394 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.899 -6.789 13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.962 -5.332 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.726 -6.719 11.716 1.00 0.00 H new ATOM 288 N ARG A 19 -1.899 -6.712 5.062 1.00 0.00 N ATOM 289 CA ARG A 19 -3.225 -6.510 4.486 1.00 0.00 C ATOM 290 C ARG A 19 -3.523 -7.533 3.388 1.00 0.00 C ATOM 291 O ARG A 19 -4.629 -7.570 2.851 1.00 0.00 O ATOM 292 CB ARG A 19 -3.340 -5.091 3.924 1.00 0.00 C ATOM 293 CG ARG A 19 -4.177 -4.160 4.785 1.00 0.00 C ATOM 294 CD ARG A 19 -3.318 -3.397 5.782 1.00 0.00 C ATOM 295 NE ARG A 19 -3.658 -1.977 5.823 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.707 -1.485 6.478 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.522 -2.294 7.144 1.00 0.00 N ATOM 298 NH2 ARG A 19 -4.942 -0.179 6.466 1.00 0.00 N ATOM 0 H ARG A 19 -1.149 -6.223 4.574 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.959 -6.648 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.340 -4.670 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.776 -5.139 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.710 -3.454 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.931 -4.738 5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.445 -3.829 6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.267 -3.511 5.517 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.056 -1.324 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.346 -3.299 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.324 -1.911 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.319 0.447 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.746 0.199 6.968 1.00 0.00 H new ATOM 312 N ASN A 20 -2.535 -8.362 3.057 1.00 0.00 N ATOM 313 CA ASN A 20 -2.702 -9.380 2.026 1.00 0.00 C ATOM 314 C ASN A 20 -2.909 -8.740 0.656 1.00 0.00 C ATOM 315 O ASN A 20 -3.774 -9.160 -0.114 1.00 0.00 O ATOM 316 CB ASN A 20 -3.884 -10.292 2.363 1.00 0.00 C ATOM 317 CG ASN A 20 -3.555 -11.760 2.173 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.813 -12.334 1.115 1.00 0.00 O ATOM 319 ND2 ASN A 20 -2.982 -12.376 3.201 1.00 0.00 N ATOM 0 H ASN A 20 -1.611 -8.347 3.489 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.792 -9.978 1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.188 -10.121 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.734 -10.029 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.738 -13.364 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.786 -11.861 4.059 1.00 0.00 H new ATOM 326 N LEU A 21 -2.108 -7.722 0.356 1.00 0.00 N ATOM 327 CA LEU A 21 -2.203 -7.025 -0.921 1.00 0.00 C ATOM 328 C LEU A 21 -0.982 -7.311 -1.791 1.00 0.00 C ATOM 329 O LEU A 21 0.030 -7.818 -1.309 1.00 0.00 O ATOM 330 CB LEU A 21 -2.339 -5.518 -0.694 1.00 0.00 C ATOM 331 CG LEU A 21 -3.641 -5.079 -0.021 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.535 -3.640 0.458 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.814 -5.241 -0.976 1.00 0.00 C ATOM 0 H LEU A 21 -1.386 -7.362 0.980 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.089 -7.390 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.501 -5.181 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.257 -5.012 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.813 -5.716 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.470 -3.345 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.720 -3.555 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.339 -2.987 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.732 -4.924 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.649 -4.628 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.902 -6.287 -1.270 1.00 0.00 H new ATOM 345 N SER A 22 -1.087 -6.983 -3.075 1.00 0.00 N ATOM 346 CA SER A 22 0.009 -7.206 -4.013 1.00 0.00 C ATOM 347 C SER A 22 1.086 -6.137 -3.858 1.00 0.00 C ATOM 348 O SER A 22 0.811 -4.943 -3.970 1.00 0.00 O ATOM 349 CB SER A 22 -0.517 -7.211 -5.450 1.00 0.00 C ATOM 350 OG SER A 22 -1.709 -7.968 -5.554 1.00 0.00 O ATOM 0 H SER A 22 -1.919 -6.562 -3.490 1.00 0.00 H new ATOM 0 HA SER A 22 0.452 -8.177 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.703 -6.188 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.240 -7.625 -6.116 1.00 0.00 H new ATOM 0 HG SER A 22 -2.026 -7.954 -6.481 1.00 0.00 H new ATOM 356 N VAL A 23 2.314 -6.575 -3.599 1.00 0.00 N ATOM 357 CA VAL A 23 3.434 -5.655 -3.428 1.00 0.00 C ATOM 358 C VAL A 23 4.363 -5.675 -4.640 1.00 0.00 C ATOM 359 O VAL A 23 5.517 -5.256 -4.553 1.00 0.00 O ATOM 360 CB VAL A 23 4.252 -5.995 -2.168 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.463 -5.659 -0.912 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.661 -7.460 -2.175 1.00 0.00 C ATOM 0 H VAL A 23 2.559 -7.560 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 23 3.005 -4.659 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 23 5.158 -5.390 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.057 -5.906 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.228 -4.595 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.538 -6.235 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.238 -7.681 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.769 -8.087 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.269 -7.664 -3.056 1.00 0.00 H new ATOM 372 N GLY A 24 3.856 -6.165 -5.769 1.00 0.00 N ATOM 373 CA GLY A 24 4.660 -6.227 -6.975 1.00 0.00 C ATOM 374 C GLY A 24 4.709 -4.903 -7.714 1.00 0.00 C ATOM 375 O GLY A 24 5.677 -4.613 -8.417 1.00 0.00 O ATOM 0 H GLY A 24 2.905 -6.519 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.674 -6.532 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.257 -6.993 -7.637 1.00 0.00 H new ATOM 379 N GLY A 25 3.662 -4.100 -7.558 1.00 0.00 N ATOM 380 CA GLY A 25 3.610 -2.811 -8.222 1.00 0.00 C ATOM 381 C GLY A 25 4.589 -1.813 -7.635 1.00 0.00 C ATOM 382 O GLY A 25 5.157 -2.046 -6.568 1.00 0.00 O ATOM 0 H GLY A 25 2.848 -4.319 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.824 -2.944 -9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.599 -2.409 -8.149 1.00 0.00 H new ATOM 386 N LEU A 26 4.785 -0.698 -8.333 1.00 0.00 N ATOM 387 CA LEU A 26 5.700 0.340 -7.874 1.00 0.00 C ATOM 388 C LEU A 26 5.165 1.017 -6.616 1.00 0.00 C ATOM 389 O LEU A 26 4.014 0.812 -6.232 1.00 0.00 O ATOM 390 CB LEU A 26 5.917 1.381 -8.974 1.00 0.00 C ATOM 391 CG LEU A 26 6.723 0.894 -10.178 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.230 1.557 -11.455 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.205 1.166 -9.972 1.00 0.00 C ATOM 0 H LEU A 26 4.322 -0.491 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 26 6.654 -0.130 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.944 1.726 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.424 2.243 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 26 6.581 -0.182 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.816 1.198 -12.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.180 1.311 -11.610 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.341 2.638 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.764 0.813 -10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.365 2.237 -9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.550 0.643 -9.080 1.00 0.00 H new ATOM 405 N LYS A 27 6.008 1.826 -5.978 1.00 0.00 N ATOM 406 CA LYS A 27 5.620 2.535 -4.761 1.00 0.00 C ATOM 407 C LYS A 27 4.266 3.220 -4.930 1.00 0.00 C ATOM 408 O LYS A 27 3.412 3.154 -4.046 1.00 0.00 O ATOM 409 CB LYS A 27 6.684 3.567 -4.387 1.00 0.00 C ATOM 410 CG LYS A 27 6.749 3.862 -2.897 1.00 0.00 C ATOM 411 CD LYS A 27 7.747 4.966 -2.590 1.00 0.00 C ATOM 412 CE LYS A 27 7.542 5.530 -1.194 1.00 0.00 C ATOM 413 NZ LYS A 27 7.988 6.947 -1.095 1.00 0.00 N ATOM 0 H LYS A 27 6.964 2.007 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 27 5.534 1.802 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.658 3.209 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.484 4.494 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.761 4.153 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.029 2.957 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.761 4.577 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.645 5.765 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.487 5.462 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.093 4.925 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.831 7.294 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.000 7.009 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.445 7.529 -1.764 1.00 0.00 H new ATOM 427 N ASN A 28 4.077 3.873 -6.072 1.00 0.00 N ATOM 428 CA ASN A 28 2.826 4.564 -6.356 1.00 0.00 C ATOM 429 C ASN A 28 1.668 3.574 -6.422 1.00 0.00 C ATOM 430 O ASN A 28 0.550 3.880 -6.006 1.00 0.00 O ATOM 431 CB ASN A 28 2.930 5.336 -7.672 1.00 0.00 C ATOM 432 CG ASN A 28 1.947 6.485 -7.749 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.288 7.631 -7.454 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.715 6.185 -8.145 1.00 0.00 N ATOM 0 H ASN A 28 4.774 3.938 -6.814 1.00 0.00 H new ATOM 0 HA ASN A 28 2.635 5.270 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.944 5.721 -7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.754 4.655 -8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.009 6.918 -8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.475 5.222 -8.380 1.00 0.00 H new ATOM 441 N GLU A 29 1.949 2.382 -6.939 1.00 0.00 N ATOM 442 CA GLU A 29 0.937 1.341 -7.052 1.00 0.00 C ATOM 443 C GLU A 29 0.573 0.811 -5.673 1.00 0.00 C ATOM 444 O GLU A 29 -0.582 0.483 -5.404 1.00 0.00 O ATOM 445 CB GLU A 29 1.442 0.200 -7.937 1.00 0.00 C ATOM 446 CG GLU A 29 1.039 0.338 -9.396 1.00 0.00 C ATOM 447 CD GLU A 29 -0.169 -0.508 -9.749 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.004 -1.724 -9.976 1.00 0.00 O ATOM 449 OE2 GLU A 29 -1.287 0.045 -9.797 1.00 0.00 O ATOM 0 H GLU A 29 2.870 2.114 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 29 0.047 1.771 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.529 0.154 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.060 -0.745 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.821 1.384 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.878 0.050 -10.030 1.00 0.00 H new ATOM 456 N LEU A 30 1.572 0.737 -4.802 1.00 0.00 N ATOM 457 CA LEU A 30 1.369 0.256 -3.443 1.00 0.00 C ATOM 458 C LEU A 30 0.438 1.188 -2.678 1.00 0.00 C ATOM 459 O LEU A 30 -0.513 0.744 -2.034 1.00 0.00 O ATOM 460 CB LEU A 30 2.711 0.148 -2.718 1.00 0.00 C ATOM 461 CG LEU A 30 3.747 -0.751 -3.397 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.087 -0.653 -2.683 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.264 -2.193 -3.429 1.00 0.00 C ATOM 0 H LEU A 30 2.533 1.005 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 30 0.909 -0.731 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.132 1.148 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.532 -0.227 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 30 3.878 -0.410 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.812 -1.299 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.440 0.378 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.971 -0.968 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.014 -2.817 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.104 -2.546 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.328 -2.251 -3.984 1.00 0.00 H new ATOM 475 N VAL A 31 0.716 2.486 -2.757 1.00 0.00 N ATOM 476 CA VAL A 31 -0.099 3.483 -2.076 1.00 0.00 C ATOM 477 C VAL A 31 -1.524 3.473 -2.614 1.00 0.00 C ATOM 478 O VAL A 31 -2.488 3.505 -1.850 1.00 0.00 O ATOM 479 CB VAL A 31 0.490 4.898 -2.234 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.286 5.900 -1.393 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.966 4.907 -1.860 1.00 0.00 C ATOM 0 H VAL A 31 1.499 2.870 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.106 3.222 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 31 0.401 5.192 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.146 6.893 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.328 5.914 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.233 5.612 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.365 5.914 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.081 4.590 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.510 4.223 -2.511 1.00 0.00 H new ATOM 491 N GLN A 32 -1.646 3.422 -3.934 1.00 0.00 N ATOM 492 CA GLN A 32 -2.952 3.402 -4.581 1.00 0.00 C ATOM 493 C GLN A 32 -3.719 2.136 -4.216 1.00 0.00 C ATOM 494 O GLN A 32 -4.942 2.161 -4.079 1.00 0.00 O ATOM 495 CB GLN A 32 -2.795 3.498 -6.100 1.00 0.00 C ATOM 496 CG GLN A 32 -2.287 4.849 -6.575 1.00 0.00 C ATOM 497 CD GLN A 32 -3.394 5.727 -7.123 1.00 0.00 C ATOM 498 OE1 GLN A 32 -3.610 6.843 -6.648 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.104 5.227 -8.127 1.00 0.00 N ATOM 0 H GLN A 32 -0.856 3.394 -4.578 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.518 4.264 -4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.107 2.722 -6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.757 3.295 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.798 5.361 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.532 4.699 -7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.891 4.298 -8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.863 5.772 -8.536 1.00 0.00 H new ATOM 508 N ARG A 33 -2.996 1.032 -4.056 1.00 0.00 N ATOM 509 CA ARG A 33 -3.622 -0.237 -3.703 1.00 0.00 C ATOM 510 C ARG A 33 -4.229 -0.159 -2.308 1.00 0.00 C ATOM 511 O ARG A 33 -5.368 -0.572 -2.091 1.00 0.00 O ATOM 512 CB ARG A 33 -2.600 -1.374 -3.766 1.00 0.00 C ATOM 513 CG ARG A 33 -3.206 -2.715 -4.144 1.00 0.00 C ATOM 514 CD ARG A 33 -2.147 -3.804 -4.220 1.00 0.00 C ATOM 515 NE ARG A 33 -1.279 -3.644 -5.384 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.620 -4.003 -6.620 1.00 0.00 C ATOM 517 NH1 ARG A 33 -2.810 -4.542 -6.855 1.00 0.00 N ATOM 518 NH2 ARG A 33 -0.771 -3.822 -7.621 1.00 0.00 N ATOM 0 H ARG A 33 -1.983 0.990 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.416 -0.440 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.827 -1.117 -4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.111 -1.466 -2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.963 -2.993 -3.411 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.711 -2.629 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.543 -3.786 -3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.632 -4.779 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.357 -3.233 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.467 -4.682 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.068 -4.816 -7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.144 -3.408 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.033 -4.097 -8.568 1.00 0.00 H new ATOM 532 N LEU A 34 -3.468 0.393 -1.368 1.00 0.00 N ATOM 533 CA LEU A 34 -3.941 0.546 0.001 1.00 0.00 C ATOM 534 C LEU A 34 -5.076 1.560 0.048 1.00 0.00 C ATOM 535 O LEU A 34 -6.031 1.413 0.811 1.00 0.00 O ATOM 536 CB LEU A 34 -2.798 0.993 0.914 1.00 0.00 C ATOM 537 CG LEU A 34 -1.787 -0.099 1.267 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.391 0.489 1.406 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.197 -0.811 2.547 1.00 0.00 C ATOM 0 H LEU A 34 -2.523 0.741 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.310 -0.417 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.269 1.815 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.223 1.386 1.838 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.772 -0.828 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.314 -0.303 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.096 0.952 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.390 1.240 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.466 -1.585 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.241 -0.092 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.178 -1.267 2.411 1.00 0.00 H new ATOM 551 N ILE A 35 -4.960 2.588 -0.785 1.00 0.00 N ATOM 552 CA ILE A 35 -5.966 3.639 -0.866 1.00 0.00 C ATOM 553 C ILE A 35 -7.284 3.088 -1.407 1.00 0.00 C ATOM 554 O ILE A 35 -8.357 3.408 -0.896 1.00 0.00 O ATOM 555 CB ILE A 35 -5.476 4.798 -1.762 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.317 5.535 -1.087 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.610 5.766 -2.079 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.410 6.257 -2.059 1.00 0.00 C ATOM 0 H ILE A 35 -4.171 2.716 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.132 4.019 0.142 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.124 4.374 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.721 6.256 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.726 4.819 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.235 6.571 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.406 5.235 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.001 6.185 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.612 6.756 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.977 5.538 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.987 6.997 -2.614 1.00 0.00 H new ATOM 570 N LYS A 36 -7.194 2.260 -2.443 1.00 0.00 N ATOM 571 CA LYS A 36 -8.380 1.667 -3.052 1.00 0.00 C ATOM 572 C LYS A 36 -9.069 0.712 -2.083 1.00 0.00 C ATOM 573 O LYS A 36 -10.284 0.772 -1.897 1.00 0.00 O ATOM 574 CB LYS A 36 -8.002 0.924 -4.336 1.00 0.00 C ATOM 575 CG LYS A 36 -9.200 0.547 -5.193 1.00 0.00 C ATOM 576 CD LYS A 36 -8.797 -0.361 -6.345 1.00 0.00 C ATOM 577 CE LYS A 36 -8.728 0.401 -7.659 1.00 0.00 C ATOM 578 NZ LYS A 36 -8.832 -0.508 -8.834 1.00 0.00 N ATOM 0 H LYS A 36 -6.314 1.985 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.074 2.472 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.328 1.548 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.453 0.019 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.946 0.045 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.666 1.450 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.827 -0.811 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.514 -1.177 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.533 1.135 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.790 0.954 -7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.781 0.050 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.050 -1.193 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.738 -1.017 -8.800 1.00 0.00 H new ATOM 592 N ASP A 37 -8.286 -0.167 -1.468 1.00 0.00 N ATOM 593 CA ASP A 37 -8.821 -1.135 -0.518 1.00 0.00 C ATOM 594 C ASP A 37 -9.460 -0.431 0.675 1.00 0.00 C ATOM 595 O ASP A 37 -10.502 -0.856 1.174 1.00 0.00 O ATOM 596 CB ASP A 37 -7.713 -2.075 -0.037 1.00 0.00 C ATOM 597 CG ASP A 37 -8.259 -3.288 0.690 1.00 0.00 C ATOM 598 OD1 ASP A 37 -9.152 -3.962 0.133 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.795 -3.564 1.817 1.00 0.00 O ATOM 0 H ASP A 37 -7.278 -0.229 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.589 -1.719 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.122 -2.403 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.040 -1.530 0.625 1.00 0.00 H new ATOM 604 N ASP A 38 -8.828 0.648 1.127 1.00 0.00 N ATOM 605 CA ASP A 38 -9.335 1.411 2.261 1.00 0.00 C ATOM 606 C ASP A 38 -10.625 2.138 1.895 1.00 0.00 C ATOM 607 O ASP A 38 -11.566 2.192 2.686 1.00 0.00 O ATOM 608 CB ASP A 38 -8.285 2.415 2.738 1.00 0.00 C ATOM 609 CG ASP A 38 -7.448 1.877 3.882 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.735 0.872 3.674 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.503 2.460 4.984 1.00 0.00 O ATOM 0 H ASP A 38 -7.964 1.013 0.725 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.551 0.713 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.632 2.677 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.781 3.332 3.055 1.00 0.00 H new ATOM 616 N GLU A 39 -10.658 2.695 0.691 1.00 0.00 N ATOM 617 CA GLU A 39 -11.829 3.421 0.216 1.00 0.00 C ATOM 618 C GLU A 39 -12.981 2.465 -0.076 1.00 0.00 C ATOM 619 O GLU A 39 -14.147 2.795 0.145 1.00 0.00 O ATOM 620 CB GLU A 39 -11.485 4.222 -1.041 1.00 0.00 C ATOM 621 CG GLU A 39 -11.002 5.634 -0.749 1.00 0.00 C ATOM 622 CD GLU A 39 -10.441 6.324 -1.977 1.00 0.00 C ATOM 623 OE1 GLU A 39 -9.278 6.777 -1.923 1.00 0.00 O ATOM 624 OE2 GLU A 39 -11.164 6.411 -2.991 1.00 0.00 O ATOM 0 H GLU A 39 -9.886 2.658 0.025 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.141 4.109 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.714 3.692 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.365 4.273 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.829 6.222 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.236 5.599 0.025 1.00 0.00 H new