USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 853 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 48 LYS NZ :NH3+ -163:sc= 0.066 (180deg=0) USER MOD Set 1.2: A 68 ASN : amide:sc=-0.00934 K(o=1.2,f=-7.3!) USER MOD Set 1.3: A 71 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.496) USER MOD Set 2.1: A 10 MET CE :methyl -108:sc= -0.547 (180deg=-2.59!) USER MOD Set 2.2: A 24 TYR OH : rot -58:sc= 0.958 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.272 (180deg=-2.32!) USER MOD Single : A 3 ASN : amide:sc= -0.0133 K(o=-0.013,f=-2.2) USER MOD Single : A 4 MET CE :methyl -148:sc= -0.392 (180deg=-2.38) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.15) USER MOD Single : A 9 SER OG : rot 160:sc= -0.193 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 128:sc= 1.1 USER MOD Single : A 17 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.7) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0047 USER MOD Single : A 22 CYS SG : rot -61:sc= -0.596 USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 1.11 (180deg=0.47) USER MOD Single : A 33 ASN : amide:sc= -0.0909 X(o=-0.091,f=-0.21) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.243 (180deg=-0.304) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 30:sc= 1.02 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.526 K(o=0.53,f=-0.4) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0134) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc=-0.00376 F(o=-0.7,f=-0.0038) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 CYS SG : rot 132:sc= 0.345 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0.959 (180deg=0.936) USER MOD Single : A 63 ASN : amide:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00225 USER MOD Single : A 69 TYR OH : rot -165:sc= 0.706 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= -0.0215 (180deg=-0.107) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc=-0.00306 (180deg=-0.777) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc=-0.00379 (180deg=-0.106) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=-0.099) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0709) USER MOD Single : A 89 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.6!) USER MOD Single : A 91 SER OG : rot -77:sc= 0.855 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.1) USER MOD Single : A 102 SER OG : rot 14:sc= 0.0498 USER MOD Single : A 103 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 20.775 3.055 9.205 1.00 0.00 N ATOM 2 CA GLY A -2 20.171 3.170 7.869 1.00 0.00 C ATOM 3 C GLY A -2 19.999 1.812 7.210 1.00 0.00 C ATOM 4 O GLY A -2 20.698 1.493 6.247 1.00 0.00 O ATOM 0 H1 GLY A -2 20.876 4.002 9.623 1.00 0.00 H new ATOM 0 H2 GLY A -2 20.165 2.472 9.813 1.00 0.00 H new ATOM 0 H3 GLY A -2 21.711 2.610 9.125 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.201 3.661 7.949 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.797 3.803 7.240 1.00 0.00 H new ATOM 8 N HIS A -1 19.062 1.004 7.707 1.00 0.00 N ATOM 9 CA HIS A -1 18.661 -0.264 7.111 1.00 0.00 C ATOM 10 C HIS A -1 17.182 -0.482 7.423 1.00 0.00 C ATOM 11 O HIS A -1 16.683 0.083 8.399 1.00 0.00 O ATOM 12 CB HIS A -1 19.539 -1.417 7.641 1.00 0.00 C ATOM 13 CG HIS A -1 19.800 -1.441 9.129 1.00 0.00 C ATOM 14 ND1 HIS A -1 20.830 -0.791 9.766 1.00 0.00 N ATOM 15 CD2 HIS A -1 19.150 -2.200 10.065 1.00 0.00 C ATOM 16 CE1 HIS A -1 20.794 -1.133 11.062 1.00 0.00 C ATOM 17 NE2 HIS A -1 19.801 -2.010 11.293 1.00 0.00 N ATOM 0 H HIS A -1 18.548 1.223 8.560 1.00 0.00 H new ATOM 0 HA HIS A -1 18.801 -0.242 6.030 1.00 0.00 H new ATOM 0 HB2 HIS A -1 19.068 -2.360 7.363 1.00 0.00 H new ATOM 0 HB3 HIS A -1 20.500 -1.377 7.127 1.00 0.00 H new ATOM 0 HD2 HIS A -1 18.291 -2.831 9.890 1.00 0.00 H new ATOM 0 HE1 HIS A -1 21.469 -0.756 11.816 1.00 0.00 H new ATOM 0 HE2 HIS A -1 19.568 -2.449 12.183 1.00 0.00 H new ATOM 25 N MET A 1 16.488 -1.310 6.635 1.00 0.00 N ATOM 26 CA MET A 1 15.122 -1.723 6.930 1.00 0.00 C ATOM 27 C MET A 1 14.962 -3.207 6.663 1.00 0.00 C ATOM 28 O MET A 1 15.340 -3.683 5.589 1.00 0.00 O ATOM 29 CB MET A 1 14.082 -1.000 6.059 1.00 0.00 C ATOM 30 CG MET A 1 12.665 -1.315 6.569 1.00 0.00 C ATOM 31 SD MET A 1 12.395 -1.264 8.362 1.00 0.00 S ATOM 32 CE MET A 1 10.851 -2.198 8.453 1.00 0.00 C ATOM 0 H MET A 1 16.863 -1.710 5.775 1.00 0.00 H new ATOM 0 HA MET A 1 14.950 -1.474 7.977 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.257 0.076 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.183 -1.314 5.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.975 -0.611 6.104 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.393 -2.309 6.215 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.773 -2.678 9.429 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.008 -1.522 8.313 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.839 -2.959 7.673 1.00 0.00 H new ATOM 42 N ILE A 2 14.265 -3.910 7.554 1.00 0.00 N ATOM 43 CA ILE A 2 14.048 -5.348 7.467 1.00 0.00 C ATOM 44 C ILE A 2 12.575 -5.656 7.699 1.00 0.00 C ATOM 45 O ILE A 2 11.955 -5.067 8.586 1.00 0.00 O ATOM 46 CB ILE A 2 14.925 -6.083 8.495 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.368 -5.528 8.480 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.868 -7.592 8.225 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.302 -6.283 9.409 1.00 0.00 C ATOM 0 H ILE A 2 13.828 -3.485 8.372 1.00 0.00 H new ATOM 0 HA ILE A 2 14.329 -5.695 6.472 1.00 0.00 H new ATOM 0 HB ILE A 2 14.541 -5.910 9.500 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.759 -5.575 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.350 -4.477 8.767 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.489 -8.115 8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.838 -7.938 8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.237 -7.796 7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.300 -5.847 9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.931 -6.215 10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.346 -7.330 9.108 1.00 0.00 H new ATOM 61 N ASN A 3 12.074 -6.642 6.958 1.00 0.00 N ATOM 62 CA ASN A 3 10.724 -7.173 6.931 1.00 0.00 C ATOM 63 C ASN A 3 9.648 -6.087 6.920 1.00 0.00 C ATOM 64 O ASN A 3 8.856 -5.948 7.855 1.00 0.00 O ATOM 65 CB ASN A 3 10.513 -8.231 8.024 1.00 0.00 C ATOM 66 CG ASN A 3 9.483 -9.254 7.561 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.436 -8.901 7.024 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.751 -10.538 7.737 1.00 0.00 N ATOM 0 H ASN A 3 12.671 -7.136 6.295 1.00 0.00 H new ATOM 0 HA ASN A 3 10.606 -7.685 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.457 -8.728 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.177 -7.754 8.945 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.085 -11.245 7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.623 -10.820 8.184 1.00 0.00 H new ATOM 75 N MET A 4 9.591 -5.322 5.832 1.00 0.00 N ATOM 76 CA MET A 4 8.571 -4.301 5.615 1.00 0.00 C ATOM 77 C MET A 4 7.608 -4.812 4.550 1.00 0.00 C ATOM 78 O MET A 4 8.010 -5.511 3.610 1.00 0.00 O ATOM 79 CB MET A 4 9.256 -3.017 5.152 1.00 0.00 C ATOM 80 CG MET A 4 8.609 -1.684 5.514 1.00 0.00 C ATOM 81 SD MET A 4 9.645 -0.355 4.839 1.00 0.00 S ATOM 82 CE MET A 4 9.163 1.084 5.828 1.00 0.00 C ATOM 0 H MET A 4 10.261 -5.396 5.067 1.00 0.00 H new ATOM 0 HA MET A 4 8.018 -4.093 6.531 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.269 -3.016 5.555 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.345 -3.060 4.066 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.601 -1.626 5.104 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.520 -1.585 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.242 1.986 5.221 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.134 0.964 6.167 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.822 1.169 6.692 1.00 0.00 H new ATOM 92 N LYS A 5 6.344 -4.422 4.660 1.00 0.00 N ATOM 93 CA LYS A 5 5.286 -4.823 3.732 1.00 0.00 C ATOM 94 C LYS A 5 4.496 -3.599 3.361 1.00 0.00 C ATOM 95 O LYS A 5 3.991 -2.939 4.262 1.00 0.00 O ATOM 96 CB LYS A 5 4.310 -5.816 4.377 1.00 0.00 C ATOM 97 CG LYS A 5 4.661 -7.283 4.236 1.00 0.00 C ATOM 98 CD LYS A 5 3.531 -8.068 4.918 1.00 0.00 C ATOM 99 CE LYS A 5 3.819 -9.557 4.853 1.00 0.00 C ATOM 100 NZ LYS A 5 3.684 -10.071 3.481 1.00 0.00 N ATOM 0 H LYS A 5 6.017 -3.809 5.407 1.00 0.00 H new ATOM 0 HA LYS A 5 5.755 -5.295 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.234 -5.582 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.322 -5.656 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.748 -7.562 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.621 -7.499 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.434 -7.753 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.581 -7.852 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.828 -9.750 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.134 -10.091 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.498 -11.094 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.894 -9.589 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.564 -9.894 2.956 1.00 0.00 H new ATOM 114 N VAL A 6 4.288 -3.351 2.078 1.00 0.00 N ATOM 115 CA VAL A 6 3.338 -2.338 1.658 1.00 0.00 C ATOM 116 C VAL A 6 2.458 -2.918 0.576 1.00 0.00 C ATOM 117 O VAL A 6 2.948 -3.722 -0.199 1.00 0.00 O ATOM 118 CB VAL A 6 4.088 -1.052 1.283 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.248 -0.056 0.490 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.556 -0.363 2.551 1.00 0.00 C ATOM 0 H VAL A 6 4.762 -3.835 1.315 1.00 0.00 H new ATOM 0 HA VAL A 6 2.665 -2.044 2.464 1.00 0.00 H new ATOM 0 HB VAL A 6 4.918 -1.358 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.847 0.826 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.916 -0.519 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.379 0.238 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.090 0.552 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.694 -0.117 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.221 -1.028 3.102 1.00 0.00 H new ATOM 130 N ALA A 7 1.180 -2.541 0.535 1.00 0.00 N ATOM 131 CA ALA A 7 0.190 -3.084 -0.389 1.00 0.00 C ATOM 132 C ALA A 7 -0.349 -1.944 -1.261 1.00 0.00 C ATOM 133 O ALA A 7 -1.413 -1.399 -0.987 1.00 0.00 O ATOM 134 CB ALA A 7 -0.878 -3.840 0.418 1.00 0.00 C ATOM 0 H ALA A 7 0.797 -1.832 1.160 1.00 0.00 H new ATOM 0 HA ALA A 7 0.619 -3.812 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.624 -4.251 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.408 -4.651 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.360 -3.155 1.115 1.00 0.00 H new ATOM 140 N ILE A 8 0.431 -1.530 -2.262 1.00 0.00 N ATOM 141 CA ILE A 8 0.241 -0.280 -3.013 1.00 0.00 C ATOM 142 C ILE A 8 -0.998 -0.390 -3.884 1.00 0.00 C ATOM 143 O ILE A 8 -1.205 -1.436 -4.501 1.00 0.00 O ATOM 144 CB ILE A 8 1.455 0.015 -3.922 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.742 -0.008 -3.087 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.300 1.378 -4.632 1.00 0.00 C ATOM 147 CD1 ILE A 8 4.009 -0.037 -3.919 1.00 0.00 C ATOM 0 H ILE A 8 1.236 -2.068 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 8 0.131 0.530 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 8 1.509 -0.757 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.762 0.871 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.726 -0.882 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.169 1.559 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.399 1.368 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.222 2.170 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.877 -0.052 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.013 -0.929 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.049 0.850 -4.552 1.00 0.00 H new ATOM 159 N SER A 9 -1.756 0.699 -4.000 1.00 0.00 N ATOM 160 CA SER A 9 -2.905 0.704 -4.915 1.00 0.00 C ATOM 161 C SER A 9 -2.455 0.801 -6.386 1.00 0.00 C ATOM 162 O SER A 9 -1.902 1.825 -6.786 1.00 0.00 O ATOM 163 CB SER A 9 -3.875 1.828 -4.533 1.00 0.00 C ATOM 164 OG SER A 9 -3.205 3.020 -4.181 1.00 0.00 O ATOM 0 H SER A 9 -1.605 1.569 -3.489 1.00 0.00 H new ATOM 0 HA SER A 9 -3.433 -0.244 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.546 2.025 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.494 1.502 -3.697 1.00 0.00 H new ATOM 0 HG SER A 9 -3.822 3.777 -4.258 1.00 0.00 H new ATOM 170 N MET A 10 -2.710 -0.223 -7.216 1.00 0.00 N ATOM 171 CA MET A 10 -2.411 -0.199 -8.654 1.00 0.00 C ATOM 172 C MET A 10 -3.673 -0.443 -9.483 1.00 0.00 C ATOM 173 O MET A 10 -4.577 -1.172 -9.070 1.00 0.00 O ATOM 174 CB MET A 10 -1.353 -1.251 -9.028 1.00 0.00 C ATOM 175 CG MET A 10 -0.062 -1.132 -8.207 1.00 0.00 C ATOM 176 SD MET A 10 1.489 -1.656 -9.010 1.00 0.00 S ATOM 177 CE MET A 10 1.544 -0.644 -10.519 1.00 0.00 C ATOM 0 H MET A 10 -3.133 -1.097 -6.904 1.00 0.00 H new ATOM 0 HA MET A 10 -2.018 0.793 -8.878 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.775 -2.246 -8.887 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.112 -1.154 -10.087 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.050 -0.091 -7.903 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.186 -1.718 -7.297 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.344 -1.273 -11.386 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.790 0.141 -10.459 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.531 -0.192 -10.618 1.00 0.00 H new ATOM 187 N ASP A 11 -3.724 0.158 -10.672 1.00 0.00 N ATOM 188 CA ASP A 11 -4.760 -0.069 -11.678 1.00 0.00 C ATOM 189 C ASP A 11 -4.291 -1.146 -12.663 1.00 0.00 C ATOM 190 O ASP A 11 -4.716 -2.298 -12.624 1.00 0.00 O ATOM 191 CB ASP A 11 -5.091 1.267 -12.384 1.00 0.00 C ATOM 192 CG ASP A 11 -6.552 1.311 -12.821 1.00 0.00 C ATOM 193 OD1 ASP A 11 -6.884 0.811 -13.914 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.417 1.807 -12.059 1.00 0.00 O ATOM 0 H ASP A 11 -3.024 0.837 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.675 -0.431 -11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.885 2.099 -11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.445 1.393 -13.253 1.00 0.00 H new ATOM 199 N VAL A 12 -3.385 -0.779 -13.557 1.00 0.00 N ATOM 200 CA VAL A 12 -3.007 -1.565 -14.719 1.00 0.00 C ATOM 201 C VAL A 12 -1.519 -1.369 -14.952 1.00 0.00 C ATOM 202 O VAL A 12 -0.805 -2.354 -15.132 1.00 0.00 O ATOM 203 CB VAL A 12 -3.893 -1.114 -15.913 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.395 -1.543 -17.297 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.321 -1.677 -15.782 1.00 0.00 C ATOM 0 H VAL A 12 -2.877 0.103 -13.490 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.173 -2.634 -14.583 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.856 -0.026 -15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.083 -1.179 -18.060 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.404 -1.125 -17.473 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.344 -2.631 -17.344 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.921 -1.347 -16.630 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.283 -2.766 -15.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.771 -1.317 -14.857 1.00 0.00 H new ATOM 215 N ASP A 13 -1.044 -0.118 -14.903 1.00 0.00 N ATOM 216 CA ASP A 13 0.366 0.178 -15.146 1.00 0.00 C ATOM 217 C ASP A 13 0.910 1.310 -14.266 1.00 0.00 C ATOM 218 O ASP A 13 2.073 1.697 -14.391 1.00 0.00 O ATOM 219 CB ASP A 13 0.573 0.448 -16.648 1.00 0.00 C ATOM 220 CG ASP A 13 1.661 -0.449 -17.238 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.467 -1.692 -17.241 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.683 0.076 -17.721 1.00 0.00 O ATOM 0 H ASP A 13 -1.617 0.701 -14.698 1.00 0.00 H new ATOM 0 HA ASP A 13 0.951 -0.695 -14.857 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.364 0.282 -17.180 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.843 1.494 -16.796 1.00 0.00 H new ATOM 227 N LYS A 14 0.082 1.852 -13.369 1.00 0.00 N ATOM 228 CA LYS A 14 0.365 2.981 -12.484 1.00 0.00 C ATOM 229 C LYS A 14 -0.599 2.931 -11.297 1.00 0.00 C ATOM 230 O LYS A 14 -1.448 2.029 -11.233 1.00 0.00 O ATOM 231 CB LYS A 14 0.224 4.312 -13.251 1.00 0.00 C ATOM 232 CG LYS A 14 -1.113 4.461 -14.005 1.00 0.00 C ATOM 233 CD LYS A 14 -1.008 4.197 -15.513 1.00 0.00 C ATOM 234 CE LYS A 14 -0.021 5.096 -16.268 1.00 0.00 C ATOM 235 NZ LYS A 14 -0.073 4.836 -17.722 1.00 0.00 N ATOM 0 H LYS A 14 -0.862 1.490 -13.234 1.00 0.00 H new ATOM 0 HA LYS A 14 1.390 2.916 -12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.327 5.138 -12.547 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.044 4.397 -13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.840 3.772 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.497 5.469 -13.848 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.716 3.158 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.996 4.318 -15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.255 6.143 -16.074 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.990 4.922 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.604 5.457 -18.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.173 3.843 -17.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.033 5.026 -18.074 1.00 0.00 H new ATOM 249 N ILE A 15 -0.481 3.897 -10.384 1.00 0.00 N ATOM 250 CA ILE A 15 -1.466 4.126 -9.334 1.00 0.00 C ATOM 251 C ILE A 15 -2.807 4.435 -10.002 1.00 0.00 C ATOM 252 O ILE A 15 -2.864 5.163 -10.995 1.00 0.00 O ATOM 253 CB ILE A 15 -1.001 5.251 -8.376 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.319 4.808 -7.712 1.00 0.00 C ATOM 255 CG2 ILE A 15 -2.061 5.569 -7.301 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.934 5.785 -6.719 1.00 0.00 C ATOM 0 H ILE A 15 0.307 4.544 -10.355 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.580 3.237 -8.713 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.852 6.165 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.144 3.863 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.049 4.613 -8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.693 6.363 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.983 5.893 -7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.257 4.676 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.857 5.365 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.153 6.726 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.233 5.964 -5.903 1.00 0.00 H new ATOM 268 N SER A 16 -3.873 3.878 -9.432 1.00 0.00 N ATOM 269 CA SER A 16 -5.253 4.090 -9.828 1.00 0.00 C ATOM 270 C SER A 16 -5.692 5.514 -9.479 1.00 0.00 C ATOM 271 O SER A 16 -5.666 6.424 -10.311 1.00 0.00 O ATOM 272 CB SER A 16 -6.086 2.983 -9.156 1.00 0.00 C ATOM 273 OG SER A 16 -5.854 2.951 -7.757 1.00 0.00 O ATOM 0 H SER A 16 -3.788 3.236 -8.644 1.00 0.00 H new ATOM 0 HA SER A 16 -5.395 4.015 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.145 3.152 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.833 2.017 -9.592 1.00 0.00 H new ATOM 0 HG SER A 16 -6.711 2.987 -7.282 1.00 0.00 H new ATOM 279 N ASN A 17 -6.121 5.711 -8.236 1.00 0.00 N ATOM 280 CA ASN A 17 -6.816 6.877 -7.713 1.00 0.00 C ATOM 281 C ASN A 17 -7.156 6.587 -6.263 1.00 0.00 C ATOM 282 O ASN A 17 -6.669 7.296 -5.392 1.00 0.00 O ATOM 283 CB ASN A 17 -8.073 7.182 -8.539 1.00 0.00 C ATOM 284 CG ASN A 17 -9.093 8.071 -7.842 1.00 0.00 C ATOM 285 OD1 ASN A 17 -8.759 8.908 -7.014 1.00 0.00 O ATOM 286 ND2 ASN A 17 -10.355 7.911 -8.193 1.00 0.00 N ATOM 0 H ASN A 17 -5.980 5.004 -7.515 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.185 7.763 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.771 7.660 -9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.554 6.240 -8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.079 8.493 -7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.606 7.206 -8.886 1.00 0.00 H new ATOM 293 N SER A 18 -7.848 5.491 -5.948 1.00 0.00 N ATOM 294 CA SER A 18 -8.222 5.188 -4.558 1.00 0.00 C ATOM 295 C SER A 18 -7.756 3.784 -4.180 1.00 0.00 C ATOM 296 O SER A 18 -6.970 3.178 -4.913 1.00 0.00 O ATOM 297 CB SER A 18 -9.710 5.539 -4.333 1.00 0.00 C ATOM 298 OG SER A 18 -10.171 5.396 -3.008 1.00 0.00 O ATOM 0 H SER A 18 -8.161 4.800 -6.629 1.00 0.00 H new ATOM 0 HA SER A 18 -7.698 5.820 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.874 6.570 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.317 4.907 -4.981 1.00 0.00 H new ATOM 0 HG SER A 18 -11.119 5.641 -2.963 1.00 0.00 H new ATOM 304 N PHE A 19 -8.113 3.337 -2.983 1.00 0.00 N ATOM 305 CA PHE A 19 -8.018 1.958 -2.540 1.00 0.00 C ATOM 306 C PHE A 19 -9.276 1.217 -2.986 1.00 0.00 C ATOM 307 O PHE A 19 -9.202 0.104 -3.491 1.00 0.00 O ATOM 308 CB PHE A 19 -7.909 1.942 -1.013 1.00 0.00 C ATOM 309 CG PHE A 19 -7.716 0.559 -0.423 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.833 -0.251 -0.136 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.422 0.079 -0.149 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.658 -1.509 0.465 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.250 -1.185 0.440 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.366 -1.970 0.769 1.00 0.00 C ATOM 0 H PHE A 19 -8.493 3.955 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.142 1.472 -2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.073 2.574 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.811 2.384 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.826 0.096 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.560 0.683 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.517 -2.122 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.255 -1.554 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.232 -2.925 1.254 1.00 0.00 H new ATOM 324 N GLU A 20 -10.444 1.847 -2.827 1.00 0.00 N ATOM 325 CA GLU A 20 -11.698 1.261 -3.277 1.00 0.00 C ATOM 326 C GLU A 20 -11.800 1.325 -4.803 1.00 0.00 C ATOM 327 O GLU A 20 -12.551 0.560 -5.399 1.00 0.00 O ATOM 328 CB GLU A 20 -12.896 1.977 -2.631 1.00 0.00 C ATOM 329 CG GLU A 20 -13.872 0.977 -2.019 1.00 0.00 C ATOM 330 CD GLU A 20 -15.299 1.508 -1.991 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.545 2.619 -1.475 1.00 0.00 O ATOM 332 OE2 GLU A 20 -16.212 0.748 -2.391 1.00 0.00 O ATOM 0 H GLU A 20 -10.541 2.763 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.716 0.215 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.542 2.661 -1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.410 2.579 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.843 0.048 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.555 0.738 -1.004 1.00 0.00 H new ATOM 339 N ASP A 21 -11.013 2.203 -5.431 1.00 0.00 N ATOM 340 CA ASP A 21 -10.781 2.242 -6.865 1.00 0.00 C ATOM 341 C ASP A 21 -9.288 2.044 -7.085 1.00 0.00 C ATOM 342 O ASP A 21 -8.530 2.980 -7.338 1.00 0.00 O ATOM 343 CB ASP A 21 -11.309 3.527 -7.510 1.00 0.00 C ATOM 344 CG ASP A 21 -11.094 3.474 -9.024 1.00 0.00 C ATOM 345 OD1 ASP A 21 -11.701 2.602 -9.684 1.00 0.00 O ATOM 346 OD2 ASP A 21 -10.370 4.345 -9.554 1.00 0.00 O ATOM 0 H ASP A 21 -10.504 2.931 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.338 1.445 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.369 3.647 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.796 4.392 -7.091 1.00 0.00 H new ATOM 351 N CYS A 22 -8.859 0.803 -6.901 1.00 0.00 N ATOM 352 CA CYS A 22 -7.717 0.186 -7.549 1.00 0.00 C ATOM 353 C CYS A 22 -8.143 -1.203 -8.025 1.00 0.00 C ATOM 354 O CYS A 22 -9.169 -1.729 -7.593 1.00 0.00 O ATOM 355 CB CYS A 22 -6.506 0.141 -6.609 1.00 0.00 C ATOM 356 SG CYS A 22 -6.749 -0.950 -5.193 1.00 0.00 S ATOM 0 H CYS A 22 -9.328 0.166 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.399 0.775 -8.409 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.631 -0.190 -7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.294 1.149 -6.251 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.754 -0.525 -4.485 1.00 0.00 H new ATOM 362 N LYS A 23 -7.352 -1.814 -8.901 1.00 0.00 N ATOM 363 CA LYS A 23 -7.605 -3.159 -9.409 1.00 0.00 C ATOM 364 C LYS A 23 -6.922 -4.178 -8.523 1.00 0.00 C ATOM 365 O LYS A 23 -7.468 -5.260 -8.323 1.00 0.00 O ATOM 366 CB LYS A 23 -7.012 -3.301 -10.811 1.00 0.00 C ATOM 367 CG LYS A 23 -7.854 -2.745 -11.966 1.00 0.00 C ATOM 368 CD LYS A 23 -8.541 -1.401 -11.715 1.00 0.00 C ATOM 369 CE LYS A 23 -9.208 -0.968 -13.016 1.00 0.00 C ATOM 370 NZ LYS A 23 -9.672 0.430 -12.969 1.00 0.00 N ATOM 0 H LYS A 23 -6.509 -1.386 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.682 -3.324 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.043 -2.803 -10.824 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.829 -4.359 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.211 -2.643 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.619 -3.480 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.280 -1.493 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.815 -0.655 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.504 -1.087 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.055 -1.623 -13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.769 0.796 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.593 0.474 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.982 1.008 -12.448 1.00 0.00 H new ATOM 384 N TYR A 24 -5.728 -3.863 -8.022 1.00 0.00 N ATOM 385 CA TYR A 24 -4.964 -4.777 -7.205 1.00 0.00 C ATOM 386 C TYR A 24 -4.041 -4.010 -6.270 1.00 0.00 C ATOM 387 O TYR A 24 -3.882 -2.791 -6.373 1.00 0.00 O ATOM 388 CB TYR A 24 -4.213 -5.768 -8.111 1.00 0.00 C ATOM 389 CG TYR A 24 -3.036 -5.224 -8.889 1.00 0.00 C ATOM 390 CD1 TYR A 24 -1.760 -5.255 -8.306 1.00 0.00 C ATOM 391 CD2 TYR A 24 -3.204 -4.747 -10.204 1.00 0.00 C ATOM 392 CE1 TYR A 24 -0.656 -4.792 -9.029 1.00 0.00 C ATOM 393 CE2 TYR A 24 -2.095 -4.282 -10.948 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.807 -4.330 -10.353 1.00 0.00 C ATOM 395 OH TYR A 24 0.328 -3.958 -11.002 1.00 0.00 O ATOM 0 H TYR A 24 -5.272 -2.964 -8.177 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.631 -5.358 -6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.859 -6.593 -7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.926 -6.186 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.631 -5.635 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.189 -4.736 -10.648 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.321 -4.788 -8.569 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.225 -3.898 -11.949 1.00 0.00 H new ATOM 0 HH TYR A 24 0.780 -3.253 -10.493 1.00 0.00 H new ATOM 405 N PHE A 25 -3.446 -4.770 -5.362 1.00 0.00 N ATOM 406 CA PHE A 25 -2.588 -4.358 -4.286 1.00 0.00 C ATOM 407 C PHE A 25 -1.239 -4.985 -4.555 1.00 0.00 C ATOM 408 O PHE A 25 -1.091 -6.211 -4.503 1.00 0.00 O ATOM 409 CB PHE A 25 -3.166 -4.815 -2.950 1.00 0.00 C ATOM 410 CG PHE A 25 -4.577 -4.334 -2.724 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.828 -2.954 -2.633 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.638 -5.255 -2.659 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.145 -2.501 -2.455 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.949 -4.796 -2.452 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.206 -3.418 -2.360 1.00 0.00 C ATOM 0 H PHE A 25 -3.570 -5.782 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.497 -3.273 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.148 -5.904 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.530 -4.452 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.014 -2.247 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.445 -6.312 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.344 -1.441 -2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.760 -5.503 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.216 -3.064 -2.217 1.00 0.00 H new ATOM 425 N LEU A 26 -0.267 -4.162 -4.932 1.00 0.00 N ATOM 426 CA LEU A 26 1.086 -4.641 -5.140 1.00 0.00 C ATOM 427 C LEU A 26 1.733 -4.788 -3.768 1.00 0.00 C ATOM 428 O LEU A 26 2.082 -3.784 -3.142 1.00 0.00 O ATOM 429 CB LEU A 26 1.846 -3.703 -6.085 1.00 0.00 C ATOM 430 CG LEU A 26 3.148 -4.263 -6.674 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.178 -4.626 -5.610 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.927 -5.453 -7.621 1.00 0.00 C ATOM 0 H LEU A 26 -0.394 -3.164 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 26 1.101 -5.614 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.184 -3.431 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.078 -2.784 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 26 3.550 -3.440 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.075 -5.016 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.433 -3.738 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.763 -5.384 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.888 -5.799 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.438 -6.263 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.298 -5.142 -8.455 1.00 0.00 H new ATOM 444 N ILE A 27 1.856 -6.023 -3.275 1.00 0.00 N ATOM 445 CA ILE A 27 2.444 -6.305 -1.976 1.00 0.00 C ATOM 446 C ILE A 27 3.973 -6.251 -2.092 1.00 0.00 C ATOM 447 O ILE A 27 4.640 -7.265 -2.315 1.00 0.00 O ATOM 448 CB ILE A 27 1.955 -7.624 -1.344 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.474 -7.982 -1.586 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.272 -7.573 0.155 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.540 -7.008 -0.974 1.00 0.00 C ATOM 0 H ILE A 27 1.546 -6.857 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 27 2.105 -5.533 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 27 2.490 -8.429 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.300 -8.035 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.287 -8.977 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.936 -8.495 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.347 -7.463 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.758 -6.725 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.551 -7.346 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.402 -6.971 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.388 -6.014 -1.394 1.00 0.00 H new ATOM 463 N VAL A 28 4.551 -5.071 -1.911 1.00 0.00 N ATOM 464 CA VAL A 28 5.978 -4.887 -1.751 1.00 0.00 C ATOM 465 C VAL A 28 6.398 -5.720 -0.540 1.00 0.00 C ATOM 466 O VAL A 28 5.817 -5.627 0.543 1.00 0.00 O ATOM 467 CB VAL A 28 6.340 -3.394 -1.589 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.836 -3.180 -1.868 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.602 -2.485 -2.567 1.00 0.00 C ATOM 0 H VAL A 28 4.024 -4.198 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 28 6.516 -5.219 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 28 6.059 -3.139 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.081 -2.124 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.425 -3.769 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.065 -3.495 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.902 -1.451 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.849 -2.773 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.527 -2.581 -2.412 1.00 0.00 H new ATOM 479 N ARG A 29 7.381 -6.588 -0.737 1.00 0.00 N ATOM 480 CA ARG A 29 8.192 -7.201 0.300 1.00 0.00 C ATOM 481 C ARG A 29 9.510 -6.440 0.221 1.00 0.00 C ATOM 482 O ARG A 29 10.181 -6.529 -0.812 1.00 0.00 O ATOM 483 CB ARG A 29 8.351 -8.698 -0.029 1.00 0.00 C ATOM 484 CG ARG A 29 8.908 -9.582 1.103 1.00 0.00 C ATOM 485 CD ARG A 29 7.787 -10.309 1.865 1.00 0.00 C ATOM 486 NE ARG A 29 8.314 -11.399 2.704 1.00 0.00 N ATOM 487 CZ ARG A 29 8.128 -11.633 4.009 1.00 0.00 C ATOM 488 NH1 ARG A 29 7.458 -10.783 4.771 1.00 0.00 N ATOM 489 NH2 ARG A 29 8.600 -12.754 4.536 1.00 0.00 N ATOM 0 H ARG A 29 7.646 -6.898 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 29 7.772 -7.150 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.378 -9.090 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.008 -8.792 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.598 -10.315 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.479 -8.966 1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.251 -9.595 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.067 -10.713 1.154 1.00 0.00 H new ATOM 0 HE ARG A 29 8.907 -12.074 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.072 -9.930 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.328 -10.981 5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.097 -13.424 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.466 -12.947 5.529 1.00 0.00 H new ATOM 503 N ILE A 30 9.833 -5.617 1.208 1.00 0.00 N ATOM 504 CA ILE A 30 11.205 -5.170 1.409 1.00 0.00 C ATOM 505 C ILE A 30 11.700 -6.067 2.542 1.00 0.00 C ATOM 506 O ILE A 30 10.930 -6.405 3.447 1.00 0.00 O ATOM 507 CB ILE A 30 11.268 -3.658 1.764 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.525 -2.739 0.760 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.704 -3.125 1.853 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.121 -2.337 1.220 1.00 0.00 C ATOM 0 H ILE A 30 9.164 -5.245 1.882 1.00 0.00 H new ATOM 0 HA ILE A 30 11.824 -5.254 0.516 1.00 0.00 H new ATOM 0 HB ILE A 30 10.774 -3.619 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.117 -1.838 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.451 -3.249 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.684 -2.064 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.247 -3.670 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.203 -3.261 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.662 -1.695 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.512 -3.231 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.188 -1.798 2.165 1.00 0.00 H new ATOM 522 N ASP A 31 12.968 -6.463 2.492 1.00 0.00 N ATOM 523 CA ASP A 31 13.618 -7.083 3.654 1.00 0.00 C ATOM 524 C ASP A 31 15.014 -6.531 3.876 1.00 0.00 C ATOM 525 O ASP A 31 15.689 -6.943 4.810 1.00 0.00 O ATOM 526 CB ASP A 31 13.620 -8.611 3.526 1.00 0.00 C ATOM 527 CG ASP A 31 14.017 -9.310 4.829 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.208 -9.243 5.791 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.051 -10.011 4.844 1.00 0.00 O ATOM 0 H ASP A 31 13.565 -6.369 1.671 1.00 0.00 H new ATOM 0 HA ASP A 31 13.036 -6.827 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.628 -8.948 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.310 -8.905 2.735 1.00 0.00 H new ATOM 534 N ASP A 32 15.463 -5.603 3.029 1.00 0.00 N ATOM 535 CA ASP A 32 16.858 -5.184 3.027 1.00 0.00 C ATOM 536 C ASP A 32 16.993 -3.811 2.376 1.00 0.00 C ATOM 537 O ASP A 32 17.790 -3.605 1.469 1.00 0.00 O ATOM 538 CB ASP A 32 17.664 -6.267 2.286 1.00 0.00 C ATOM 539 CG ASP A 32 19.099 -6.401 2.774 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.720 -5.412 3.227 1.00 0.00 O ATOM 541 OD2 ASP A 32 19.583 -7.558 2.791 1.00 0.00 O ATOM 0 H ASP A 32 14.879 -5.131 2.339 1.00 0.00 H new ATOM 0 HA ASP A 32 17.245 -5.082 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.159 -7.226 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.672 -6.037 1.221 1.00 0.00 H new ATOM 546 N ASN A 33 16.102 -2.894 2.761 1.00 0.00 N ATOM 547 CA ASN A 33 15.828 -1.598 2.125 1.00 0.00 C ATOM 548 C ASN A 33 15.412 -1.666 0.650 1.00 0.00 C ATOM 549 O ASN A 33 14.925 -0.663 0.135 1.00 0.00 O ATOM 550 CB ASN A 33 17.003 -0.622 2.297 1.00 0.00 C ATOM 551 CG ASN A 33 16.568 0.757 2.740 1.00 0.00 C ATOM 552 OD1 ASN A 33 16.760 1.741 2.033 1.00 0.00 O ATOM 553 ND2 ASN A 33 16.062 0.861 3.960 1.00 0.00 N ATOM 0 H ASN A 33 15.512 -3.045 3.580 1.00 0.00 H new ATOM 0 HA ASN A 33 14.955 -1.224 2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.701 -1.029 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.542 -0.541 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.820 1.778 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.914 0.024 4.524 1.00 0.00 H new ATOM 560 N GLU A 34 15.506 -2.819 -0.021 1.00 0.00 N ATOM 561 CA GLU A 34 15.115 -2.992 -1.416 1.00 0.00 C ATOM 562 C GLU A 34 14.104 -4.128 -1.582 1.00 0.00 C ATOM 563 O GLU A 34 13.971 -5.025 -0.731 1.00 0.00 O ATOM 564 CB GLU A 34 16.357 -3.209 -2.312 1.00 0.00 C ATOM 565 CG GLU A 34 17.001 -4.596 -2.110 1.00 0.00 C ATOM 566 CD GLU A 34 18.030 -5.012 -3.165 1.00 0.00 C ATOM 567 OE1 GLU A 34 17.858 -4.696 -4.363 1.00 0.00 O ATOM 568 OE2 GLU A 34 18.930 -5.811 -2.826 1.00 0.00 O ATOM 0 H GLU A 34 15.864 -3.674 0.404 1.00 0.00 H new ATOM 0 HA GLU A 34 14.623 -2.074 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.070 -3.095 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.095 -2.436 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.483 -4.613 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.209 -5.344 -2.088 1.00 0.00 H new ATOM 575 N VAL A 35 13.459 -4.105 -2.748 1.00 0.00 N ATOM 576 CA VAL A 35 12.552 -5.093 -3.293 1.00 0.00 C ATOM 577 C VAL A 35 13.099 -6.508 -3.104 1.00 0.00 C ATOM 578 O VAL A 35 14.235 -6.826 -3.466 1.00 0.00 O ATOM 579 CB VAL A 35 12.281 -4.729 -4.777 1.00 0.00 C ATOM 580 CG1 VAL A 35 13.547 -4.529 -5.629 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.415 -5.771 -5.496 1.00 0.00 C ATOM 0 H VAL A 35 13.575 -3.319 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 35 11.602 -5.083 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 35 11.756 -3.777 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.262 -4.278 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.144 -3.719 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 35 14.133 -5.448 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.259 -5.463 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.918 -6.738 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.452 -5.853 -4.993 1.00 0.00 H new ATOM 591 N LYS A 36 12.275 -7.388 -2.537 1.00 0.00 N ATOM 592 CA LYS A 36 12.500 -8.823 -2.608 1.00 0.00 C ATOM 593 C LYS A 36 11.764 -9.343 -3.847 1.00 0.00 C ATOM 594 O LYS A 36 12.323 -9.212 -4.932 1.00 0.00 O ATOM 595 CB LYS A 36 12.153 -9.459 -1.249 1.00 0.00 C ATOM 596 CG LYS A 36 13.056 -8.924 -0.126 1.00 0.00 C ATOM 597 CD LYS A 36 14.490 -9.458 -0.227 1.00 0.00 C ATOM 598 CE LYS A 36 15.534 -8.430 0.205 1.00 0.00 C ATOM 599 NZ LYS A 36 15.999 -7.584 -0.915 1.00 0.00 N ATOM 0 H LYS A 36 11.437 -7.124 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 36 13.542 -9.107 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.110 -9.254 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.258 -10.542 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.073 -7.835 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.634 -9.202 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.586 -10.349 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.689 -9.762 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.112 -7.795 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.388 -8.947 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.425 -6.713 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.707 -8.104 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.192 -7.339 -1.523 1.00 0.00 H new ATOM 613 N SER A 37 10.473 -9.695 -3.769 1.00 0.00 N ATOM 614 CA SER A 37 9.798 -10.389 -4.879 1.00 0.00 C ATOM 615 C SER A 37 8.566 -9.657 -5.409 1.00 0.00 C ATOM 616 O SER A 37 7.900 -10.143 -6.328 1.00 0.00 O ATOM 617 CB SER A 37 9.416 -11.806 -4.425 1.00 0.00 C ATOM 618 OG SER A 37 9.525 -12.759 -5.463 1.00 0.00 O ATOM 0 H SER A 37 9.879 -9.514 -2.960 1.00 0.00 H new ATOM 0 HA SER A 37 10.503 -10.422 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.058 -12.103 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.393 -11.799 -4.049 1.00 0.00 H new ATOM 0 HG SER A 37 9.273 -13.643 -5.123 1.00 0.00 H new ATOM 624 N THR A 38 8.208 -8.503 -4.838 1.00 0.00 N ATOM 625 CA THR A 38 6.865 -7.925 -4.958 1.00 0.00 C ATOM 626 C THR A 38 5.780 -8.984 -4.628 1.00 0.00 C ATOM 627 O THR A 38 6.090 -10.006 -3.999 1.00 0.00 O ATOM 628 CB THR A 38 6.726 -7.159 -6.304 1.00 0.00 C ATOM 629 OG1 THR A 38 7.288 -7.820 -7.426 1.00 0.00 O ATOM 630 CG2 THR A 38 7.455 -5.814 -6.236 1.00 0.00 C ATOM 0 H THR A 38 8.846 -7.939 -4.276 1.00 0.00 H new ATOM 0 HA THR A 38 6.698 -7.155 -4.205 1.00 0.00 H new ATOM 0 HB THR A 38 5.648 -7.069 -6.437 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.234 -8.790 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.346 -5.293 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.026 -5.207 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.513 -5.983 -6.034 1.00 0.00 H new ATOM 638 N LYS A 39 4.508 -8.725 -4.947 1.00 0.00 N ATOM 639 CA LYS A 39 3.391 -9.675 -5.007 1.00 0.00 C ATOM 640 C LYS A 39 2.186 -8.927 -5.549 1.00 0.00 C ATOM 641 O LYS A 39 2.191 -7.703 -5.505 1.00 0.00 O ATOM 642 CB LYS A 39 3.015 -10.246 -3.629 1.00 0.00 C ATOM 643 CG LYS A 39 3.030 -11.779 -3.526 1.00 0.00 C ATOM 644 CD LYS A 39 4.297 -12.309 -2.845 1.00 0.00 C ATOM 645 CE LYS A 39 5.328 -12.927 -3.810 1.00 0.00 C ATOM 646 NZ LYS A 39 5.005 -14.323 -4.183 1.00 0.00 N ATOM 0 H LYS A 39 4.210 -7.779 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 39 3.692 -10.511 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.703 -9.842 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.019 -9.891 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.155 -12.111 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.952 -12.208 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.771 -11.492 -2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.012 -13.060 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.383 -12.319 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.314 -12.899 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.732 -14.686 -4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.979 -14.914 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.077 -14.351 -4.652 1.00 0.00 H new ATOM 660 N VAL A 40 1.134 -9.628 -5.953 1.00 0.00 N ATOM 661 CA VAL A 40 -0.122 -9.039 -6.401 1.00 0.00 C ATOM 662 C VAL A 40 -1.242 -9.740 -5.636 1.00 0.00 C ATOM 663 O VAL A 40 -1.255 -10.969 -5.566 1.00 0.00 O ATOM 664 CB VAL A 40 -0.236 -9.208 -7.933 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.646 -8.919 -8.466 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.761 -8.289 -8.652 1.00 0.00 C ATOM 0 H VAL A 40 1.130 -10.648 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.182 -7.969 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.008 -10.254 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.661 -9.055 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.357 -9.604 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.923 -7.892 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.666 -8.422 -9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.550 -7.251 -8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.776 -8.541 -8.343 1.00 0.00 H new ATOM 676 N ILE A 41 -2.168 -8.965 -5.078 1.00 0.00 N ATOM 677 CA ILE A 41 -3.434 -9.421 -4.522 1.00 0.00 C ATOM 678 C ILE A 41 -4.477 -8.543 -5.200 1.00 0.00 C ATOM 679 O ILE A 41 -4.387 -7.324 -5.083 1.00 0.00 O ATOM 680 CB ILE A 41 -3.441 -9.242 -2.988 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.383 -10.130 -2.311 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.817 -9.571 -2.405 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.398 -10.004 -0.782 1.00 0.00 C ATOM 0 H ILE A 41 -2.048 -7.955 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.624 -10.480 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.203 -8.197 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.556 -11.170 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.395 -9.861 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.795 -9.437 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.564 -8.906 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.073 -10.605 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.632 -10.652 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.197 -8.970 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.376 -10.300 -0.402 1.00 0.00 H new ATOM 695 N PHE A 42 -5.421 -9.105 -5.945 1.00 0.00 N ATOM 696 CA PHE A 42 -6.446 -8.302 -6.596 1.00 0.00 C ATOM 697 C PHE A 42 -7.407 -7.703 -5.559 1.00 0.00 C ATOM 698 O PHE A 42 -7.569 -8.208 -4.450 1.00 0.00 O ATOM 699 CB PHE A 42 -7.175 -9.149 -7.652 1.00 0.00 C ATOM 700 CG PHE A 42 -6.750 -8.810 -9.067 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.385 -8.698 -9.409 1.00 0.00 C ATOM 702 CD2 PHE A 42 -7.732 -8.519 -10.030 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.008 -8.237 -10.682 1.00 0.00 C ATOM 704 CE2 PHE A 42 -7.354 -8.071 -11.303 1.00 0.00 C ATOM 705 CZ PHE A 42 -5.995 -7.903 -11.622 1.00 0.00 C ATOM 0 H PHE A 42 -5.497 -10.108 -6.112 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.979 -7.462 -7.110 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.982 -10.205 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.250 -8.999 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.627 -8.968 -8.689 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.778 -8.641 -9.789 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.963 -8.140 -10.936 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.110 -7.854 -12.043 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.711 -7.517 -12.590 1.00 0.00 H new ATOM 715 N ASN A 43 -8.092 -6.622 -5.924 1.00 0.00 N ATOM 716 CA ASN A 43 -9.127 -5.992 -5.111 1.00 0.00 C ATOM 717 C ASN A 43 -10.452 -6.726 -5.352 1.00 0.00 C ATOM 718 O ASN A 43 -11.385 -6.160 -5.927 1.00 0.00 O ATOM 719 CB ASN A 43 -9.152 -4.482 -5.425 1.00 0.00 C ATOM 720 CG ASN A 43 -10.339 -3.734 -4.823 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.787 -4.012 -3.710 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.863 -2.773 -5.563 1.00 0.00 N ATOM 0 H ASN A 43 -7.938 -6.149 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.928 -6.072 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.230 -4.031 -5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.164 -4.348 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.660 -2.239 -5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.471 -2.565 -6.481 1.00 0.00 H new ATOM 729 N ASP A 44 -10.539 -8.004 -4.960 1.00 0.00 N ATOM 730 CA ASP A 44 -11.650 -8.895 -5.343 1.00 0.00 C ATOM 731 C ASP A 44 -12.272 -9.640 -4.167 1.00 0.00 C ATOM 732 O ASP A 44 -12.811 -10.740 -4.297 1.00 0.00 O ATOM 733 CB ASP A 44 -11.222 -9.873 -6.423 1.00 0.00 C ATOM 734 CG ASP A 44 -10.323 -11.018 -5.953 1.00 0.00 C ATOM 735 OD1 ASP A 44 -9.748 -10.942 -4.844 1.00 0.00 O ATOM 736 OD2 ASP A 44 -10.187 -11.997 -6.723 1.00 0.00 O ATOM 0 H ASP A 44 -9.841 -8.453 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.427 -8.241 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.116 -10.299 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.699 -9.320 -7.203 1.00 0.00 H new ATOM 741 N GLU A 45 -12.182 -9.000 -3.008 1.00 0.00 N ATOM 742 CA GLU A 45 -12.693 -9.403 -1.696 1.00 0.00 C ATOM 743 C GLU A 45 -11.894 -10.581 -1.127 1.00 0.00 C ATOM 744 O GLU A 45 -11.312 -10.455 -0.049 1.00 0.00 O ATOM 745 CB GLU A 45 -14.213 -9.657 -1.777 1.00 0.00 C ATOM 746 CG GLU A 45 -14.891 -10.022 -0.444 1.00 0.00 C ATOM 747 CD GLU A 45 -14.977 -8.893 0.591 1.00 0.00 C ATOM 748 OE1 GLU A 45 -14.276 -7.860 0.472 1.00 0.00 O ATOM 749 OE2 GLU A 45 -15.730 -9.065 1.580 1.00 0.00 O ATOM 0 H GLU A 45 -11.705 -8.100 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.551 -8.591 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.693 -8.764 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.393 -10.462 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.901 -10.373 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.350 -10.857 0.001 1.00 0.00 H new ATOM 756 N SER A 46 -11.779 -11.681 -1.874 1.00 0.00 N ATOM 757 CA SER A 46 -10.890 -12.799 -1.587 1.00 0.00 C ATOM 758 C SER A 46 -9.450 -12.308 -1.399 1.00 0.00 C ATOM 759 O SER A 46 -8.723 -12.807 -0.536 1.00 0.00 O ATOM 760 CB SER A 46 -10.979 -13.793 -2.750 1.00 0.00 C ATOM 761 OG SER A 46 -10.386 -15.021 -2.390 1.00 0.00 O ATOM 0 H SER A 46 -12.324 -11.819 -2.725 1.00 0.00 H new ATOM 0 HA SER A 46 -11.191 -13.287 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.022 -13.951 -3.023 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.479 -13.383 -3.627 1.00 0.00 H new ATOM 0 HG SER A 46 -10.451 -15.648 -3.140 1.00 0.00 H new ATOM 767 N GLY A 47 -9.064 -11.297 -2.176 1.00 0.00 N ATOM 768 CA GLY A 47 -7.828 -10.574 -2.044 1.00 0.00 C ATOM 769 C GLY A 47 -7.698 -9.917 -0.677 1.00 0.00 C ATOM 770 O GLY A 47 -6.781 -10.208 0.090 1.00 0.00 O ATOM 0 H GLY A 47 -9.640 -10.955 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.991 -11.254 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.769 -9.811 -2.820 1.00 0.00 H new ATOM 774 N LYS A 48 -8.632 -9.018 -0.354 1.00 0.00 N ATOM 775 CA LYS A 48 -8.605 -8.240 0.885 1.00 0.00 C ATOM 776 C LYS A 48 -8.588 -9.156 2.104 1.00 0.00 C ATOM 777 O LYS A 48 -7.902 -8.839 3.070 1.00 0.00 O ATOM 778 CB LYS A 48 -9.799 -7.274 0.932 1.00 0.00 C ATOM 779 CG LYS A 48 -9.624 -6.121 -0.068 1.00 0.00 C ATOM 780 CD LYS A 48 -10.903 -5.306 -0.284 1.00 0.00 C ATOM 781 CE LYS A 48 -11.337 -4.482 0.938 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.456 -3.578 0.590 1.00 0.00 N ATOM 0 H LYS A 48 -9.433 -8.809 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.688 -7.651 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.717 -7.816 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.904 -6.872 1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.835 -5.458 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.294 -6.526 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.753 -4.633 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.711 -5.984 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.640 -5.150 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.494 -3.899 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.546 -2.840 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.270 -3.134 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.340 -4.123 0.539 1.00 0.00 H new ATOM 796 N LYS A 49 -9.265 -10.309 2.047 1.00 0.00 N ATOM 797 CA LYS A 49 -9.218 -11.338 3.086 1.00 0.00 C ATOM 798 C LYS A 49 -7.776 -11.681 3.469 1.00 0.00 C ATOM 799 O LYS A 49 -7.502 -11.828 4.663 1.00 0.00 O ATOM 800 CB LYS A 49 -9.953 -12.605 2.610 1.00 0.00 C ATOM 801 CG LYS A 49 -11.364 -12.770 3.184 1.00 0.00 C ATOM 802 CD LYS A 49 -11.954 -14.082 2.642 1.00 0.00 C ATOM 803 CE LYS A 49 -13.308 -14.480 3.233 1.00 0.00 C ATOM 804 NZ LYS A 49 -13.260 -14.710 4.687 1.00 0.00 N ATOM 0 H LYS A 49 -9.870 -10.555 1.264 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.716 -10.943 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.016 -12.587 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.359 -13.478 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.331 -12.790 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.991 -11.925 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.059 -13.995 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.243 -14.886 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.035 -13.697 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.661 -15.386 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.189 -15.042 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.540 -15.429 4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.017 -13.822 5.171 1.00 0.00 H new ATOM 818 N SER A 50 -6.885 -11.838 2.492 1.00 0.00 N ATOM 819 CA SER A 50 -5.488 -12.178 2.729 1.00 0.00 C ATOM 820 C SER A 50 -4.755 -11.046 3.451 1.00 0.00 C ATOM 821 O SER A 50 -4.030 -11.301 4.417 1.00 0.00 O ATOM 822 CB SER A 50 -4.828 -12.543 1.392 1.00 0.00 C ATOM 823 OG SER A 50 -5.450 -13.690 0.830 1.00 0.00 O ATOM 0 H SER A 50 -7.117 -11.731 1.505 1.00 0.00 H new ATOM 0 HA SER A 50 -5.430 -13.043 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.905 -11.704 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.766 -12.735 1.544 1.00 0.00 H new ATOM 0 HG SER A 50 -5.020 -13.910 -0.023 1.00 0.00 H new ATOM 829 N ILE A 51 -4.980 -9.802 3.027 1.00 0.00 N ATOM 830 CA ILE A 51 -4.308 -8.614 3.552 1.00 0.00 C ATOM 831 C ILE A 51 -4.537 -8.499 5.063 1.00 0.00 C ATOM 832 O ILE A 51 -3.613 -8.140 5.796 1.00 0.00 O ATOM 833 CB ILE A 51 -4.820 -7.360 2.795 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.550 -7.512 1.283 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.160 -6.075 3.309 1.00 0.00 C ATOM 836 CD1 ILE A 51 -4.978 -6.327 0.420 1.00 0.00 C ATOM 0 H ILE A 51 -5.652 -9.588 2.290 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.233 -8.695 3.393 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.892 -7.281 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.483 -7.680 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.065 -8.404 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.546 -5.220 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.384 -5.950 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.081 -6.140 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.745 -6.534 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.051 -6.167 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.444 -5.432 0.740 1.00 0.00 H new ATOM 848 N VAL A 52 -5.738 -8.842 5.548 1.00 0.00 N ATOM 849 CA VAL A 52 -6.062 -8.779 6.971 1.00 0.00 C ATOM 850 C VAL A 52 -5.048 -9.581 7.791 1.00 0.00 C ATOM 851 O VAL A 52 -4.572 -9.105 8.825 1.00 0.00 O ATOM 852 CB VAL A 52 -7.502 -9.267 7.241 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.908 -8.993 8.696 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.536 -8.648 6.292 1.00 0.00 C ATOM 0 H VAL A 52 -6.507 -9.169 4.963 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.005 -7.736 7.282 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.495 -10.341 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.926 -9.345 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.228 -9.517 9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.858 -7.922 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.527 -9.031 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.529 -7.564 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.287 -8.908 5.263 1.00 0.00 H new ATOM 864 N LYS A 53 -4.719 -10.796 7.340 1.00 0.00 N ATOM 865 CA LYS A 53 -3.769 -11.659 8.030 1.00 0.00 C ATOM 866 C LYS A 53 -2.362 -11.123 7.844 1.00 0.00 C ATOM 867 O LYS A 53 -1.542 -11.263 8.751 1.00 0.00 O ATOM 868 CB LYS A 53 -3.835 -13.103 7.495 1.00 0.00 C ATOM 869 CG LYS A 53 -4.954 -13.946 8.119 1.00 0.00 C ATOM 870 CD LYS A 53 -6.365 -13.571 7.649 1.00 0.00 C ATOM 871 CE LYS A 53 -7.440 -14.286 8.472 1.00 0.00 C ATOM 872 NZ LYS A 53 -7.462 -15.747 8.259 1.00 0.00 N ATOM 0 H LYS A 53 -5.105 -11.203 6.488 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.030 -11.669 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.975 -13.074 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.879 -13.593 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.774 -14.996 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.907 -13.846 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.502 -12.493 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.480 -13.829 6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.273 -14.082 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.417 -13.874 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.210 -16.172 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.649 -15.949 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.542 -16.151 8.527 1.00 0.00 H new ATOM 886 N GLU A 54 -2.053 -10.540 6.683 1.00 0.00 N ATOM 887 CA GLU A 54 -0.668 -10.420 6.276 1.00 0.00 C ATOM 888 C GLU A 54 0.109 -9.398 7.107 1.00 0.00 C ATOM 889 O GLU A 54 1.337 -9.444 7.090 1.00 0.00 O ATOM 890 CB GLU A 54 -0.536 -10.188 4.763 1.00 0.00 C ATOM 891 CG GLU A 54 -0.393 -8.775 4.213 1.00 0.00 C ATOM 892 CD GLU A 54 0.051 -8.957 2.762 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.247 -9.310 2.569 1.00 0.00 O ATOM 894 OE2 GLU A 54 -0.819 -8.877 1.880 1.00 0.00 O ATOM 0 H GLU A 54 -2.732 -10.154 6.027 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.196 -11.380 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.330 -10.756 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.413 -10.631 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.336 -8.232 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.340 -8.203 4.781 1.00 0.00 H new ATOM 901 N ASN A 55 -0.582 -8.536 7.869 1.00 0.00 N ATOM 902 CA ASN A 55 -0.015 -7.400 8.597 1.00 0.00 C ATOM 903 C ASN A 55 0.954 -6.653 7.691 1.00 0.00 C ATOM 904 O ASN A 55 2.145 -6.528 7.975 1.00 0.00 O ATOM 905 CB ASN A 55 0.609 -7.802 9.943 1.00 0.00 C ATOM 906 CG ASN A 55 0.968 -6.646 10.891 1.00 0.00 C ATOM 907 OD1 ASN A 55 0.907 -5.381 10.495 1.00 0.00 O flip ATOM 908 ND2 ASN A 55 1.294 -6.921 12.050 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.591 -8.618 7.997 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.826 -6.723 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.084 -8.466 10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.513 -8.377 9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.339 -7.895 12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.518 -6.174 12.708 1.00 0.00 H new ATOM 915 N VAL A 56 0.393 -6.101 6.614 1.00 0.00 N ATOM 916 CA VAL A 56 1.014 -4.986 5.915 1.00 0.00 C ATOM 917 C VAL A 56 1.509 -3.979 6.962 1.00 0.00 C ATOM 918 O VAL A 56 0.846 -3.775 7.981 1.00 0.00 O ATOM 919 CB VAL A 56 0.027 -4.308 4.947 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.777 -3.611 3.819 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.993 -5.224 4.270 1.00 0.00 C ATOM 0 H VAL A 56 -0.491 -6.411 6.210 1.00 0.00 H new ATOM 0 HA VAL A 56 1.848 -5.355 5.318 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.520 -3.625 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.063 -3.138 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.439 -2.853 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.366 -4.343 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.632 -4.634 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.470 -5.980 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.605 -5.711 5.029 1.00 0.00 H new ATOM 931 N ASN A 57 2.681 -3.404 6.730 1.00 0.00 N ATOM 932 CA ASN A 57 3.199 -2.299 7.519 1.00 0.00 C ATOM 933 C ASN A 57 2.419 -1.043 7.148 1.00 0.00 C ATOM 934 O ASN A 57 1.918 -0.344 8.030 1.00 0.00 O ATOM 935 CB ASN A 57 4.708 -2.155 7.268 1.00 0.00 C ATOM 936 CG ASN A 57 5.286 -0.904 7.893 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.236 0.170 7.302 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.908 -1.030 9.045 1.00 0.00 N ATOM 0 H ASN A 57 3.305 -3.697 5.979 1.00 0.00 H new ATOM 0 HA ASN A 57 3.071 -2.476 8.587 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.224 -3.028 7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.894 -2.139 6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.365 -0.222 9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.934 -1.935 9.514 1.00 0.00 H new ATOM 945 N ALA A 58 2.257 -0.782 5.844 1.00 0.00 N ATOM 946 CA ALA A 58 1.576 0.422 5.396 1.00 0.00 C ATOM 947 C ALA A 58 0.909 0.270 4.030 1.00 0.00 C ATOM 948 O ALA A 58 1.243 -0.622 3.259 1.00 0.00 O ATOM 949 CB ALA A 58 2.597 1.558 5.357 1.00 0.00 C ATOM 0 H ALA A 58 2.588 -1.388 5.093 1.00 0.00 H new ATOM 0 HA ALA A 58 0.771 0.634 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.110 2.474 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.011 1.710 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.400 1.302 4.666 1.00 0.00 H new ATOM 955 N ILE A 59 -0.012 1.164 3.680 1.00 0.00 N ATOM 956 CA ILE A 59 -0.629 1.236 2.364 1.00 0.00 C ATOM 957 C ILE A 59 -0.468 2.667 1.869 1.00 0.00 C ATOM 958 O ILE A 59 -1.110 3.573 2.395 1.00 0.00 O ATOM 959 CB ILE A 59 -2.094 0.761 2.457 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.101 -0.737 2.827 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.803 0.981 1.112 1.00 0.00 C ATOM 962 CD1 ILE A 59 -3.451 -1.328 3.241 1.00 0.00 C ATOM 0 H ILE A 59 -0.357 1.876 4.323 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.153 0.576 1.639 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.624 1.331 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.728 -1.302 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.396 -0.891 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.837 0.643 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.785 2.041 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.291 0.415 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.328 -2.385 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.825 -0.801 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.162 -1.219 2.422 1.00 0.00 H new ATOM 974 N ILE A 60 0.405 2.874 0.886 1.00 0.00 N ATOM 975 CA ILE A 60 0.476 4.130 0.155 1.00 0.00 C ATOM 976 C ILE A 60 -0.662 4.052 -0.870 1.00 0.00 C ATOM 977 O ILE A 60 -0.725 3.073 -1.620 1.00 0.00 O ATOM 978 CB ILE A 60 1.850 4.337 -0.533 1.00 0.00 C ATOM 979 CG1 ILE A 60 3.080 3.862 0.283 1.00 0.00 C ATOM 980 CG2 ILE A 60 2.032 5.821 -0.899 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.136 3.305 -0.671 1.00 0.00 C ATOM 0 H ILE A 60 1.081 2.175 0.577 1.00 0.00 H new ATOM 0 HA ILE A 60 0.372 4.985 0.823 1.00 0.00 H new ATOM 0 HB ILE A 60 1.819 3.703 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.493 4.692 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.782 3.097 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.999 5.961 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.238 6.128 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.988 6.427 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.002 2.970 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.719 2.464 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.441 4.083 -1.370 1.00 0.00 H new ATOM 993 N CYS A 61 -1.556 5.039 -0.889 1.00 0.00 N ATOM 994 CA CYS A 61 -2.542 5.241 -1.942 1.00 0.00 C ATOM 995 C CYS A 61 -2.707 6.739 -2.185 1.00 0.00 C ATOM 996 O CYS A 61 -2.115 7.557 -1.486 1.00 0.00 O ATOM 997 CB CYS A 61 -3.891 4.592 -1.576 1.00 0.00 C ATOM 998 SG CYS A 61 -4.564 5.283 -0.044 1.00 0.00 S ATOM 0 H CYS A 61 -1.614 5.739 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.192 4.760 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.602 4.744 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.760 3.516 -1.464 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.815 5.589 -0.219 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.528 7.128 -3.161 1.00 0.00 N ATOM 1005 CA LYS A 62 -3.976 8.516 -3.270 1.00 0.00 C ATOM 1006 C LYS A 62 -5.249 8.749 -2.444 1.00 0.00 C ATOM 1007 O LYS A 62 -5.385 9.803 -1.832 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.133 8.907 -4.750 1.00 0.00 C ATOM 1009 CG LYS A 62 -2.803 9.297 -5.387 1.00 0.00 C ATOM 1010 CD LYS A 62 -2.985 9.832 -6.808 1.00 0.00 C ATOM 1011 CE LYS A 62 -1.608 10.066 -7.435 1.00 0.00 C ATOM 1012 NZ LYS A 62 -0.854 11.159 -6.788 1.00 0.00 N ATOM 0 H LYS A 62 -3.894 6.507 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.218 9.175 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.567 8.072 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.831 9.740 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.315 10.055 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.143 8.430 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.555 9.122 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.553 10.762 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.027 9.146 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.732 10.295 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.047 11.303 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.413 12.035 -6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.663 10.910 -5.796 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.189 7.801 -2.403 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.524 8.002 -1.817 1.00 0.00 C ATOM 1028 C ASN A 63 -7.965 6.719 -1.124 1.00 0.00 C ATOM 1029 O ASN A 63 -7.379 5.660 -1.374 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.528 8.446 -2.906 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.400 9.946 -3.153 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -9.083 10.771 -2.549 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.494 10.326 -4.042 1.00 0.00 N ATOM 0 H ASN A 63 -6.047 6.863 -2.778 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.488 8.797 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.340 7.900 -3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.545 8.206 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.354 11.318 -4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.937 9.627 -4.533 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.967 6.810 -0.250 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.499 5.704 0.540 1.00 0.00 C ATOM 1042 C ILE A 64 -10.850 6.133 1.133 1.00 0.00 C ATOM 1043 O ILE A 64 -10.971 7.223 1.690 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.476 5.287 1.635 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.982 4.065 2.431 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.070 6.449 2.563 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.014 3.557 3.502 1.00 0.00 C ATOM 0 H ILE A 64 -9.448 7.691 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.662 4.827 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.564 4.996 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.927 4.325 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.189 3.254 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.355 6.090 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.614 7.244 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.954 6.836 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.452 2.698 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.075 3.262 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.825 4.349 4.226 1.00 0.00 H new ATOM 1059 N SER A 65 -11.867 5.283 1.021 1.00 0.00 N ATOM 1060 CA SER A 65 -13.189 5.499 1.615 1.00 0.00 C ATOM 1061 C SER A 65 -13.140 5.507 3.155 1.00 0.00 C ATOM 1062 O SER A 65 -12.232 4.919 3.748 1.00 0.00 O ATOM 1063 CB SER A 65 -14.140 4.416 1.090 1.00 0.00 C ATOM 1064 OG SER A 65 -13.615 3.111 1.294 1.00 0.00 O ATOM 0 H SER A 65 -11.797 4.406 0.505 1.00 0.00 H new ATOM 0 HA SER A 65 -13.554 6.484 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.103 4.503 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.320 4.574 0.027 1.00 0.00 H new ATOM 0 HG SER A 65 -14.247 2.446 0.949 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.131 6.121 3.813 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.300 6.144 5.269 1.00 0.00 C ATOM 1072 C GLU A 66 -14.224 4.728 5.843 1.00 0.00 C ATOM 1073 O GLU A 66 -13.425 4.457 6.745 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.605 6.879 5.650 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.968 6.672 7.137 1.00 0.00 C ATOM 1076 CD GLU A 66 -16.605 7.864 7.861 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -17.137 8.815 7.251 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -16.511 7.908 9.111 1.00 0.00 O ATOM 0 H GLU A 66 -14.865 6.635 3.326 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.480 6.706 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.494 7.944 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.421 6.519 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.652 5.826 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.061 6.393 7.673 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.045 3.829 5.304 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.296 2.531 5.910 1.00 0.00 C ATOM 1087 C GLU A 67 -14.060 1.637 5.838 1.00 0.00 C ATOM 1088 O GLU A 67 -13.759 0.879 6.765 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.478 1.874 5.185 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.310 0.974 6.111 1.00 0.00 C ATOM 1091 CD GLU A 67 -17.404 -0.448 5.569 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -16.499 -1.252 5.923 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -18.344 -0.728 4.800 1.00 0.00 O ATOM 0 H GLU A 67 -15.554 3.984 4.434 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.534 2.667 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.119 2.649 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.104 1.283 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.861 0.957 7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.312 1.390 6.221 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.333 1.702 4.721 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.059 1.005 4.594 1.00 0.00 C ATOM 1102 C ASN A 68 -10.990 1.662 5.457 1.00 0.00 C ATOM 1103 O ASN A 68 -10.214 0.930 6.060 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.596 0.887 3.139 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.284 -0.240 2.369 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.630 -1.277 2.942 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.473 -0.082 1.069 1.00 0.00 N ATOM 0 H ASN A 68 -13.608 2.231 3.893 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.218 -0.011 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.783 1.832 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.519 0.723 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.911 -0.824 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.181 0.782 0.612 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.953 2.991 5.579 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.941 3.652 6.396 1.00 0.00 C ATOM 1116 C TYR A 69 -9.956 3.123 7.824 1.00 0.00 C ATOM 1117 O TYR A 69 -8.944 2.588 8.271 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.081 5.173 6.324 1.00 0.00 C ATOM 1119 CG TYR A 69 -9.021 5.907 7.117 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.200 6.170 8.490 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.824 6.288 6.485 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.167 6.774 9.229 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.789 6.879 7.218 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.951 7.126 8.597 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.924 7.680 9.300 1.00 0.00 O ATOM 0 H TYR A 69 -11.610 3.625 5.124 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.959 3.412 5.988 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.029 5.487 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.066 5.459 6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.129 5.908 8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.702 6.123 5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.302 6.970 10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.865 7.146 6.727 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.278 8.077 8.678 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.092 3.195 8.525 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.165 2.778 9.933 1.00 0.00 C ATOM 1137 C LYS A 70 -10.725 1.330 10.084 1.00 0.00 C ATOM 1138 O LYS A 70 -9.958 1.008 10.994 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.580 2.967 10.506 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.996 4.436 10.424 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.311 4.730 11.157 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.800 6.161 10.891 1.00 0.00 C ATOM 1143 NZ LYS A 70 -13.754 7.189 11.101 1.00 0.00 N ATOM 0 H LYS A 70 -11.974 3.537 8.143 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.487 3.415 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.289 2.350 9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.607 2.632 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.205 5.056 10.846 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.099 4.721 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.073 4.019 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.171 4.586 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.164 6.228 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.646 6.375 11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.186 8.135 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.304 7.042 12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.037 7.113 10.352 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.197 0.480 9.168 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.847 -0.923 9.057 1.00 0.00 C ATOM 1159 C LYS A 71 -9.333 -1.082 8.989 1.00 0.00 C ATOM 1160 O LYS A 71 -8.733 -1.611 9.928 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.628 -1.508 7.869 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.590 -3.030 7.753 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.843 -3.593 7.055 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.041 -3.121 5.604 1.00 0.00 C ATOM 1165 NZ LYS A 71 -13.878 -1.903 5.470 1.00 0.00 N ATOM 0 H LYS A 71 -11.864 0.773 8.454 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.137 -1.496 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.668 -1.191 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.233 -1.079 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.702 -3.328 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.504 -3.466 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.788 -4.682 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.722 -3.313 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.064 -2.928 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.498 -3.927 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.721 -1.475 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.881 -2.158 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.619 -1.220 6.211 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.702 -0.662 7.895 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.297 -0.976 7.646 1.00 0.00 C ATOM 1181 C PHE A 72 -6.387 -0.245 8.647 1.00 0.00 C ATOM 1182 O PHE A 72 -5.452 -0.856 9.172 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.955 -0.748 6.163 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.504 -1.858 5.267 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -8.794 -1.780 4.710 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -6.744 -3.019 5.035 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -9.331 -2.851 3.973 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -7.280 -4.103 4.320 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.580 -4.025 3.793 1.00 0.00 C ATOM 0 H PHE A 72 -9.143 -0.102 7.165 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.111 -2.035 7.826 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.362 0.211 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.873 -0.691 6.046 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.381 -0.884 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.734 -3.078 5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.320 -2.771 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.692 -4.997 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.999 -4.861 3.253 1.00 0.00 H new ATOM 1199 N SER A 73 -6.728 0.994 9.026 1.00 0.00 N ATOM 1200 CA SER A 73 -5.997 1.821 9.991 1.00 0.00 C ATOM 1201 C SER A 73 -5.778 1.117 11.335 1.00 0.00 C ATOM 1202 O SER A 73 -4.821 1.434 12.042 1.00 0.00 O ATOM 1203 CB SER A 73 -6.745 3.153 10.173 1.00 0.00 C ATOM 1204 OG SER A 73 -6.111 4.035 11.077 1.00 0.00 O ATOM 0 H SER A 73 -7.553 1.464 8.653 1.00 0.00 H new ATOM 0 HA SER A 73 -5.000 2.008 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.839 3.644 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.756 2.948 10.526 1.00 0.00 H new ATOM 0 HG SER A 73 -6.633 4.862 11.148 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.610 0.137 11.710 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.471 -0.541 12.996 1.00 0.00 C ATOM 1212 C LYS A 74 -5.173 -1.352 13.130 1.00 0.00 C ATOM 1213 O LYS A 74 -4.912 -1.865 14.218 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.714 -1.409 13.263 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.023 -1.434 14.768 1.00 0.00 C ATOM 1216 CD LYS A 74 -9.243 -2.270 15.154 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.936 -3.755 15.359 1.00 0.00 C ATOM 1218 NZ LYS A 74 -8.777 -4.502 14.101 1.00 0.00 N ATOM 0 H LYS A 74 -7.384 -0.201 11.139 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.400 0.233 13.760 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.569 -1.014 12.714 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.544 -2.423 12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.152 -1.820 15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.177 -0.411 15.111 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.672 -1.867 16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.001 -2.169 14.377 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.023 -3.851 15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.739 -4.207 15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.976 -5.509 14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.440 -4.131 13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.802 -4.395 13.754 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.387 -1.573 12.069 1.00 0.00 N ATOM 1233 CA LYS A 75 -3.099 -2.279 12.180 1.00 0.00 C ATOM 1234 C LYS A 75 -2.128 -1.931 11.048 1.00 0.00 C ATOM 1235 O LYS A 75 -1.085 -2.565 10.933 1.00 0.00 O ATOM 1236 CB LYS A 75 -3.359 -3.800 12.217 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.328 -4.650 12.985 1.00 0.00 C ATOM 1238 CD LYS A 75 -2.279 -4.351 14.495 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.497 -5.405 15.289 1.00 0.00 C ATOM 1240 NZ LYS A 75 -2.141 -6.741 15.298 1.00 0.00 N ATOM 0 H LYS A 75 -4.618 -1.274 11.122 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.621 -1.953 13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.340 -3.969 12.661 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.406 -4.164 11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.560 -5.705 12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.340 -4.480 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.823 -3.374 14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.296 -4.294 14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.496 -5.496 14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.380 -5.061 16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.679 -7.344 16.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.149 -6.639 15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.047 -7.178 14.359 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.499 -1.017 10.152 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.768 -0.725 8.930 1.00 0.00 C ATOM 1256 C ILE A 76 -1.838 0.783 8.741 1.00 0.00 C ATOM 1257 O ILE A 76 -2.931 1.353 8.704 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.391 -1.457 7.721 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.558 -2.981 7.929 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.515 -1.173 6.490 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.487 -3.620 6.900 1.00 0.00 C ATOM 0 H ILE A 76 -3.338 -0.448 10.263 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.736 -1.068 9.002 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.403 -1.075 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.580 -3.460 7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.949 -3.166 8.929 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.934 -1.680 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.485 -0.099 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.504 -1.538 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.566 -4.689 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.475 -3.165 6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.084 -3.463 5.899 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.690 1.432 8.608 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.617 2.878 8.466 1.00 0.00 C ATOM 1275 C GLU A 77 -0.859 3.249 7.004 1.00 0.00 C ATOM 1276 O GLU A 77 -0.299 2.640 6.099 1.00 0.00 O ATOM 1277 CB GLU A 77 0.751 3.357 8.957 1.00 0.00 C ATOM 1278 CG GLU A 77 0.850 3.145 10.473 1.00 0.00 C ATOM 1279 CD GLU A 77 2.215 3.522 11.039 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.446 4.731 11.265 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.038 2.635 11.334 1.00 0.00 O ATOM 0 H GLU A 77 0.219 0.969 8.596 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.383 3.368 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.545 2.809 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.888 4.411 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.081 3.738 10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.644 2.100 10.702 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.707 4.236 6.733 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.026 4.634 5.363 1.00 0.00 C ATOM 1290 C ILE A 78 -1.263 5.922 5.031 1.00 0.00 C ATOM 1291 O ILE A 78 -1.191 6.819 5.874 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.556 4.704 5.184 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.218 3.374 5.626 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.914 4.938 3.709 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -4.969 3.465 6.954 1.00 0.00 C ATOM 0 H ILE A 78 -2.190 4.779 7.449 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.693 3.895 4.634 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.920 5.528 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.911 3.049 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.448 2.606 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.998 4.985 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.475 5.877 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.524 4.118 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.403 2.494 7.194 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.277 3.758 7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.763 4.208 6.873 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.698 6.014 3.824 1.00 0.00 N ATOM 1308 CA TYR A 79 0.183 7.085 3.353 1.00 0.00 C ATOM 1309 C TYR A 79 -0.294 7.619 1.999 1.00 0.00 C ATOM 1310 O TYR A 79 -0.972 6.893 1.271 1.00 0.00 O ATOM 1311 CB TYR A 79 1.626 6.567 3.251 1.00 0.00 C ATOM 1312 CG TYR A 79 2.313 6.319 4.586 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.065 5.156 5.339 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.243 7.253 5.064 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.795 4.908 6.516 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.958 7.029 6.254 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.751 5.837 6.980 1.00 0.00 C ATOM 1318 OH TYR A 79 4.448 5.585 8.123 1.00 0.00 O ATOM 0 H TYR A 79 -0.852 5.303 3.109 1.00 0.00 H new ATOM 0 HA TYR A 79 0.153 7.906 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.624 5.637 2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.216 7.287 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.313 4.453 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.414 8.163 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.622 3.997 7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.662 7.766 6.611 1.00 0.00 H new ATOM 0 HH TYR A 79 5.066 6.325 8.299 1.00 0.00 H new ATOM 1328 N HIS A 80 0.061 8.862 1.653 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.388 9.531 0.437 1.00 0.00 C ATOM 1330 C HIS A 80 0.670 9.434 -0.667 1.00 0.00 C ATOM 1331 O HIS A 80 1.864 9.604 -0.414 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.795 10.988 0.708 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.520 11.580 -0.479 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.030 12.506 -1.377 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.747 11.180 -0.932 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -1.947 12.640 -2.353 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.007 11.844 -2.135 1.00 0.00 N ATOM 0 H HIS A 80 0.680 9.437 2.224 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.280 9.013 0.085 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.436 11.032 1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.092 11.582 0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.402 10.473 -0.445 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.844 13.301 -3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.832 11.744 -2.726 1.00 0.00 H new ATOM 1345 N ALA A 81 0.222 9.165 -1.889 1.00 0.00 N ATOM 1346 CA ALA A 81 1.016 8.903 -3.082 1.00 0.00 C ATOM 1347 C ALA A 81 1.367 10.187 -3.848 1.00 0.00 C ATOM 1348 O ALA A 81 0.469 10.921 -4.275 1.00 0.00 O ATOM 1349 CB ALA A 81 0.198 7.954 -3.958 1.00 0.00 C ATOM 0 H ALA A 81 -0.778 9.122 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 81 1.971 8.460 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.754 7.728 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.004 7.031 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.749 8.426 -4.220 1.00 0.00 H new ATOM 1355 N GLU A 82 2.666 10.432 -4.051 1.00 0.00 N ATOM 1356 CA GLU A 82 3.242 11.608 -4.697 1.00 0.00 C ATOM 1357 C GLU A 82 3.651 11.268 -6.128 1.00 0.00 C ATOM 1358 O GLU A 82 4.627 10.546 -6.351 1.00 0.00 O ATOM 1359 CB GLU A 82 4.474 12.085 -3.906 1.00 0.00 C ATOM 1360 CG GLU A 82 4.112 13.023 -2.755 1.00 0.00 C ATOM 1361 CD GLU A 82 3.569 14.353 -3.311 1.00 0.00 C ATOM 1362 OE1 GLU A 82 2.345 14.468 -3.537 1.00 0.00 O ATOM 1363 OE2 GLU A 82 4.398 15.232 -3.662 1.00 0.00 O ATOM 0 H GLU A 82 3.383 9.773 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 82 2.497 12.403 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.003 11.219 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.159 12.595 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.365 12.555 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.990 13.209 -2.137 1.00 0.00 H new ATOM 1370 N GLY A 83 2.930 11.785 -7.121 1.00 0.00 N ATOM 1371 CA GLY A 83 3.001 11.250 -8.470 1.00 0.00 C ATOM 1372 C GLY A 83 2.094 10.039 -8.584 1.00 0.00 C ATOM 1373 O GLY A 83 1.372 9.686 -7.652 1.00 0.00 O ATOM 0 H GLY A 83 2.292 12.573 -7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.701 12.011 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.028 10.972 -8.709 1.00 0.00 H new ATOM 1377 N ASP A 84 2.116 9.410 -9.751 1.00 0.00 N ATOM 1378 CA ASP A 84 1.327 8.211 -10.049 1.00 0.00 C ATOM 1379 C ASP A 84 2.250 7.039 -10.371 1.00 0.00 C ATOM 1380 O ASP A 84 1.795 5.921 -10.614 1.00 0.00 O ATOM 1381 CB ASP A 84 0.369 8.515 -11.204 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.834 9.333 -10.726 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.705 10.566 -10.532 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.915 8.747 -10.522 1.00 0.00 O ATOM 0 H ASP A 84 2.691 9.720 -10.534 1.00 0.00 H new ATOM 0 HA ASP A 84 0.736 7.927 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.898 9.063 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.024 7.582 -11.649 1.00 0.00 H new ATOM 1389 N ASP A 85 3.559 7.298 -10.375 1.00 0.00 N ATOM 1390 CA ASP A 85 4.586 6.306 -10.632 1.00 0.00 C ATOM 1391 C ASP A 85 4.772 5.469 -9.377 1.00 0.00 C ATOM 1392 O ASP A 85 5.388 5.927 -8.409 1.00 0.00 O ATOM 1393 CB ASP A 85 5.903 6.976 -11.040 1.00 0.00 C ATOM 1394 CG ASP A 85 6.512 6.247 -12.226 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.182 5.213 -12.026 1.00 0.00 O ATOM 1396 OD2 ASP A 85 6.317 6.732 -13.363 1.00 0.00 O ATOM 0 H ASP A 85 3.936 8.228 -10.194 1.00 0.00 H new ATOM 0 HA ASP A 85 4.279 5.666 -11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.725 8.020 -11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.599 6.968 -10.201 1.00 0.00 H new ATOM 1401 N VAL A 86 4.237 4.250 -9.375 1.00 0.00 N ATOM 1402 CA VAL A 86 4.447 3.308 -8.284 1.00 0.00 C ATOM 1403 C VAL A 86 5.927 3.172 -7.953 1.00 0.00 C ATOM 1404 O VAL A 86 6.263 3.114 -6.774 1.00 0.00 O ATOM 1405 CB VAL A 86 3.772 1.955 -8.591 1.00 0.00 C ATOM 1406 CG1 VAL A 86 4.274 0.826 -7.683 1.00 0.00 C ATOM 1407 CG2 VAL A 86 2.265 2.125 -8.372 1.00 0.00 C ATOM 0 H VAL A 86 3.649 3.891 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 86 3.968 3.700 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 86 4.012 1.679 -9.618 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.766 -0.103 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.349 0.702 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.065 1.075 -6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.758 1.183 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.078 2.415 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.885 2.898 -9.040 1.00 0.00 H new ATOM 1417 N ASP A 87 6.811 3.180 -8.947 1.00 0.00 N ATOM 1418 CA ASP A 87 8.227 2.930 -8.726 1.00 0.00 C ATOM 1419 C ASP A 87 8.830 4.072 -7.919 1.00 0.00 C ATOM 1420 O ASP A 87 9.572 3.855 -6.955 1.00 0.00 O ATOM 1421 CB ASP A 87 8.939 2.744 -10.065 1.00 0.00 C ATOM 1422 CG ASP A 87 8.574 1.396 -10.679 1.00 0.00 C ATOM 1423 OD1 ASP A 87 7.534 1.329 -11.387 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.305 0.418 -10.401 1.00 0.00 O ATOM 0 H ASP A 87 6.566 3.359 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 87 8.355 2.011 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.661 3.548 -10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.018 2.805 -9.922 1.00 0.00 H new ATOM 1429 N LYS A 88 8.433 5.307 -8.240 1.00 0.00 N ATOM 1430 CA LYS A 88 8.785 6.448 -7.415 1.00 0.00 C ATOM 1431 C LYS A 88 8.148 6.332 -6.032 1.00 0.00 C ATOM 1432 O LYS A 88 8.778 6.620 -5.024 1.00 0.00 O ATOM 1433 CB LYS A 88 8.384 7.743 -8.128 1.00 0.00 C ATOM 1434 CG LYS A 88 8.782 9.000 -7.337 1.00 0.00 C ATOM 1435 CD LYS A 88 10.236 8.973 -6.826 1.00 0.00 C ATOM 1436 CE LYS A 88 10.811 10.351 -6.495 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.041 11.162 -7.705 1.00 0.00 N ATOM 0 H LYS A 88 7.872 5.533 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 88 9.864 6.468 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.854 7.773 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.306 7.746 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.645 9.876 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.109 9.112 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.284 8.348 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.865 8.501 -7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.127 10.879 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.751 10.231 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.584 12.013 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.575 10.603 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.127 11.442 -8.114 1.00 0.00 H new ATOM 1451 N ASN A 89 6.886 5.932 -5.945 1.00 0.00 N ATOM 1452 CA ASN A 89 6.174 5.971 -4.679 1.00 0.00 C ATOM 1453 C ASN A 89 6.726 4.907 -3.719 1.00 0.00 C ATOM 1454 O ASN A 89 6.774 5.140 -2.513 1.00 0.00 O ATOM 1455 CB ASN A 89 4.672 5.808 -4.925 1.00 0.00 C ATOM 1456 CG ASN A 89 3.989 7.065 -5.457 1.00 0.00 C ATOM 1457 OD1 ASN A 89 2.915 7.423 -5.000 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.570 7.759 -6.416 1.00 0.00 N ATOM 0 H ASN A 89 6.340 5.580 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 89 6.328 6.939 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.517 4.995 -5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.192 5.513 -3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.122 8.600 -6.780 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.467 7.455 -6.794 1.00 0.00 H new ATOM 1465 N ILE A 90 7.175 3.755 -4.238 1.00 0.00 N ATOM 1466 CA ILE A 90 7.926 2.729 -3.511 1.00 0.00 C ATOM 1467 C ILE A 90 9.163 3.389 -2.901 1.00 0.00 C ATOM 1468 O ILE A 90 9.427 3.226 -1.708 1.00 0.00 O ATOM 1469 CB ILE A 90 8.315 1.560 -4.464 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.100 0.684 -4.830 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.396 0.647 -3.844 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.296 -0.234 -6.042 1.00 0.00 C ATOM 0 H ILE A 90 7.017 3.506 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 90 7.314 2.301 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 90 8.707 2.034 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.843 0.069 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.248 1.336 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.638 -0.155 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.292 1.232 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.021 0.219 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.385 -0.807 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.519 0.369 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.123 -0.917 -5.851 1.00 0.00 H new ATOM 1484 N SER A 91 9.930 4.102 -3.724 1.00 0.00 N ATOM 1485 CA SER A 91 11.201 4.655 -3.307 1.00 0.00 C ATOM 1486 C SER A 91 11.063 5.879 -2.401 1.00 0.00 C ATOM 1487 O SER A 91 12.012 6.230 -1.700 1.00 0.00 O ATOM 1488 CB SER A 91 12.070 4.948 -4.529 1.00 0.00 C ATOM 1489 OG SER A 91 11.384 5.499 -5.632 1.00 0.00 O ATOM 0 H SER A 91 9.683 4.307 -4.692 1.00 0.00 H new ATOM 0 HA SER A 91 11.695 3.901 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.864 5.634 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.550 4.022 -4.845 1.00 0.00 H new ATOM 0 HG SER A 91 10.891 4.791 -6.098 1.00 0.00 H new ATOM 1495 N LEU A 92 9.906 6.546 -2.380 1.00 0.00 N ATOM 1496 CA LEU A 92 9.616 7.564 -1.399 1.00 0.00 C ATOM 1497 C LEU A 92 9.318 6.867 -0.075 1.00 0.00 C ATOM 1498 O LEU A 92 9.701 7.362 0.981 1.00 0.00 O ATOM 1499 CB LEU A 92 8.561 8.517 -1.967 1.00 0.00 C ATOM 1500 CG LEU A 92 9.067 9.383 -3.144 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.906 10.130 -3.813 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.129 10.405 -2.732 1.00 0.00 C ATOM 0 H LEU A 92 9.152 6.386 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 92 10.453 8.225 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.702 7.935 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.212 9.173 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 92 9.526 8.684 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.288 10.732 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.182 9.410 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.423 10.779 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.440 10.979 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.714 11.080 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.991 9.885 -2.313 1.00 0.00 H new ATOM 1514 N PHE A 93 8.634 5.720 -0.107 1.00 0.00 N ATOM 1515 CA PHE A 93 8.111 5.100 1.098 1.00 0.00 C ATOM 1516 C PHE A 93 9.228 4.584 2.007 1.00 0.00 C ATOM 1517 O PHE A 93 9.149 4.749 3.222 1.00 0.00 O ATOM 1518 CB PHE A 93 7.162 3.985 0.701 1.00 0.00 C ATOM 1519 CG PHE A 93 6.721 3.177 1.893 1.00 0.00 C ATOM 1520 CD1 PHE A 93 5.756 3.686 2.783 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.367 1.961 2.164 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.451 2.985 3.961 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.053 1.262 3.332 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.102 1.769 4.232 1.00 0.00 C ATOM 0 H PHE A 93 8.432 5.205 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 93 7.571 5.850 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.289 4.410 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.651 3.331 -0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.251 4.614 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.101 1.569 1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.721 3.377 4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.545 0.325 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.870 1.223 5.135 1.00 0.00 H new ATOM 1534 N ILE A 94 10.244 3.953 1.417 1.00 0.00 N ATOM 1535 CA ILE A 94 11.461 3.487 2.081 1.00 0.00 C ATOM 1536 C ILE A 94 12.060 4.659 2.872 1.00 0.00 C ATOM 1537 O ILE A 94 12.278 4.515 4.074 1.00 0.00 O ATOM 1538 CB ILE A 94 12.385 2.870 0.999 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.769 1.538 0.493 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.828 2.641 1.488 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.190 1.174 -0.932 1.00 0.00 C ATOM 0 H ILE A 94 10.240 3.744 0.419 1.00 0.00 H new ATOM 0 HA ILE A 94 11.284 2.700 2.814 1.00 0.00 H new ATOM 0 HB ILE A 94 12.451 3.590 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.061 0.733 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.682 1.610 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.421 2.208 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.266 3.593 1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.820 1.960 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.723 0.232 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.874 1.961 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.274 1.069 -0.976 1.00 0.00 H new ATOM 1553 N GLU A 95 12.243 5.818 2.234 1.00 0.00 N ATOM 1554 CA GLU A 95 12.751 7.037 2.860 1.00 0.00 C ATOM 1555 C GLU A 95 11.767 7.695 3.828 1.00 0.00 C ATOM 1556 O GLU A 95 12.191 8.521 4.644 1.00 0.00 O ATOM 1557 CB GLU A 95 13.107 8.044 1.760 1.00 0.00 C ATOM 1558 CG GLU A 95 14.530 7.825 1.240 1.00 0.00 C ATOM 1559 CD GLU A 95 15.610 8.465 2.128 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.670 8.200 3.352 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.438 9.243 1.596 1.00 0.00 O ATOM 0 H GLU A 95 12.036 5.935 1.242 1.00 0.00 H new ATOM 0 HA GLU A 95 13.622 6.747 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.399 7.951 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.012 9.058 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.720 6.754 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.608 8.235 0.233 1.00 0.00 H new ATOM 1568 N GLY A 96 10.475 7.372 3.751 1.00 0.00 N ATOM 1569 CA GLY A 96 9.474 7.961 4.615 1.00 0.00 C ATOM 1570 C GLY A 96 8.993 9.298 4.093 1.00 0.00 C ATOM 1571 O GLY A 96 8.520 10.116 4.876 1.00 0.00 O ATOM 0 H GLY A 96 10.102 6.695 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.627 7.281 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.888 8.089 5.615 1.00 0.00 H new ATOM 1575 N GLU A 97 9.120 9.572 2.789 1.00 0.00 N ATOM 1576 CA GLU A 97 8.864 10.912 2.276 1.00 0.00 C ATOM 1577 C GLU A 97 7.368 11.218 2.383 1.00 0.00 C ATOM 1578 O GLU A 97 6.947 12.361 2.551 1.00 0.00 O ATOM 1579 CB GLU A 97 9.379 10.949 0.827 1.00 0.00 C ATOM 1580 CG GLU A 97 10.603 11.848 0.672 1.00 0.00 C ATOM 1581 CD GLU A 97 10.174 13.303 0.508 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.935 13.745 -0.645 1.00 0.00 O ATOM 1583 OE2 GLU A 97 10.040 13.992 1.541 1.00 0.00 O ATOM 0 H GLU A 97 9.395 8.890 2.082 1.00 0.00 H new ATOM 0 HA GLU A 97 9.380 11.681 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.630 9.938 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.585 11.303 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.249 11.748 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.186 11.534 -0.194 1.00 0.00 H new ATOM 1590 N LEU A 98 6.554 10.166 2.317 1.00 0.00 N ATOM 1591 CA LEU A 98 5.124 10.238 2.058 1.00 0.00 C ATOM 1592 C LEU A 98 4.409 10.561 3.348 1.00 0.00 C ATOM 1593 O LEU A 98 4.759 10.055 4.413 1.00 0.00 O ATOM 1594 CB LEU A 98 4.685 8.915 1.384 1.00 0.00 C ATOM 1595 CG LEU A 98 5.523 8.659 0.102 1.00 0.00 C ATOM 1596 CD1 LEU A 98 5.832 9.930 -0.700 1.00 0.00 C ATOM 1597 CD2 LEU A 98 6.392 7.517 0.419 1.00 0.00 C ATOM 0 H LEU A 98 6.886 9.210 2.447 1.00 0.00 H new ATOM 0 HA LEU A 98 4.862 11.038 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.810 8.085 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.626 8.962 1.131 1.00 0.00 H new ATOM 0 HG LEU A 98 5.075 8.277 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.420 9.671 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.899 10.399 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.397 10.624 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.013 7.281 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.030 7.769 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.779 6.652 0.671 1.00 0.00 H new ATOM 1609 N SER A 99 3.461 11.481 3.250 1.00 0.00 N ATOM 1610 CA SER A 99 2.627 11.917 4.348 1.00 0.00 C ATOM 1611 C SER A 99 1.652 10.795 4.703 1.00 0.00 C ATOM 1612 O SER A 99 1.367 9.933 3.866 1.00 0.00 O ATOM 1613 CB SER A 99 1.957 13.223 3.914 1.00 0.00 C ATOM 1614 OG SER A 99 1.218 13.113 2.708 1.00 0.00 O ATOM 0 H SER A 99 3.248 11.957 2.373 1.00 0.00 H new ATOM 0 HA SER A 99 3.188 12.122 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.291 13.560 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.722 13.990 3.792 1.00 0.00 H new ATOM 0 HG SER A 99 0.816 13.980 2.490 1.00 0.00 H new ATOM 1620 N LYS A 100 1.127 10.787 5.926 1.00 0.00 N ATOM 1621 CA LYS A 100 0.132 9.814 6.357 1.00 0.00 C ATOM 1622 C LYS A 100 -1.249 10.336 6.011 1.00 0.00 C ATOM 1623 O LYS A 100 -1.573 11.489 6.291 1.00 0.00 O ATOM 1624 CB LYS A 100 0.260 9.517 7.853 1.00 0.00 C ATOM 1625 CG LYS A 100 1.427 8.541 8.072 1.00 0.00 C ATOM 1626 CD LYS A 100 1.504 8.005 9.501 1.00 0.00 C ATOM 1627 CE LYS A 100 0.278 7.159 9.850 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.430 6.536 11.174 1.00 0.00 N ATOM 0 H LYS A 100 1.383 11.460 6.648 1.00 0.00 H new ATOM 0 HA LYS A 100 0.298 8.872 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.432 10.440 8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.667 9.086 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.326 7.703 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.363 9.044 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.406 7.405 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.583 8.838 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.615 7.784 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.137 6.386 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.398 5.940 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.289 5.950 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.507 7.277 11.900 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.079 9.485 5.414 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.481 9.792 5.187 1.00 0.00 C ATOM 1644 C ILE A 101 -4.158 9.792 6.554 1.00 0.00 C ATOM 1645 O ILE A 101 -4.157 8.784 7.269 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.111 8.825 4.160 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.500 9.150 2.777 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.647 8.924 4.104 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.036 8.327 1.603 1.00 0.00 C ATOM 0 H ILE A 101 -1.795 8.565 5.076 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.614 10.774 4.732 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.890 7.801 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.670 10.205 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.421 9.006 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.030 8.221 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.063 8.684 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.936 9.937 3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.539 8.638 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.841 7.269 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.110 8.487 1.507 1.00 0.00 H new ATOM 1661 N SER A 102 -4.737 10.933 6.901 1.00 0.00 N ATOM 1662 CA SER A 102 -5.529 11.155 8.103 1.00 0.00 C ATOM 1663 C SER A 102 -6.766 12.011 7.799 1.00 0.00 C ATOM 1664 O SER A 102 -7.608 12.199 8.680 1.00 0.00 O ATOM 1665 CB SER A 102 -4.612 11.783 9.163 1.00 0.00 C ATOM 1666 OG SER A 102 -3.836 10.749 9.753 1.00 0.00 O ATOM 0 H SER A 102 -4.664 11.770 6.323 1.00 0.00 H new ATOM 0 HA SER A 102 -5.917 10.212 8.489 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.963 12.532 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.204 12.293 9.923 1.00 0.00 H new ATOM 0 HG SER A 102 -3.905 9.937 9.209 1.00 0.00 H new ATOM 1672 N ASN A 103 -6.895 12.502 6.564 1.00 0.00 N ATOM 1673 CA ASN A 103 -7.914 13.441 6.111 1.00 0.00 C ATOM 1674 C ASN A 103 -8.129 13.252 4.601 1.00 0.00 C ATOM 1675 O ASN A 103 -7.665 14.071 3.800 1.00 0.00 O ATOM 1676 CB ASN A 103 -7.481 14.865 6.482 1.00 0.00 C ATOM 1677 CG ASN A 103 -6.015 15.159 6.171 1.00 0.00 C ATOM 1678 OD1 ASN A 103 -5.148 14.977 7.021 1.00 0.00 O ATOM 1679 ND2 ASN A 103 -5.686 15.605 4.968 1.00 0.00 N ATOM 0 H ASN A 103 -6.254 12.238 5.815 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.871 13.258 6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.107 15.578 5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.657 15.024 7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.710 15.798 4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.409 15.755 4.264 1.00 0.00 H new ATOM 1686 N PRO A 104 -8.699 12.112 4.189 1.00 0.00 N ATOM 1687 CA PRO A 104 -9.165 11.868 2.829 1.00 0.00 C ATOM 1688 C PRO A 104 -10.501 12.595 2.600 1.00 0.00 C ATOM 1689 O PRO A 104 -10.682 13.690 3.167 1.00 0.00 O ATOM 1690 CB PRO A 104 -9.284 10.343 2.756 1.00 0.00 C ATOM 1691 CG PRO A 104 -9.729 9.976 4.164 1.00 0.00 C ATOM 1692 CD PRO A 104 -9.001 10.979 5.043 1.00 0.00 C ATOM 0 HA PRO A 104 -8.502 12.245 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.010 10.029 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.335 9.874 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.810 10.056 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.457 8.951 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.621 11.281 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.089 10.547 5.456 1.00 0.00 H new TER 1700 PRO A 104