USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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 81 LYS NZ :NH3+ 171:sc= 0.371 (180deg=-0.176) USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0.161 USER MOD Set 2.1: A 58 ASN : amide:sc= 0 X(o=1.1,f=0.99) USER MOD Set 2.2: A 69 THR OG1 : rot -48:sc= 1.1 USER MOD Set 3.1: A 6 GLN : amide:sc= 0.711 K(o=0.89,f=-6.4!) USER MOD Set 3.2: A 54 LYS NZ :NH3+ -133:sc= 0.178 (180deg=-0.221) USER MOD Set 4.1: A 42 LYS NZ :NH3+ -178:sc= 0.566 (180deg=0) USER MOD Set 4.2: A 46 THR OG1 : rot 75:sc= 1.6 USER MOD Set 5.1: A 36 THR OG1 : rot -79:sc= 1.02 USER MOD Set 5.2: A 37 SER OG : rot 35:sc= 1.06 USER MOD Set 6.1: A 27 ASN : amide:sc= -0.466! X(o=-0.47!,f=-0.08) USER MOD Set 6.2: A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0176) USER MOD Set 7.1: A 26 THR OG1 : rot -74:sc= 2.07 USER MOD Set 7.2: A 68 TYR OH : rot 38:sc= 2.21 USER MOD Single : A 1 MET CE :methyl 172:sc=-0.00371 (180deg=-0.111) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.57 (180deg=-3.09!) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= 0.653 (180deg=0.539) USER MOD Single : A 3 LYS NZ :NH3+ 147:sc= -0.111 (180deg=-0.76) USER MOD Single : A 8 SER OG : rot -67:sc= 1.05 USER MOD Single : A 15 MET CE :methyl -165:sc= -2.07 (180deg=-2.95) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc=-0.00221 (180deg=-0.254) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.9) USER MOD Single : A 22 SER OG : rot 180:sc= 0.19 USER MOD Single : A 23 SER OG : rot 3:sc= 0.344 USER MOD Single : A 25 ASN : amide:sc= 0.337 K(o=0.34,f=-9.4!) USER MOD Single : A 34 SER OG : rot -60:sc= 0.995 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.106) USER MOD Single : A 38 THR OG1 : rot 56:sc= 0.346 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00268 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 45 GLN : amide:sc=0.000752 X(o=0.00075,f=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0.855 K(o=0.86,f=-4.2!) USER MOD Single : A 60 HIS : no HD1:sc=-0.00507 X(o=-0.0051,f=-0.33) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.273 (180deg=-0.401) USER MOD Single : A 71 ASN : amide:sc= 1.15 K(o=1.1,f=-0.96) USER MOD Single : A 75 SER OG : rot 88:sc= 1.17 USER MOD Single : A 77 TYR OH : rot -20:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.970 20.059 1.474 1.00 0.00 N ATOM 2 CA MET A 1 9.737 20.109 2.925 1.00 0.00 C ATOM 3 C MET A 1 8.780 18.995 3.354 1.00 0.00 C ATOM 4 O MET A 1 9.073 18.279 4.308 1.00 0.00 O ATOM 5 CB MET A 1 9.210 21.484 3.358 1.00 0.00 C ATOM 6 CG MET A 1 9.108 21.610 4.884 1.00 0.00 C ATOM 7 SD MET A 1 8.714 23.268 5.498 1.00 0.00 S ATOM 8 CE MET A 1 7.098 23.534 4.734 1.00 0.00 C ATOM 0 H1 MET A 1 10.144 21.020 1.117 1.00 0.00 H new ATOM 0 H2 MET A 1 10.797 19.461 1.276 1.00 0.00 H new ATOM 0 H3 MET A 1 9.134 19.660 1.002 1.00 0.00 H new ATOM 0 HA MET A 1 10.693 19.951 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.870 22.262 2.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.228 21.651 2.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.345 20.918 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.054 21.293 5.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.656 24.450 5.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.216 23.623 3.654 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.446 22.690 4.959 1.00 0.00 H new ATOM 20 N LYS A 2 7.640 18.852 2.666 1.00 0.00 N ATOM 21 CA LYS A 2 6.683 17.807 3.009 1.00 0.00 C ATOM 22 C LYS A 2 7.335 16.421 2.914 1.00 0.00 C ATOM 23 O LYS A 2 8.157 16.174 2.031 1.00 0.00 O ATOM 24 CB LYS A 2 5.417 17.909 2.144 1.00 0.00 C ATOM 25 CG LYS A 2 5.672 17.683 0.647 1.00 0.00 C ATOM 26 CD LYS A 2 4.347 17.678 -0.121 1.00 0.00 C ATOM 27 CE LYS A 2 4.616 17.507 -1.618 1.00 0.00 C ATOM 28 NZ LYS A 2 3.365 17.388 -2.385 1.00 0.00 N ATOM 0 H LYS A 2 7.365 19.441 1.880 1.00 0.00 H new ATOM 0 HA LYS A 2 6.373 17.951 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.689 17.177 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.971 18.894 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.322 18.467 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.191 16.736 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.711 16.869 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.809 18.609 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.188 18.359 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.228 16.619 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.566 17.512 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.949 16.448 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.695 18.120 -2.073 1.00 0.00 H new ATOM 42 N LYS A 3 6.954 15.508 3.811 1.00 0.00 N ATOM 43 CA LYS A 3 7.483 14.150 3.854 1.00 0.00 C ATOM 44 C LYS A 3 6.843 13.295 2.755 1.00 0.00 C ATOM 45 O LYS A 3 6.149 12.321 3.036 1.00 0.00 O ATOM 46 CB LYS A 3 7.255 13.557 5.254 1.00 0.00 C ATOM 47 CG LYS A 3 7.965 14.333 6.374 1.00 0.00 C ATOM 48 CD LYS A 3 9.498 14.425 6.262 1.00 0.00 C ATOM 49 CE LYS A 3 10.217 13.068 6.319 1.00 0.00 C ATOM 50 NZ LYS A 3 10.302 12.408 5.002 1.00 0.00 N ATOM 0 H LYS A 3 6.261 15.697 4.535 1.00 0.00 H new ATOM 0 HA LYS A 3 8.556 14.164 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.185 13.535 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.602 12.524 5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.561 15.345 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.717 13.865 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.753 14.920 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.873 15.056 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.223 13.212 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.692 12.413 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.186 11.863 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.492 11.767 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.288 13.128 4.251 1.00 0.00 H new ATOM 64 N ILE A 4 7.069 13.668 1.494 1.00 0.00 N ATOM 65 CA ILE A 4 6.553 12.933 0.347 1.00 0.00 C ATOM 66 C ILE A 4 7.145 11.512 0.368 1.00 0.00 C ATOM 67 O ILE A 4 8.368 11.375 0.428 1.00 0.00 O ATOM 68 CB ILE A 4 6.865 13.713 -0.948 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.192 13.088 -2.179 1.00 0.00 C ATOM 70 CG2 ILE A 4 8.370 13.861 -1.226 1.00 0.00 C ATOM 71 CD1 ILE A 4 4.693 13.396 -2.243 1.00 0.00 C ATOM 0 H ILE A 4 7.617 14.491 1.243 1.00 0.00 H new ATOM 0 HA ILE A 4 5.468 12.833 0.391 1.00 0.00 H new ATOM 0 HB ILE A 4 6.453 14.707 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.676 13.460 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.338 12.008 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.516 14.419 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.841 14.396 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.821 12.873 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.264 12.932 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.202 13.001 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.545 14.475 -2.290 1.00 0.00 H new ATOM 83 N PRO A 5 6.331 10.443 0.361 1.00 0.00 N ATOM 84 CA PRO A 5 6.876 9.099 0.425 1.00 0.00 C ATOM 85 C PRO A 5 7.521 8.727 -0.920 1.00 0.00 C ATOM 86 O PRO A 5 6.837 8.534 -1.923 1.00 0.00 O ATOM 87 CB PRO A 5 5.686 8.215 0.820 1.00 0.00 C ATOM 88 CG PRO A 5 4.446 8.982 0.360 1.00 0.00 C ATOM 89 CD PRO A 5 4.879 10.444 0.437 1.00 0.00 C ATOM 0 HA PRO A 5 7.680 8.981 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.745 7.238 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.665 8.041 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.155 8.703 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.590 8.783 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.447 11.021 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.538 10.902 1.365 1.00 0.00 H new ATOM 97 N GLN A 6 8.845 8.541 -0.923 1.00 0.00 N ATOM 98 CA GLN A 6 9.620 8.201 -2.114 1.00 0.00 C ATOM 99 C GLN A 6 9.522 6.693 -2.357 1.00 0.00 C ATOM 100 O GLN A 6 10.468 5.938 -2.149 1.00 0.00 O ATOM 101 CB GLN A 6 11.068 8.733 -2.027 1.00 0.00 C ATOM 102 CG GLN A 6 11.662 8.884 -0.617 1.00 0.00 C ATOM 103 CD GLN A 6 11.574 7.612 0.217 1.00 0.00 C ATOM 104 OE1 GLN A 6 10.644 7.462 1.005 1.00 0.00 O ATOM 105 NE2 GLN A 6 12.527 6.699 0.064 1.00 0.00 N ATOM 0 H GLN A 6 9.415 8.625 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 6 9.200 8.701 -2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.712 8.064 -2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.104 9.706 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 6 12.707 9.183 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 6 11.142 9.688 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.284 6.859 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.501 5.838 0.611 1.00 0.00 H new ATOM 114 N ILE A 7 8.345 6.268 -2.806 1.00 0.00 N ATOM 115 CA ILE A 7 8.001 4.870 -3.015 1.00 0.00 C ATOM 116 C ILE A 7 8.543 4.318 -4.343 1.00 0.00 C ATOM 117 O ILE A 7 8.585 5.022 -5.353 1.00 0.00 O ATOM 118 CB ILE A 7 6.472 4.763 -2.887 1.00 0.00 C ATOM 119 CG1 ILE A 7 6.123 4.776 -1.395 1.00 0.00 C ATOM 120 CG2 ILE A 7 5.916 3.507 -3.554 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.611 4.788 -1.198 1.00 0.00 C ATOM 0 H ILE A 7 7.585 6.906 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 7 8.479 4.242 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 7 6.015 5.608 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.552 3.900 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.564 5.653 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.833 3.481 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.164 3.519 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.354 2.624 -3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.383 4.797 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.190 5.677 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.178 3.898 -1.654 1.00 0.00 H new ATOM 133 N SER A 8 8.937 3.037 -4.337 1.00 0.00 N ATOM 134 CA SER A 8 9.455 2.329 -5.506 1.00 0.00 C ATOM 135 C SER A 8 8.315 1.722 -6.337 1.00 0.00 C ATOM 136 O SER A 8 7.185 1.617 -5.868 1.00 0.00 O ATOM 137 CB SER A 8 10.438 1.244 -5.049 1.00 0.00 C ATOM 138 OG SER A 8 9.781 0.273 -4.257 1.00 0.00 O ATOM 0 H SER A 8 8.902 2.456 -3.500 1.00 0.00 H new ATOM 0 HA SER A 8 9.979 3.039 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.889 0.766 -5.918 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.248 1.698 -4.478 1.00 0.00 H new ATOM 0 HG SER A 8 9.491 0.680 -3.414 1.00 0.00 H new ATOM 144 N ASP A 9 8.612 1.284 -7.566 1.00 0.00 N ATOM 145 CA ASP A 9 7.620 0.706 -8.469 1.00 0.00 C ATOM 146 C ASP A 9 6.851 -0.461 -7.836 1.00 0.00 C ATOM 147 O ASP A 9 5.624 -0.450 -7.800 1.00 0.00 O ATOM 148 CB ASP A 9 8.292 0.267 -9.773 1.00 0.00 C ATOM 149 CG ASP A 9 7.282 -0.381 -10.717 1.00 0.00 C ATOM 150 OD1 ASP A 9 6.633 0.383 -11.462 1.00 0.00 O ATOM 151 OD2 ASP A 9 7.179 -1.626 -10.669 1.00 0.00 O ATOM 0 H ASP A 9 9.552 1.322 -7.960 1.00 0.00 H new ATOM 0 HA ASP A 9 6.885 1.482 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.749 1.129 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.094 -0.437 -9.554 1.00 0.00 H new ATOM 156 N ALA A 10 7.566 -1.475 -7.340 1.00 0.00 N ATOM 157 CA ALA A 10 6.938 -2.659 -6.759 1.00 0.00 C ATOM 158 C ALA A 10 5.913 -2.273 -5.691 1.00 0.00 C ATOM 159 O ALA A 10 4.784 -2.756 -5.685 1.00 0.00 O ATOM 160 CB ALA A 10 8.010 -3.594 -6.193 1.00 0.00 C ATOM 0 H ALA A 10 8.586 -1.497 -7.331 1.00 0.00 H new ATOM 0 HA ALA A 10 6.399 -3.189 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.534 -4.474 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.684 -3.901 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.577 -3.073 -5.421 1.00 0.00 H new ATOM 166 N GLU A 11 6.314 -1.373 -4.795 1.00 0.00 N ATOM 167 CA GLU A 11 5.450 -0.841 -3.756 1.00 0.00 C ATOM 168 C GLU A 11 4.265 -0.097 -4.390 1.00 0.00 C ATOM 169 O GLU A 11 3.113 -0.323 -4.018 1.00 0.00 O ATOM 170 CB GLU A 11 6.289 0.101 -2.896 1.00 0.00 C ATOM 171 CG GLU A 11 7.293 -0.640 -2.004 1.00 0.00 C ATOM 172 CD GLU A 11 8.255 0.320 -1.308 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.668 1.300 -1.973 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.597 0.035 -0.140 1.00 0.00 O ATOM 0 H GLU A 11 7.260 -0.992 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 11 5.043 -1.643 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.828 0.793 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.627 0.700 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.754 -1.220 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.861 -1.348 -2.607 1.00 0.00 H new ATOM 181 N LEU A 12 4.548 0.791 -5.350 1.00 0.00 N ATOM 182 CA LEU A 12 3.541 1.577 -6.053 1.00 0.00 C ATOM 183 C LEU A 12 2.424 0.670 -6.591 1.00 0.00 C ATOM 184 O LEU A 12 1.252 1.033 -6.517 1.00 0.00 O ATOM 185 CB LEU A 12 4.192 2.404 -7.175 1.00 0.00 C ATOM 186 CG LEU A 12 3.214 3.293 -7.959 1.00 0.00 C ATOM 187 CD1 LEU A 12 2.535 4.319 -7.050 1.00 0.00 C ATOM 188 CD2 LEU A 12 3.978 4.018 -9.071 1.00 0.00 C ATOM 0 H LEU A 12 5.500 0.983 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 12 3.086 2.274 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.969 3.034 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.684 1.725 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 12 2.437 2.658 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.851 4.930 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.979 3.801 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.291 4.958 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.290 4.651 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.762 4.634 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.426 3.285 -9.742 1.00 0.00 H new ATOM 200 N GLU A 13 2.764 -0.516 -7.115 1.00 0.00 N ATOM 201 CA GLU A 13 1.752 -1.455 -7.589 1.00 0.00 C ATOM 202 C GLU A 13 0.749 -1.786 -6.480 1.00 0.00 C ATOM 203 O GLU A 13 -0.459 -1.821 -6.720 1.00 0.00 O ATOM 204 CB GLU A 13 2.397 -2.753 -8.091 1.00 0.00 C ATOM 205 CG GLU A 13 3.345 -2.565 -9.285 1.00 0.00 C ATOM 206 CD GLU A 13 2.682 -1.832 -10.447 1.00 0.00 C ATOM 207 OE1 GLU A 13 1.905 -2.498 -11.165 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.951 -0.619 -10.587 1.00 0.00 O ATOM 0 H GLU A 13 3.725 -0.841 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 13 1.227 -0.975 -8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.950 -3.211 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.609 -3.451 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.224 -2.008 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.693 -3.540 -9.626 1.00 0.00 H new ATOM 215 N VAL A 14 1.238 -2.039 -5.260 1.00 0.00 N ATOM 216 CA VAL A 14 0.336 -2.361 -4.164 1.00 0.00 C ATOM 217 C VAL A 14 -0.521 -1.138 -3.872 1.00 0.00 C ATOM 218 O VAL A 14 -1.734 -1.278 -3.734 1.00 0.00 O ATOM 219 CB VAL A 14 1.040 -2.995 -2.941 1.00 0.00 C ATOM 220 CG1 VAL A 14 2.348 -3.690 -3.338 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.261 -2.077 -1.730 1.00 0.00 C ATOM 0 H VAL A 14 2.228 -2.026 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.334 -3.167 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 14 0.318 -3.734 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.813 -4.123 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.136 -4.479 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.026 -2.962 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.762 -2.634 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.879 -1.229 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.299 -1.716 -1.367 1.00 0.00 H new ATOM 231 N MET A 15 0.081 0.061 -3.851 1.00 0.00 N ATOM 232 CA MET A 15 -0.693 1.281 -3.665 1.00 0.00 C ATOM 233 C MET A 15 -1.843 1.323 -4.664 1.00 0.00 C ATOM 234 O MET A 15 -2.978 1.520 -4.258 1.00 0.00 O ATOM 235 CB MET A 15 0.118 2.555 -3.868 1.00 0.00 C ATOM 236 CG MET A 15 1.391 2.668 -3.052 1.00 0.00 C ATOM 237 SD MET A 15 2.174 4.266 -3.342 1.00 0.00 S ATOM 238 CE MET A 15 1.388 5.211 -2.028 1.00 0.00 C ATOM 0 H MET A 15 1.085 0.203 -3.959 1.00 0.00 H new ATOM 0 HA MET A 15 -1.041 1.252 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.378 2.632 -4.924 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.518 3.409 -3.633 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.164 2.553 -1.992 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.077 1.864 -3.320 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.538 6.276 -2.206 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.320 4.993 -2.011 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.829 4.938 -1.069 1.00 0.00 H new ATOM 248 N LYS A 16 -1.550 1.145 -5.957 1.00 0.00 N ATOM 249 CA LYS A 16 -2.547 1.147 -7.020 1.00 0.00 C ATOM 250 C LYS A 16 -3.691 0.193 -6.682 1.00 0.00 C ATOM 251 O LYS A 16 -4.848 0.577 -6.815 1.00 0.00 O ATOM 252 CB LYS A 16 -1.878 0.802 -8.358 1.00 0.00 C ATOM 253 CG LYS A 16 -2.807 1.009 -9.561 1.00 0.00 C ATOM 254 CD LYS A 16 -3.201 2.463 -9.871 1.00 0.00 C ATOM 255 CE LYS A 16 -2.004 3.387 -10.138 1.00 0.00 C ATOM 256 NZ LYS A 16 -1.513 4.027 -8.906 1.00 0.00 N ATOM 0 H LYS A 16 -0.599 0.994 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.981 2.143 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.988 1.418 -8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.547 -0.236 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.324 0.589 -10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.718 0.435 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.857 2.474 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.775 2.860 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.198 2.812 -10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.293 4.156 -10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.537 4.357 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.121 4.837 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.534 3.340 -8.126 1.00 0.00 H new ATOM 270 N VAL A 17 -3.402 -1.033 -6.236 1.00 0.00 N ATOM 271 CA VAL A 17 -4.459 -1.947 -5.839 1.00 0.00 C ATOM 272 C VAL A 17 -5.273 -1.325 -4.693 1.00 0.00 C ATOM 273 O VAL A 17 -6.495 -1.205 -4.781 1.00 0.00 O ATOM 274 CB VAL A 17 -3.834 -3.306 -5.480 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.795 -4.153 -4.652 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.447 -4.066 -6.754 1.00 0.00 C ATOM 0 H VAL A 17 -2.457 -1.405 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.159 -2.121 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.941 -3.115 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.326 -5.107 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.040 -3.628 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.707 -4.330 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.006 -5.026 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.336 -4.233 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.724 -3.480 -7.321 1.00 0.00 H new ATOM 286 N ILE A 18 -4.591 -0.900 -3.627 1.00 0.00 N ATOM 287 CA ILE A 18 -5.229 -0.317 -2.450 1.00 0.00 C ATOM 288 C ILE A 18 -6.119 0.879 -2.847 1.00 0.00 C ATOM 289 O ILE A 18 -7.198 1.054 -2.290 1.00 0.00 O ATOM 290 CB ILE A 18 -4.162 0.061 -1.395 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.106 -1.054 -1.153 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.832 0.538 -0.096 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.922 -1.558 0.279 1.00 0.00 C ATOM 0 H ILE A 18 -3.575 -0.952 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.886 -1.058 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.591 0.895 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.370 -1.907 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.143 -0.686 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.066 0.799 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.448 1.413 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.458 -0.259 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.155 -2.332 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.617 -0.731 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.863 -1.971 0.643 1.00 0.00 H new ATOM 305 N TRP A 19 -5.653 1.693 -3.799 1.00 0.00 N ATOM 306 CA TRP A 19 -6.282 2.880 -4.344 1.00 0.00 C ATOM 307 C TRP A 19 -7.441 2.530 -5.286 1.00 0.00 C ATOM 308 O TRP A 19 -8.413 3.278 -5.358 1.00 0.00 O ATOM 309 CB TRP A 19 -5.183 3.669 -5.086 1.00 0.00 C ATOM 310 CG TRP A 19 -4.390 4.694 -4.316 1.00 0.00 C ATOM 311 CD1 TRP A 19 -4.838 5.483 -3.309 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.003 5.100 -4.534 1.00 0.00 C ATOM 313 NE1 TRP A 19 -3.821 6.307 -2.860 1.00 0.00 N ATOM 314 CE2 TRP A 19 -2.673 6.118 -3.593 1.00 0.00 C ATOM 315 CE3 TRP A 19 -1.994 4.735 -5.450 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.408 6.717 -3.546 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -0.739 5.370 -5.447 1.00 0.00 C ATOM 318 CH2 TRP A 19 -0.439 6.353 -4.490 1.00 0.00 C ATOM 0 H TRP A 19 -4.750 1.516 -4.239 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.717 3.477 -3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.479 2.947 -5.500 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.651 4.177 -5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -5.843 5.470 -2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.911 6.967 -2.088 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.189 3.952 -6.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.181 7.453 -2.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.000 5.099 -6.187 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.532 6.825 -4.482 1.00 0.00 H new ATOM 329 N LYS A 20 -7.321 1.441 -6.051 1.00 0.00 N ATOM 330 CA LYS A 20 -8.359 0.991 -6.967 1.00 0.00 C ATOM 331 C LYS A 20 -9.585 0.581 -6.153 1.00 0.00 C ATOM 332 O LYS A 20 -10.701 1.012 -6.439 1.00 0.00 O ATOM 333 CB LYS A 20 -7.820 -0.159 -7.835 1.00 0.00 C ATOM 334 CG LYS A 20 -8.871 -0.820 -8.739 1.00 0.00 C ATOM 335 CD LYS A 20 -9.544 0.182 -9.686 1.00 0.00 C ATOM 336 CE LYS A 20 -10.477 -0.551 -10.655 1.00 0.00 C ATOM 337 NZ LYS A 20 -11.158 0.393 -11.558 1.00 0.00 N ATOM 0 H LYS A 20 -6.492 0.846 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.655 1.792 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.011 0.221 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.390 -0.919 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.398 -1.608 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.631 -1.296 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.109 0.915 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.786 0.731 -10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.904 -1.270 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.218 -1.118 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.783 -0.132 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.723 1.063 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.450 0.916 -12.112 1.00 0.00 H new ATOM 351 N HIS A 21 -9.376 -0.284 -5.160 1.00 0.00 N ATOM 352 CA HIS A 21 -10.436 -0.691 -4.248 1.00 0.00 C ATOM 353 C HIS A 21 -10.732 0.494 -3.307 1.00 0.00 C ATOM 354 O HIS A 21 -9.999 1.479 -3.312 1.00 0.00 O ATOM 355 CB HIS A 21 -9.994 -1.955 -3.496 1.00 0.00 C ATOM 356 CG HIS A 21 -9.699 -3.159 -4.365 1.00 0.00 C ATOM 357 ND1 HIS A 21 -8.744 -3.120 -5.381 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.204 -4.433 -4.296 1.00 0.00 C ATOM 359 CE1 HIS A 21 -8.710 -4.356 -5.882 1.00 0.00 C ATOM 360 NE2 HIS A 21 -9.564 -5.185 -5.264 1.00 0.00 N ATOM 0 H HIS A 21 -8.473 -0.717 -4.969 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.355 -0.942 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.101 -1.719 -2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.774 -2.225 -2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.962 -4.784 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -8.066 -4.656 -6.695 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.712 -6.173 -5.467 1.00 0.00 H new ATOM 368 N SER A 22 -11.805 0.450 -2.506 1.00 0.00 N ATOM 369 CA SER A 22 -12.111 1.544 -1.582 1.00 0.00 C ATOM 370 C SER A 22 -10.969 1.622 -0.569 1.00 0.00 C ATOM 371 O SER A 22 -10.336 2.656 -0.367 1.00 0.00 O ATOM 372 CB SER A 22 -13.446 1.220 -0.905 1.00 0.00 C ATOM 373 OG SER A 22 -13.492 -0.170 -0.614 1.00 0.00 O ATOM 0 H SER A 22 -12.468 -0.324 -2.481 1.00 0.00 H new ATOM 0 HA SER A 22 -12.201 2.507 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.554 1.800 0.011 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.275 1.496 -1.556 1.00 0.00 H new ATOM 0 HG SER A 22 -14.343 -0.385 -0.179 1.00 0.00 H new ATOM 379 N SER A 23 -10.770 0.525 0.151 1.00 0.00 N ATOM 380 CA SER A 23 -9.494 0.224 0.767 1.00 0.00 C ATOM 381 C SER A 23 -9.252 -1.241 0.386 1.00 0.00 C ATOM 382 O SER A 23 -9.934 -1.734 -0.512 1.00 0.00 O ATOM 383 CB SER A 23 -9.621 0.510 2.265 1.00 0.00 C ATOM 384 OG SER A 23 -9.798 1.906 2.433 1.00 0.00 O ATOM 0 H SER A 23 -11.490 -0.177 0.321 1.00 0.00 H new ATOM 0 HA SER A 23 -8.640 0.819 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.466 -0.034 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.729 0.173 2.794 1.00 0.00 H new ATOM 0 HG SER A 23 -9.846 2.338 1.555 1.00 0.00 H new ATOM 390 N ILE A 24 -8.420 -2.000 1.100 1.00 0.00 N ATOM 391 CA ILE A 24 -8.315 -3.440 0.880 1.00 0.00 C ATOM 392 C ILE A 24 -7.862 -4.114 2.178 1.00 0.00 C ATOM 393 O ILE A 24 -7.152 -3.457 2.944 1.00 0.00 O ATOM 394 CB ILE A 24 -7.462 -3.719 -0.370 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.590 -5.174 -0.832 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.006 -3.335 -0.129 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.087 -5.371 -2.263 1.00 0.00 C ATOM 0 H ILE A 24 -7.810 -1.641 1.834 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.280 -3.892 0.649 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.845 -3.095 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.026 -5.819 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.633 -5.483 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.422 -3.541 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.944 -2.273 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.609 -3.916 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.198 -6.418 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.669 -4.748 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.036 -5.088 -2.321 1.00 0.00 H new ATOM 409 N ASN A 25 -8.239 -5.378 2.429 1.00 0.00 N ATOM 410 CA ASN A 25 -7.768 -6.144 3.589 1.00 0.00 C ATOM 411 C ASN A 25 -6.596 -7.046 3.202 1.00 0.00 C ATOM 412 O ASN A 25 -6.387 -7.302 2.019 1.00 0.00 O ATOM 413 CB ASN A 25 -8.913 -6.891 4.299 1.00 0.00 C ATOM 414 CG ASN A 25 -9.280 -8.283 3.777 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.536 -8.941 3.055 1.00 0.00 O ATOM 416 ND2 ASN A 25 -10.443 -8.775 4.188 1.00 0.00 N ATOM 0 H ASN A 25 -8.881 -5.897 1.830 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.389 -5.440 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.650 -6.985 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.805 -6.267 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.729 -9.712 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.050 -8.216 4.788 1.00 0.00 H new ATOM 423 N THR A 26 -5.834 -7.542 4.181 1.00 0.00 N ATOM 424 CA THR A 26 -4.669 -8.386 3.941 1.00 0.00 C ATOM 425 C THR A 26 -4.934 -9.544 2.971 1.00 0.00 C ATOM 426 O THR A 26 -4.201 -9.721 2.004 1.00 0.00 O ATOM 427 CB THR A 26 -4.108 -8.899 5.276 1.00 0.00 C ATOM 428 OG1 THR A 26 -4.389 -7.970 6.303 1.00 0.00 O ATOM 429 CG2 THR A 26 -2.594 -9.123 5.174 1.00 0.00 C ATOM 0 H THR A 26 -6.013 -7.365 5.169 1.00 0.00 H new ATOM 0 HA THR A 26 -3.925 -7.760 3.449 1.00 0.00 H new ATOM 0 HB THR A 26 -4.584 -9.851 5.511 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.806 -7.188 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.215 -9.486 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.387 -9.859 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.103 -8.183 4.923 1.00 0.00 H new ATOM 437 N ASN A 27 -5.973 -10.348 3.204 1.00 0.00 N ATOM 438 CA ASN A 27 -6.233 -11.494 2.339 1.00 0.00 C ATOM 439 C ASN A 27 -6.438 -11.039 0.896 1.00 0.00 C ATOM 440 O ASN A 27 -5.892 -11.648 -0.026 1.00 0.00 O ATOM 441 CB ASN A 27 -7.450 -12.281 2.844 1.00 0.00 C ATOM 442 CG ASN A 27 -7.588 -13.688 2.250 1.00 0.00 C ATOM 443 OD1 ASN A 27 -8.190 -14.551 2.879 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.050 -13.976 1.065 1.00 0.00 N ATOM 0 H ASN A 27 -6.636 -10.229 3.970 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.366 -12.154 2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.389 -12.363 3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.353 -11.714 2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.139 -14.916 0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.550 -13.256 0.544 1.00 0.00 H new ATOM 451 N GLU A 28 -7.232 -9.985 0.705 1.00 0.00 N ATOM 452 CA GLU A 28 -7.539 -9.456 -0.606 1.00 0.00 C ATOM 453 C GLU A 28 -6.266 -8.913 -1.251 1.00 0.00 C ATOM 454 O GLU A 28 -6.001 -9.194 -2.416 1.00 0.00 O ATOM 455 CB GLU A 28 -8.585 -8.351 -0.456 1.00 0.00 C ATOM 456 CG GLU A 28 -9.927 -8.855 0.088 1.00 0.00 C ATOM 457 CD GLU A 28 -10.841 -7.687 0.452 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.341 -6.765 1.136 1.00 0.00 O ATOM 459 OE2 GLU A 28 -12.018 -7.734 0.038 1.00 0.00 O ATOM 0 H GLU A 28 -7.679 -9.477 1.468 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.938 -10.242 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.197 -7.581 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.748 -7.880 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.413 -9.484 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.757 -9.477 0.967 1.00 0.00 H new ATOM 466 N VAL A 29 -5.483 -8.136 -0.497 1.00 0.00 N ATOM 467 CA VAL A 29 -4.265 -7.522 -0.998 1.00 0.00 C ATOM 468 C VAL A 29 -3.297 -8.606 -1.465 1.00 0.00 C ATOM 469 O VAL A 29 -2.860 -8.576 -2.614 1.00 0.00 O ATOM 470 CB VAL A 29 -3.695 -6.513 0.029 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.544 -7.006 0.911 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.190 -5.250 -0.666 1.00 0.00 C ATOM 0 H VAL A 29 -5.683 -7.919 0.479 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.471 -6.917 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.552 -6.337 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.235 -6.208 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.875 -7.866 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.702 -7.296 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.795 -4.558 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.402 -5.513 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.012 -4.776 -1.202 1.00 0.00 H new ATOM 482 N ILE A 30 -2.999 -9.590 -0.610 1.00 0.00 N ATOM 483 CA ILE A 30 -2.105 -10.669 -0.985 1.00 0.00 C ATOM 484 C ILE A 30 -2.643 -11.392 -2.217 1.00 0.00 C ATOM 485 O ILE A 30 -1.906 -11.563 -3.185 1.00 0.00 O ATOM 486 CB ILE A 30 -1.827 -11.600 0.209 1.00 0.00 C ATOM 487 CG1 ILE A 30 -1.141 -10.763 1.307 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.939 -12.771 -0.241 1.00 0.00 C ATOM 489 CD1 ILE A 30 -0.434 -11.578 2.388 1.00 0.00 C ATOM 0 H ILE A 30 -3.366 -9.654 0.340 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.135 -10.257 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.752 -12.024 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.414 -10.101 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.890 -10.129 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.745 -13.427 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.447 -13.332 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.005 -12.385 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.018 -10.903 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.157 -12.221 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.342 -12.192 1.931 1.00 0.00 H new ATOM 501 N LYS A 31 -3.918 -11.791 -2.208 1.00 0.00 N ATOM 502 CA LYS A 31 -4.498 -12.497 -3.341 1.00 0.00 C ATOM 503 C LYS A 31 -4.334 -11.690 -4.637 1.00 0.00 C ATOM 504 O LYS A 31 -3.798 -12.197 -5.623 1.00 0.00 O ATOM 505 CB LYS A 31 -5.967 -12.827 -3.037 1.00 0.00 C ATOM 506 CG LYS A 31 -6.587 -13.826 -4.024 1.00 0.00 C ATOM 507 CD LYS A 31 -5.873 -15.190 -4.064 1.00 0.00 C ATOM 508 CE LYS A 31 -5.719 -15.862 -2.693 1.00 0.00 C ATOM 509 NZ LYS A 31 -7.015 -16.029 -2.012 1.00 0.00 N ATOM 0 H LYS A 31 -4.560 -11.636 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.966 -13.435 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.039 -13.233 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.549 -11.905 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.633 -13.982 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.573 -13.390 -5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.428 -15.858 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.884 -15.057 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.247 -16.836 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.056 -15.264 -2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.880 -16.576 -1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.407 -15.095 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.674 -16.534 -2.638 1.00 0.00 H new ATOM 523 N GLU A 32 -4.785 -10.433 -4.627 1.00 0.00 N ATOM 524 CA GLU A 32 -4.746 -9.540 -5.773 1.00 0.00 C ATOM 525 C GLU A 32 -3.313 -9.368 -6.281 1.00 0.00 C ATOM 526 O GLU A 32 -3.042 -9.577 -7.467 1.00 0.00 O ATOM 527 CB GLU A 32 -5.376 -8.197 -5.375 1.00 0.00 C ATOM 528 CG GLU A 32 -5.673 -7.305 -6.587 1.00 0.00 C ATOM 529 CD GLU A 32 -6.897 -7.785 -7.361 1.00 0.00 C ATOM 530 OE1 GLU A 32 -8.016 -7.466 -6.899 1.00 0.00 O ATOM 531 OE2 GLU A 32 -6.693 -8.464 -8.390 1.00 0.00 O ATOM 0 H GLU A 32 -5.196 -10.004 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.320 -9.968 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.301 -8.381 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.704 -7.671 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.834 -6.280 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.807 -7.292 -7.249 1.00 0.00 H new ATOM 538 N LEU A 33 -2.390 -8.977 -5.393 1.00 0.00 N ATOM 539 CA LEU A 33 -1.008 -8.785 -5.795 1.00 0.00 C ATOM 540 C LEU A 33 -0.447 -10.097 -6.337 1.00 0.00 C ATOM 541 O LEU A 33 -0.006 -10.105 -7.478 1.00 0.00 O ATOM 542 CB LEU A 33 -0.130 -8.179 -4.686 1.00 0.00 C ATOM 543 CG LEU A 33 -0.142 -6.637 -4.580 1.00 0.00 C ATOM 544 CD1 LEU A 33 0.154 -5.928 -5.909 1.00 0.00 C ATOM 545 CD2 LEU A 33 -1.440 -6.099 -3.971 1.00 0.00 C ATOM 0 H LEU A 33 -2.579 -8.792 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.991 -8.042 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.451 -8.592 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.898 -8.505 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 33 0.677 -6.403 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.129 -4.849 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.141 -6.222 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.598 -6.209 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.394 -5.011 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.285 -6.398 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.566 -6.504 -2.967 1.00 0.00 H new ATOM 557 N SER A 34 -0.495 -11.204 -5.587 1.00 0.00 N ATOM 558 CA SER A 34 0.026 -12.483 -6.061 1.00 0.00 C ATOM 559 C SER A 34 -0.548 -12.878 -7.427 1.00 0.00 C ATOM 560 O SER A 34 0.187 -13.404 -8.260 1.00 0.00 O ATOM 561 CB SER A 34 -0.211 -13.589 -5.028 1.00 0.00 C ATOM 562 OG SER A 34 0.525 -13.338 -3.845 1.00 0.00 O ATOM 0 H SER A 34 -0.891 -11.235 -4.648 1.00 0.00 H new ATOM 0 HA SER A 34 1.101 -12.357 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.274 -13.653 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.081 -14.552 -5.446 1.00 0.00 H new ATOM 0 HG SER A 34 1.481 -13.304 -4.056 1.00 0.00 H new ATOM 568 N LYS A 35 -1.846 -12.651 -7.665 1.00 0.00 N ATOM 569 CA LYS A 35 -2.447 -12.968 -8.956 1.00 0.00 C ATOM 570 C LYS A 35 -1.831 -12.115 -10.067 1.00 0.00 C ATOM 571 O LYS A 35 -1.469 -12.639 -11.117 1.00 0.00 O ATOM 572 CB LYS A 35 -3.964 -12.733 -8.923 1.00 0.00 C ATOM 573 CG LYS A 35 -4.726 -13.902 -8.291 1.00 0.00 C ATOM 574 CD LYS A 35 -6.228 -13.587 -8.318 1.00 0.00 C ATOM 575 CE LYS A 35 -7.080 -14.775 -7.860 1.00 0.00 C ATOM 576 NZ LYS A 35 -7.009 -15.905 -8.804 1.00 0.00 N ATOM 0 H LYS A 35 -2.491 -12.252 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.250 -14.020 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.175 -11.821 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.326 -12.575 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.524 -14.823 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.392 -14.060 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.429 -12.730 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.519 -13.302 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.744 -15.103 -6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.117 -14.457 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.735 -16.608 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.173 -15.560 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.068 -16.345 -8.748 1.00 0.00 H new ATOM 590 N THR A 36 -1.752 -10.800 -9.856 1.00 0.00 N ATOM 591 CA THR A 36 -1.229 -9.885 -10.862 1.00 0.00 C ATOM 592 C THR A 36 0.299 -9.992 -10.954 1.00 0.00 C ATOM 593 O THR A 36 0.848 -10.435 -11.960 1.00 0.00 O ATOM 594 CB THR A 36 -1.709 -8.458 -10.549 1.00 0.00 C ATOM 595 OG1 THR A 36 -1.428 -8.109 -9.209 1.00 0.00 O ATOM 596 CG2 THR A 36 -3.219 -8.327 -10.773 1.00 0.00 C ATOM 0 H THR A 36 -2.046 -10.347 -8.991 1.00 0.00 H new ATOM 0 HA THR A 36 -1.612 -10.157 -11.846 1.00 0.00 H new ATOM 0 HB THR A 36 -1.175 -7.788 -11.223 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.094 -8.518 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.534 -7.309 -10.545 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.454 -8.555 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.745 -9.024 -10.121 1.00 0.00 H new ATOM 604 N SER A 37 0.984 -9.556 -9.901 1.00 0.00 N ATOM 605 CA SER A 37 2.425 -9.578 -9.743 1.00 0.00 C ATOM 606 C SER A 37 2.797 -10.821 -8.933 1.00 0.00 C ATOM 607 O SER A 37 2.570 -10.848 -7.724 1.00 0.00 O ATOM 608 CB SER A 37 2.817 -8.309 -8.985 1.00 0.00 C ATOM 609 OG SER A 37 1.977 -8.170 -7.855 1.00 0.00 O ATOM 0 H SER A 37 0.515 -9.155 -9.089 1.00 0.00 H new ATOM 0 HA SER A 37 2.942 -9.612 -10.702 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.860 -8.363 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.722 -7.438 -9.634 1.00 0.00 H new ATOM 0 HG SER A 37 1.764 -9.056 -7.495 1.00 0.00 H new ATOM 615 N THR A 38 3.388 -11.833 -9.567 1.00 0.00 N ATOM 616 CA THR A 38 3.733 -13.094 -8.929 1.00 0.00 C ATOM 617 C THR A 38 4.797 -12.927 -7.834 1.00 0.00 C ATOM 618 O THR A 38 5.971 -13.219 -8.065 1.00 0.00 O ATOM 619 CB THR A 38 4.191 -14.070 -10.020 1.00 0.00 C ATOM 620 OG1 THR A 38 5.234 -13.466 -10.755 1.00 0.00 O ATOM 621 CG2 THR A 38 3.045 -14.422 -10.975 1.00 0.00 C ATOM 0 H THR A 38 3.643 -11.795 -10.554 1.00 0.00 H new ATOM 0 HA THR A 38 2.854 -13.489 -8.420 1.00 0.00 H new ATOM 0 HB THR A 38 4.530 -14.990 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.954 -13.201 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.405 -15.115 -11.735 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.234 -14.887 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.680 -13.514 -11.455 1.00 0.00 H new ATOM 629 N TRP A 39 4.379 -12.463 -6.655 1.00 0.00 N ATOM 630 CA TRP A 39 5.176 -12.289 -5.455 1.00 0.00 C ATOM 631 C TRP A 39 4.532 -13.111 -4.339 1.00 0.00 C ATOM 632 O TRP A 39 3.304 -13.202 -4.254 1.00 0.00 O ATOM 633 CB TRP A 39 5.190 -10.810 -5.056 1.00 0.00 C ATOM 634 CG TRP A 39 5.754 -9.823 -6.029 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.776 -10.031 -6.888 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.334 -8.444 -6.236 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.020 -8.881 -7.614 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.153 -7.869 -7.252 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.334 -7.622 -5.674 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.978 -6.551 -7.698 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.139 -6.304 -6.123 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.948 -5.774 -7.143 1.00 0.00 C ATOM 0 H TRP A 39 3.409 -12.182 -6.511 1.00 0.00 H new ATOM 0 HA TRP A 39 6.201 -12.617 -5.629 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.164 -10.514 -4.838 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.752 -10.721 -4.127 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.321 -10.958 -6.992 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.746 -8.791 -8.325 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.708 -8.012 -4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.626 -6.139 -8.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.363 -5.696 -5.682 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.778 -4.769 -7.500 1.00 0.00 H new ATOM 653 N SER A 40 5.359 -13.714 -3.486 1.00 0.00 N ATOM 654 CA SER A 40 4.913 -14.541 -2.379 1.00 0.00 C ATOM 655 C SER A 40 4.249 -13.692 -1.282 1.00 0.00 C ATOM 656 O SER A 40 4.496 -12.487 -1.207 1.00 0.00 O ATOM 657 CB SER A 40 6.143 -15.277 -1.833 1.00 0.00 C ATOM 658 OG SER A 40 6.913 -15.767 -2.916 1.00 0.00 O ATOM 0 H SER A 40 6.374 -13.637 -3.551 1.00 0.00 H new ATOM 0 HA SER A 40 4.161 -15.253 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.742 -14.603 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.833 -16.101 -1.190 1.00 0.00 H new ATOM 0 HG SER A 40 7.701 -16.237 -2.571 1.00 0.00 H new ATOM 664 N PRO A 41 3.441 -14.298 -0.394 1.00 0.00 N ATOM 665 CA PRO A 41 2.817 -13.595 0.718 1.00 0.00 C ATOM 666 C PRO A 41 3.825 -12.798 1.548 1.00 0.00 C ATOM 667 O PRO A 41 3.558 -11.659 1.929 1.00 0.00 O ATOM 668 CB PRO A 41 2.129 -14.678 1.553 1.00 0.00 C ATOM 669 CG PRO A 41 1.778 -15.734 0.508 1.00 0.00 C ATOM 670 CD PRO A 41 2.971 -15.675 -0.446 1.00 0.00 C ATOM 0 HA PRO A 41 2.107 -12.851 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.789 -15.075 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.241 -14.297 2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.665 -16.722 0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.842 -15.504 -0.000 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.754 -16.369 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.678 -15.952 -1.459 1.00 0.00 H new ATOM 678 N LYS A 42 4.974 -13.403 1.868 1.00 0.00 N ATOM 679 CA LYS A 42 6.024 -12.749 2.640 1.00 0.00 C ATOM 680 C LYS A 42 6.493 -11.498 1.892 1.00 0.00 C ATOM 681 O LYS A 42 6.550 -10.409 2.464 1.00 0.00 O ATOM 682 CB LYS A 42 7.162 -13.751 2.910 1.00 0.00 C ATOM 683 CG LYS A 42 8.139 -13.304 4.010 1.00 0.00 C ATOM 684 CD LYS A 42 9.219 -12.330 3.517 1.00 0.00 C ATOM 685 CE LYS A 42 10.061 -11.816 4.690 1.00 0.00 C ATOM 686 NZ LYS A 42 10.895 -10.672 4.281 1.00 0.00 N ATOM 0 H LYS A 42 5.198 -14.360 1.597 1.00 0.00 H new ATOM 0 HA LYS A 42 5.649 -12.424 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.728 -14.711 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.719 -13.911 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.575 -12.831 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.622 -14.184 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.862 -12.829 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.751 -11.490 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.406 -11.519 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.697 -12.618 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.480 -10.364 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.511 -10.956 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.283 -9.887 3.978 1.00 0.00 H new ATOM 700 N THR A 43 6.837 -11.664 0.612 1.00 0.00 N ATOM 701 CA THR A 43 7.278 -10.600 -0.272 1.00 0.00 C ATOM 702 C THR A 43 6.281 -9.441 -0.227 1.00 0.00 C ATOM 703 O THR A 43 6.658 -8.313 0.090 1.00 0.00 O ATOM 704 CB THR A 43 7.418 -11.191 -1.684 1.00 0.00 C ATOM 705 OG1 THR A 43 8.124 -12.414 -1.603 1.00 0.00 O ATOM 706 CG2 THR A 43 8.104 -10.248 -2.672 1.00 0.00 C ATOM 0 H THR A 43 6.813 -12.575 0.155 1.00 0.00 H new ATOM 0 HA THR A 43 8.242 -10.199 0.041 1.00 0.00 H new ATOM 0 HB THR A 43 6.412 -11.352 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.216 -12.799 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.170 -10.729 -3.648 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.526 -9.328 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.107 -10.014 -2.315 1.00 0.00 H new ATOM 714 N ILE A 44 5.008 -9.732 -0.510 1.00 0.00 N ATOM 715 CA ILE A 44 3.955 -8.727 -0.509 1.00 0.00 C ATOM 716 C ILE A 44 3.896 -8.021 0.836 1.00 0.00 C ATOM 717 O ILE A 44 3.958 -6.794 0.885 1.00 0.00 O ATOM 718 CB ILE A 44 2.608 -9.350 -0.902 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.648 -9.635 -2.411 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.462 -8.390 -0.544 1.00 0.00 C ATOM 721 CD1 ILE A 44 1.657 -10.719 -2.826 1.00 0.00 C ATOM 0 H ILE A 44 4.685 -10.670 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 44 4.186 -7.971 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 44 2.434 -10.279 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.428 -8.718 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.655 -9.940 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.510 -8.839 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.469 -8.199 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.593 -7.451 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.725 -10.882 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.892 -11.646 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.645 -10.404 -2.570 1.00 0.00 H new ATOM 733 N GLN A 45 3.769 -8.782 1.925 1.00 0.00 N ATOM 734 CA GLN A 45 3.701 -8.189 3.247 1.00 0.00 C ATOM 735 C GLN A 45 4.891 -7.264 3.467 1.00 0.00 C ATOM 736 O GLN A 45 4.684 -6.130 3.872 1.00 0.00 O ATOM 737 CB GLN A 45 3.602 -9.275 4.318 1.00 0.00 C ATOM 738 CG GLN A 45 2.194 -9.878 4.287 1.00 0.00 C ATOM 739 CD GLN A 45 2.113 -11.154 5.110 1.00 0.00 C ATOM 740 OE1 GLN A 45 1.504 -11.189 6.174 1.00 0.00 O ATOM 741 NE2 GLN A 45 2.729 -12.217 4.608 1.00 0.00 N ATOM 0 H GLN A 45 3.712 -9.800 1.911 1.00 0.00 H new ATOM 0 HA GLN A 45 2.798 -7.583 3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.348 -10.050 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.810 -8.854 5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.478 -9.151 4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.911 -10.091 3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.225 -12.147 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.706 -13.104 5.111 1.00 0.00 H new ATOM 750 N THR A 46 6.112 -7.705 3.156 1.00 0.00 N ATOM 751 CA THR A 46 7.300 -6.873 3.310 1.00 0.00 C ATOM 752 C THR A 46 7.134 -5.558 2.535 1.00 0.00 C ATOM 753 O THR A 46 7.198 -4.477 3.121 1.00 0.00 O ATOM 754 CB THR A 46 8.553 -7.650 2.869 1.00 0.00 C ATOM 755 OG1 THR A 46 8.618 -8.894 3.539 1.00 0.00 O ATOM 756 CG2 THR A 46 9.834 -6.875 3.190 1.00 0.00 C ATOM 0 H THR A 46 6.301 -8.640 2.794 1.00 0.00 H new ATOM 0 HA THR A 46 7.427 -6.616 4.362 1.00 0.00 H new ATOM 0 HB THR A 46 8.477 -7.796 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.961 -9.509 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.700 -7.452 2.865 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.820 -5.918 2.669 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.895 -6.702 4.265 1.00 0.00 H new ATOM 764 N MET A 47 6.908 -5.652 1.218 1.00 0.00 N ATOM 765 CA MET A 47 6.748 -4.497 0.348 1.00 0.00 C ATOM 766 C MET A 47 5.683 -3.526 0.864 1.00 0.00 C ATOM 767 O MET A 47 5.905 -2.318 0.895 1.00 0.00 O ATOM 768 CB MET A 47 6.366 -4.966 -1.062 1.00 0.00 C ATOM 769 CG MET A 47 7.505 -5.705 -1.770 1.00 0.00 C ATOM 770 SD MET A 47 7.063 -6.301 -3.424 1.00 0.00 S ATOM 771 CE MET A 47 8.693 -6.781 -4.032 1.00 0.00 C ATOM 0 H MET A 47 6.832 -6.544 0.729 1.00 0.00 H new ATOM 0 HA MET A 47 7.700 -3.966 0.330 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.497 -5.621 -0.999 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.072 -4.103 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.365 -5.040 -1.850 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.814 -6.552 -1.158 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.603 -7.172 -5.045 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.350 -5.912 -4.036 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.112 -7.549 -3.382 1.00 0.00 H new ATOM 781 N LEU A 48 4.519 -4.046 1.252 1.00 0.00 N ATOM 782 CA LEU A 48 3.388 -3.233 1.645 1.00 0.00 C ATOM 783 C LEU A 48 3.635 -2.633 3.021 1.00 0.00 C ATOM 784 O LEU A 48 3.473 -1.436 3.232 1.00 0.00 O ATOM 785 CB LEU A 48 2.129 -4.084 1.456 1.00 0.00 C ATOM 786 CG LEU A 48 1.433 -4.735 2.642 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.568 -3.667 3.316 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.494 -5.830 2.138 1.00 0.00 C ATOM 0 H LEU A 48 4.342 -5.049 1.300 1.00 0.00 H new ATOM 0 HA LEU A 48 3.239 -2.350 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.391 -3.454 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.386 -4.883 0.760 1.00 0.00 H new ATOM 0 HG LEU A 48 2.171 -5.153 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.054 -4.103 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.200 -2.845 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.167 -3.292 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.006 -6.299 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.251 -5.393 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.069 -6.581 1.595 1.00 0.00 H new ATOM 800 N LEU A 49 4.070 -3.479 3.943 1.00 0.00 N ATOM 801 CA LEU A 49 4.449 -3.109 5.309 1.00 0.00 C ATOM 802 C LEU A 49 5.326 -1.856 5.320 1.00 0.00 C ATOM 803 O LEU A 49 5.103 -0.969 6.144 1.00 0.00 O ATOM 804 CB LEU A 49 5.094 -4.285 6.056 1.00 0.00 C ATOM 805 CG LEU A 49 5.448 -3.973 7.522 1.00 0.00 C ATOM 806 CD1 LEU A 49 5.315 -5.249 8.362 1.00 0.00 C ATOM 807 CD2 LEU A 49 6.883 -3.450 7.671 1.00 0.00 C ATOM 0 H LEU A 49 4.174 -4.477 3.760 1.00 0.00 H new ATOM 0 HA LEU A 49 3.537 -2.862 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.414 -5.136 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.000 -4.584 5.529 1.00 0.00 H new ATOM 0 HG LEU A 49 4.759 -3.200 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.565 -5.029 9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.290 -5.616 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.995 -6.010 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.088 -3.244 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.584 -4.201 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.998 -2.534 7.092 1.00 0.00 H new ATOM 819 N ARG A 50 6.298 -1.753 4.405 1.00 0.00 N ATOM 820 CA ARG A 50 7.136 -0.559 4.294 1.00 0.00 C ATOM 821 C ARG A 50 6.289 0.721 4.299 1.00 0.00 C ATOM 822 O ARG A 50 6.625 1.701 4.958 1.00 0.00 O ATOM 823 CB ARG A 50 7.966 -0.595 3.014 1.00 0.00 C ATOM 824 CG ARG A 50 8.833 -1.856 2.932 1.00 0.00 C ATOM 825 CD ARG A 50 10.278 -1.493 2.587 1.00 0.00 C ATOM 826 NE ARG A 50 10.986 -2.636 1.995 1.00 0.00 N ATOM 827 CZ ARG A 50 10.858 -3.042 0.723 1.00 0.00 C ATOM 828 NH1 ARG A 50 10.042 -2.400 -0.122 1.00 0.00 N ATOM 829 NH2 ARG A 50 11.558 -4.099 0.299 1.00 0.00 N ATOM 0 H ARG A 50 6.522 -2.485 3.731 1.00 0.00 H new ATOM 0 HA ARG A 50 7.798 -0.552 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.303 -0.553 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.604 0.288 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.803 -2.387 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.432 -2.532 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.289 -0.655 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.798 -1.166 3.487 1.00 0.00 H new ATOM 0 HE ARG A 50 11.622 -3.160 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.509 -1.592 0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.954 -2.719 -1.087 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.182 -4.588 0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.468 -4.416 -0.666 1.00 0.00 H new ATOM 843 N LEU A 51 5.176 0.696 3.566 1.00 0.00 N ATOM 844 CA LEU A 51 4.254 1.810 3.408 1.00 0.00 C ATOM 845 C LEU A 51 3.517 2.123 4.708 1.00 0.00 C ATOM 846 O LEU A 51 3.085 3.257 4.922 1.00 0.00 O ATOM 847 CB LEU A 51 3.257 1.488 2.290 1.00 0.00 C ATOM 848 CG LEU A 51 3.955 0.980 1.018 1.00 0.00 C ATOM 849 CD1 LEU A 51 2.903 0.752 -0.068 1.00 0.00 C ATOM 850 CD2 LEU A 51 5.023 1.985 0.581 1.00 0.00 C ATOM 0 H LEU A 51 4.885 -0.134 3.049 1.00 0.00 H new ATOM 0 HA LEU A 51 4.829 2.697 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.551 0.735 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.679 2.381 2.053 1.00 0.00 H new ATOM 0 HG LEU A 51 4.458 0.032 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.388 0.391 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.180 0.012 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.390 1.690 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.516 1.623 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.555 2.948 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.760 2.102 1.376 1.00 0.00 H new ATOM 862 N ILE A 52 3.354 1.113 5.562 1.00 0.00 N ATOM 863 CA ILE A 52 2.740 1.264 6.866 1.00 0.00 C ATOM 864 C ILE A 52 3.775 1.946 7.756 1.00 0.00 C ATOM 865 O ILE A 52 3.491 2.970 8.372 1.00 0.00 O ATOM 866 CB ILE A 52 2.268 -0.096 7.415 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.433 -0.847 6.362 1.00 0.00 C ATOM 868 CG2 ILE A 52 1.449 0.124 8.693 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.012 -2.244 6.826 1.00 0.00 C ATOM 0 H ILE A 52 3.651 0.159 5.358 1.00 0.00 H new ATOM 0 HA ILE A 52 1.839 1.876 6.821 1.00 0.00 H new ATOM 0 HB ILE A 52 3.140 -0.706 7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.543 -0.263 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.010 -0.933 5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.115 -0.838 9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.067 0.622 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.582 0.745 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.426 -2.726 6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.900 -2.841 7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.410 -2.161 7.731 1.00 0.00 H new ATOM 881 N LYS A 53 5.001 1.411 7.772 1.00 0.00 N ATOM 882 CA LYS A 53 6.108 1.978 8.533 1.00 0.00 C ATOM 883 C LYS A 53 6.318 3.452 8.155 1.00 0.00 C ATOM 884 O LYS A 53 6.499 4.299 9.026 1.00 0.00 O ATOM 885 CB LYS A 53 7.369 1.132 8.307 1.00 0.00 C ATOM 886 CG LYS A 53 8.479 1.510 9.295 1.00 0.00 C ATOM 887 CD LYS A 53 9.726 0.653 9.047 1.00 0.00 C ATOM 888 CE LYS A 53 10.833 1.026 10.038 1.00 0.00 C ATOM 889 NZ LYS A 53 12.043 0.213 9.823 1.00 0.00 N ATOM 0 H LYS A 53 5.249 0.569 7.253 1.00 0.00 H new ATOM 0 HA LYS A 53 5.877 1.955 9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.125 0.075 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.725 1.272 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.728 2.566 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.129 1.368 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.476 -0.403 9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.078 0.799 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.079 2.082 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.474 0.884 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.774 0.490 10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.812 -0.793 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.398 0.368 8.858 1.00 0.00 H new ATOM 903 N LYS A 54 6.277 3.761 6.856 1.00 0.00 N ATOM 904 CA LYS A 54 6.424 5.102 6.323 1.00 0.00 C ATOM 905 C LYS A 54 5.191 5.984 6.576 1.00 0.00 C ATOM 906 O LYS A 54 5.226 7.170 6.257 1.00 0.00 O ATOM 907 CB LYS A 54 6.675 4.963 4.817 1.00 0.00 C ATOM 908 CG LYS A 54 8.104 4.489 4.513 1.00 0.00 C ATOM 909 CD LYS A 54 8.269 4.008 3.062 1.00 0.00 C ATOM 910 CE LYS A 54 7.742 4.991 2.010 1.00 0.00 C ATOM 911 NZ LYS A 54 8.332 6.332 2.154 1.00 0.00 N ATOM 0 H LYS A 54 6.136 3.058 6.131 1.00 0.00 H new ATOM 0 HA LYS A 54 7.254 5.597 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.961 4.256 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.500 5.922 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.802 5.304 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.367 3.679 5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.326 3.821 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.751 3.056 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.960 4.605 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.658 5.063 2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.580 7.049 2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.819 6.400 3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.014 6.495 1.386 1.00 0.00 H new ATOM 925 N GLY A 55 4.094 5.435 7.108 1.00 0.00 N ATOM 926 CA GLY A 55 2.872 6.191 7.346 1.00 0.00 C ATOM 927 C GLY A 55 2.217 6.651 6.041 1.00 0.00 C ATOM 928 O GLY A 55 1.446 7.611 6.038 1.00 0.00 O ATOM 0 H GLY A 55 4.034 4.455 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.169 5.576 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.098 7.060 7.964 1.00 0.00 H new ATOM 932 N ALA A 56 2.503 5.963 4.932 1.00 0.00 N ATOM 933 CA ALA A 56 1.915 6.256 3.633 1.00 0.00 C ATOM 934 C ALA A 56 0.533 5.607 3.576 1.00 0.00 C ATOM 935 O ALA A 56 -0.412 6.184 3.043 1.00 0.00 O ATOM 936 CB ALA A 56 2.837 5.752 2.520 1.00 0.00 C ATOM 0 H ALA A 56 3.157 5.180 4.916 1.00 0.00 H new ATOM 0 HA ALA A 56 1.801 7.330 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.392 5.974 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.805 6.248 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.972 4.675 2.619 1.00 0.00 H new ATOM 942 N LEU A 57 0.413 4.399 4.128 1.00 0.00 N ATOM 943 CA LEU A 57 -0.846 3.681 4.246 1.00 0.00 C ATOM 944 C LEU A 57 -1.110 3.519 5.743 1.00 0.00 C ATOM 945 O LEU A 57 -0.264 2.982 6.452 1.00 0.00 O ATOM 946 CB LEU A 57 -0.711 2.310 3.568 1.00 0.00 C ATOM 947 CG LEU A 57 -1.081 2.286 2.074 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.443 3.389 1.220 1.00 0.00 C ATOM 949 CD2 LEU A 57 -0.645 0.932 1.512 1.00 0.00 C ATOM 0 H LEU A 57 1.207 3.887 4.512 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.668 4.212 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.318 1.966 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.344 1.596 4.095 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.156 2.458 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.768 3.282 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.749 4.365 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.643 3.305 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.893 0.881 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.431 0.815 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.162 0.134 2.044 1.00 0.00 H new ATOM 961 N ASN A 58 -2.265 3.971 6.237 1.00 0.00 N ATOM 962 CA ASN A 58 -2.632 3.816 7.640 1.00 0.00 C ATOM 963 C ASN A 58 -3.413 2.514 7.772 1.00 0.00 C ATOM 964 O ASN A 58 -4.392 2.318 7.054 1.00 0.00 O ATOM 965 CB ASN A 58 -3.470 5.005 8.122 1.00 0.00 C ATOM 966 CG ASN A 58 -4.121 4.693 9.468 1.00 0.00 C ATOM 967 OD1 ASN A 58 -5.339 4.684 9.593 1.00 0.00 O ATOM 968 ND2 ASN A 58 -3.316 4.400 10.486 1.00 0.00 N ATOM 0 H ASN A 58 -2.967 4.452 5.675 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.737 3.785 8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.838 5.889 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.239 5.238 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.711 4.161 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.304 4.414 10.357 1.00 0.00 H new ATOM 975 N HIS A 59 -2.994 1.618 8.664 1.00 0.00 N ATOM 976 CA HIS A 59 -3.639 0.331 8.845 1.00 0.00 C ATOM 977 C HIS A 59 -4.680 0.354 9.961 1.00 0.00 C ATOM 978 O HIS A 59 -4.581 1.116 10.920 1.00 0.00 O ATOM 979 CB HIS A 59 -2.602 -0.767 9.091 1.00 0.00 C ATOM 980 CG HIS A 59 -1.675 -0.538 10.261 1.00 0.00 C ATOM 981 ND1 HIS A 59 -1.220 0.735 10.614 1.00 0.00 N ATOM 982 CD2 HIS A 59 -1.099 -1.458 11.097 1.00 0.00 C ATOM 983 CE1 HIS A 59 -0.417 0.536 11.661 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.308 -0.762 11.989 1.00 0.00 N ATOM 0 H HIS A 59 -2.195 1.770 9.280 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.170 0.108 7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.127 -1.710 9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.999 -0.881 8.190 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.238 -2.529 11.064 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.090 1.331 12.187 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.249 -1.156 12.747 1.00 0.00 H new ATOM 992 N HIS A 60 -5.672 -0.523 9.811 1.00 0.00 N ATOM 993 CA HIS A 60 -6.779 -0.755 10.729 1.00 0.00 C ATOM 994 C HIS A 60 -6.927 -2.267 10.912 1.00 0.00 C ATOM 995 O HIS A 60 -6.686 -3.008 9.965 1.00 0.00 O ATOM 996 CB HIS A 60 -8.055 -0.136 10.169 1.00 0.00 C ATOM 997 CG HIS A 60 -9.311 -0.714 10.765 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.997 -1.750 10.132 1.00 0.00 N ATOM 999 CD2 HIS A 60 -9.908 -0.458 11.971 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -10.988 -2.066 10.968 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -10.973 -1.328 12.089 1.00 0.00 N ATOM 0 H HIS A 60 -5.724 -1.128 8.991 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.588 -0.289 11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.038 0.939 10.349 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.075 -0.278 9.089 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.603 0.285 12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.722 -2.832 10.765 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.621 -1.397 12.874 1.00 0.00 H new ATOM 1009 N LYS A 61 -7.292 -2.740 12.107 1.00 0.00 N ATOM 1010 CA LYS A 61 -7.467 -4.164 12.369 1.00 0.00 C ATOM 1011 C LYS A 61 -8.900 -4.609 12.063 1.00 0.00 C ATOM 1012 O LYS A 61 -9.813 -4.366 12.853 1.00 0.00 O ATOM 1013 CB LYS A 61 -7.109 -4.489 13.824 1.00 0.00 C ATOM 1014 CG LYS A 61 -5.602 -4.342 14.081 1.00 0.00 C ATOM 1015 CD LYS A 61 -5.196 -4.919 15.447 1.00 0.00 C ATOM 1016 CE LYS A 61 -4.759 -6.392 15.387 1.00 0.00 C ATOM 1017 NZ LYS A 61 -5.825 -7.297 14.920 1.00 0.00 N ATOM 0 H LYS A 61 -7.473 -2.145 12.916 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.793 -4.712 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.659 -3.826 14.492 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.421 -5.507 14.058 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.048 -4.851 13.292 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.327 -3.288 14.035 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.380 -4.323 15.856 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.036 -4.825 16.136 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.899 -6.482 14.724 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.432 -6.708 16.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.536 -8.284 15.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.700 -7.104 15.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.992 -7.142 13.905 1.00 0.00 H new ATOM 1031 N GLU A 62 -9.101 -5.302 10.942 1.00 0.00 N ATOM 1032 CA GLU A 62 -10.385 -5.884 10.595 1.00 0.00 C ATOM 1033 C GLU A 62 -10.413 -7.263 11.260 1.00 0.00 C ATOM 1034 O GLU A 62 -10.238 -8.306 10.624 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.519 -5.913 9.067 1.00 0.00 C ATOM 1036 CG GLU A 62 -11.842 -6.500 8.568 1.00 0.00 C ATOM 1037 CD GLU A 62 -11.949 -6.425 7.047 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -11.401 -7.335 6.386 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.573 -5.454 6.569 1.00 0.00 O ATOM 0 H GLU A 62 -8.371 -5.473 10.250 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.243 -5.313 10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.417 -4.897 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.696 -6.494 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.924 -7.538 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.674 -5.960 9.019 1.00 0.00 H new ATOM 1046 N GLY A 63 -10.660 -7.235 12.572 1.00 0.00 N ATOM 1047 CA GLY A 63 -10.750 -8.401 13.437 1.00 0.00 C ATOM 1048 C GLY A 63 -9.471 -9.241 13.437 1.00 0.00 C ATOM 1049 O GLY A 63 -8.658 -9.140 14.353 1.00 0.00 O ATOM 0 H GLY A 63 -10.808 -6.360 13.076 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.966 -8.076 14.455 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.587 -9.022 13.116 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.319 -10.086 12.416 1.00 0.00 N ATOM 1054 CA ARG A 64 -8.208 -11.016 12.255 1.00 0.00 C ATOM 1055 C ARG A 64 -7.207 -10.527 11.208 1.00 0.00 C ATOM 1056 O ARG A 64 -6.011 -10.767 11.351 1.00 0.00 O ATOM 1057 CB ARG A 64 -8.744 -12.401 11.875 1.00 0.00 C ATOM 1058 CG ARG A 64 -9.796 -12.954 12.849 1.00 0.00 C ATOM 1059 CD ARG A 64 -9.298 -13.050 14.285 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.266 -13.733 15.155 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.437 -15.060 15.243 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.722 -15.891 14.477 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.334 -15.551 16.104 1.00 0.00 N ATOM 0 H ARG A 64 -9.993 -10.141 11.652 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.679 -11.079 13.206 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.180 -12.349 10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.909 -13.100 11.823 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.679 -12.315 12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.107 -13.943 12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.349 -13.587 14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.106 -12.049 14.671 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.859 -13.147 15.743 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.039 -15.517 13.818 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.860 -16.899 14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.881 -14.918 16.687 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.471 -16.559 16.178 1.00 0.00 H new ATOM 1077 N VAL A 65 -7.689 -9.872 10.148 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.847 -9.332 9.085 1.00 0.00 C ATOM 1079 C VAL A 65 -6.771 -7.820 9.284 1.00 0.00 C ATOM 1080 O VAL A 65 -7.441 -7.286 10.167 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.381 -9.744 7.700 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -7.271 -11.263 7.519 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.831 -9.309 7.458 1.00 0.00 C ATOM 0 H VAL A 65 -8.685 -9.702 10.005 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.837 -9.740 9.132 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.761 -9.228 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.652 -11.541 6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.227 -11.565 7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.856 -11.765 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.146 -9.630 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.477 -9.764 8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.902 -8.224 7.528 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.937 -7.116 8.518 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.807 -5.673 8.634 1.00 0.00 C ATOM 1095 C PHE A 66 -6.076 -4.999 7.288 1.00 0.00 C ATOM 1096 O PHE A 66 -5.724 -5.533 6.237 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.511 -5.262 9.362 1.00 0.00 C ATOM 1098 CG PHE A 66 -3.159 -5.762 8.869 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.868 -7.141 8.828 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.093 -4.845 8.769 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -1.573 -7.587 8.512 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.787 -5.291 8.500 1.00 0.00 C ATOM 1103 CZ PHE A 66 -0.533 -6.661 8.334 1.00 0.00 C ATOM 0 H PHE A 66 -5.338 -7.532 7.805 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.584 -5.287 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.472 -4.173 9.360 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.611 -5.576 10.401 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.646 -7.860 9.041 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.281 -3.790 8.900 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.378 -8.644 8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.021 -4.579 8.421 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.458 -7.001 8.071 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.784 -3.867 7.341 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.209 -3.053 6.215 1.00 0.00 C ATOM 1115 C VAL A 67 -6.278 -1.859 6.092 1.00 0.00 C ATOM 1116 O VAL A 67 -5.911 -1.269 7.107 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.677 -2.628 6.399 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.104 -1.521 5.424 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.591 -3.835 6.169 1.00 0.00 C ATOM 0 H VAL A 67 -7.092 -3.476 8.231 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.154 -3.625 5.289 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.765 -2.242 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.148 -1.263 5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.481 -0.640 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.986 -1.873 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.631 -3.534 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.447 -4.213 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.347 -4.618 6.887 1.00 0.00 H new ATOM 1129 N TYR A 68 -5.904 -1.512 4.858 1.00 0.00 N ATOM 1130 CA TYR A 68 -4.994 -0.412 4.565 1.00 0.00 C ATOM 1131 C TYR A 68 -5.765 0.760 3.969 1.00 0.00 C ATOM 1132 O TYR A 68 -6.385 0.609 2.919 1.00 0.00 O ATOM 1133 CB TYR A 68 -3.931 -0.894 3.574 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.328 -2.226 3.957 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.497 -2.306 5.087 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.842 -3.402 3.382 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -2.218 -3.555 5.661 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.566 -4.647 3.962 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.786 -4.722 5.125 1.00 0.00 C ATOM 1140 OH TYR A 68 -2.602 -5.927 5.734 1.00 0.00 O ATOM 0 H TYR A 68 -6.233 -1.998 4.024 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.514 -0.081 5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.376 -0.975 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.139 -0.148 3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.074 -1.408 5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.451 -3.345 2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.564 -3.619 6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.954 -5.549 3.513 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.625 -5.809 6.707 1.00 0.00 H new ATOM 1150 N THR A 69 -5.706 1.922 4.620 1.00 0.00 N ATOM 1151 CA THR A 69 -6.343 3.151 4.174 1.00 0.00 C ATOM 1152 C THR A 69 -5.241 4.085 3.645 1.00 0.00 C ATOM 1153 O THR A 69 -4.341 4.454 4.401 1.00 0.00 O ATOM 1154 CB THR A 69 -7.168 3.771 5.316 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.383 4.105 6.438 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.274 2.816 5.777 1.00 0.00 C ATOM 0 H THR A 69 -5.198 2.032 5.497 1.00 0.00 H new ATOM 0 HA THR A 69 -7.051 2.962 3.367 1.00 0.00 H new ATOM 0 HB THR A 69 -7.598 4.685 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.802 3.350 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.841 3.279 6.584 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.941 2.601 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.828 1.887 6.133 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.227 4.422 2.344 1.00 0.00 N ATOM 1165 CA PRO A 70 -4.223 5.308 1.775 1.00 0.00 C ATOM 1166 C PRO A 70 -4.202 6.676 2.467 1.00 0.00 C ATOM 1167 O PRO A 70 -5.217 7.367 2.487 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.587 5.442 0.292 1.00 0.00 C ATOM 1169 CG PRO A 70 -5.333 4.143 -0.008 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.074 3.870 1.299 1.00 0.00 C ATOM 0 HA PRO A 70 -3.221 4.902 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.212 6.316 0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.699 5.549 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.020 4.255 -0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.649 3.333 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.057 4.341 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.233 2.802 1.445 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.057 7.074 3.030 1.00 0.00 N ATOM 1179 CA ASN A 71 -2.900 8.382 3.666 1.00 0.00 C ATOM 1180 C ASN A 71 -2.765 9.456 2.588 1.00 0.00 C ATOM 1181 O ASN A 71 -3.282 10.562 2.713 1.00 0.00 O ATOM 1182 CB ASN A 71 -1.659 8.376 4.556 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.614 9.517 5.569 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.552 10.291 5.714 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -0.508 9.625 6.298 1.00 0.00 N ATOM 0 H ASN A 71 -2.215 6.498 3.057 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.774 8.597 4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.613 7.427 5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.772 8.429 3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.427 10.364 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.260 8.969 6.159 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.062 9.092 1.511 1.00 0.00 N ATOM 1193 CA ILE A 72 -1.803 9.940 0.352 1.00 0.00 C ATOM 1194 C ILE A 72 -2.563 9.413 -0.875 1.00 0.00 C ATOM 1195 O ILE A 72 -2.925 8.237 -0.956 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.287 10.098 0.079 1.00 0.00 C ATOM 1197 CG1 ILE A 72 0.431 8.872 -0.515 1.00 0.00 C ATOM 1198 CG2 ILE A 72 0.482 10.591 1.313 1.00 0.00 C ATOM 1199 CD1 ILE A 72 0.273 7.582 0.287 1.00 0.00 C ATOM 0 H ILE A 72 -1.645 8.165 1.423 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.176 10.940 0.572 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.271 10.857 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.056 8.703 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.493 9.099 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.540 10.685 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.093 11.562 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.360 9.877 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.813 6.776 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.676 7.725 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.784 7.323 0.355 1.00 0.00 H new ATOM 1211 N ASP A 73 -2.836 10.316 -1.821 1.00 0.00 N ATOM 1212 CA ASP A 73 -3.532 10.038 -3.073 1.00 0.00 C ATOM 1213 C ASP A 73 -2.508 9.828 -4.188 1.00 0.00 C ATOM 1214 O ASP A 73 -1.379 10.298 -4.068 1.00 0.00 O ATOM 1215 CB ASP A 73 -4.443 11.229 -3.410 1.00 0.00 C ATOM 1216 CG ASP A 73 -5.063 11.091 -4.798 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -5.962 10.235 -4.933 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -4.577 11.793 -5.714 1.00 0.00 O ATOM 0 H ASP A 73 -2.567 11.296 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.136 9.136 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.234 11.304 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.867 12.153 -3.359 1.00 0.00 H new ATOM 1223 N GLU A 74 -2.921 9.175 -5.281 1.00 0.00 N ATOM 1224 CA GLU A 74 -2.114 8.936 -6.473 1.00 0.00 C ATOM 1225 C GLU A 74 -1.306 10.176 -6.860 1.00 0.00 C ATOM 1226 O GLU A 74 -0.093 10.107 -7.054 1.00 0.00 O ATOM 1227 CB GLU A 74 -3.022 8.521 -7.641 1.00 0.00 C ATOM 1228 CG GLU A 74 -3.863 7.284 -7.307 1.00 0.00 C ATOM 1229 CD GLU A 74 -4.489 6.671 -8.554 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -5.338 7.359 -9.161 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -4.097 5.530 -8.880 1.00 0.00 O ATOM 0 H GLU A 74 -3.861 8.786 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.412 8.133 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.683 9.349 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.411 8.316 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.237 6.542 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.649 7.558 -6.603 1.00 0.00 H new ATOM 1238 N SER A 75 -1.990 11.320 -6.951 1.00 0.00 N ATOM 1239 CA SER A 75 -1.381 12.593 -7.306 1.00 0.00 C ATOM 1240 C SER A 75 -0.161 12.893 -6.435 1.00 0.00 C ATOM 1241 O SER A 75 0.847 13.387 -6.931 1.00 0.00 O ATOM 1242 CB SER A 75 -2.415 13.716 -7.168 1.00 0.00 C ATOM 1243 OG SER A 75 -3.643 13.336 -7.760 1.00 0.00 O ATOM 0 H SER A 75 -2.993 11.383 -6.777 1.00 0.00 H new ATOM 0 HA SER A 75 -1.043 12.531 -8.340 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.569 13.949 -6.114 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.041 14.623 -7.643 1.00 0.00 H new ATOM 0 HG SER A 75 -4.191 12.861 -7.101 1.00 0.00 H new ATOM 1249 N ASP A 76 -0.254 12.569 -5.141 1.00 0.00 N ATOM 1250 CA ASP A 76 0.787 12.812 -4.159 1.00 0.00 C ATOM 1251 C ASP A 76 1.684 11.583 -3.969 1.00 0.00 C ATOM 1252 O ASP A 76 2.168 11.346 -2.866 1.00 0.00 O ATOM 1253 CB ASP A 76 0.134 13.293 -2.854 1.00 0.00 C ATOM 1254 CG ASP A 76 1.146 13.869 -1.864 1.00 0.00 C ATOM 1255 OD1 ASP A 76 1.840 14.834 -2.254 1.00 0.00 O ATOM 1256 OD2 ASP A 76 1.186 13.359 -0.723 1.00 0.00 O ATOM 0 H ASP A 76 -1.080 12.119 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 76 1.454 13.597 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.614 14.052 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.391 12.460 -2.387 1.00 0.00 H new ATOM 1261 N TYR A 77 1.910 10.795 -5.030 1.00 0.00 N ATOM 1262 CA TYR A 77 2.868 9.692 -5.003 1.00 0.00 C ATOM 1263 C TYR A 77 4.250 10.322 -4.791 1.00 0.00 C ATOM 1264 O TYR A 77 4.785 10.293 -3.687 1.00 0.00 O ATOM 1265 CB TYR A 77 2.753 8.875 -6.306 1.00 0.00 C ATOM 1266 CG TYR A 77 3.975 8.062 -6.698 1.00 0.00 C ATOM 1267 CD1 TYR A 77 4.523 7.123 -5.805 1.00 0.00 C ATOM 1268 CD2 TYR A 77 4.597 8.282 -7.944 1.00 0.00 C ATOM 1269 CE1 TYR A 77 5.677 6.407 -6.165 1.00 0.00 C ATOM 1270 CE2 TYR A 77 5.771 7.588 -8.282 1.00 0.00 C ATOM 1271 CZ TYR A 77 6.322 6.661 -7.384 1.00 0.00 C ATOM 1272 OH TYR A 77 7.489 6.027 -7.687 1.00 0.00 O ATOM 0 H TYR A 77 1.434 10.907 -5.925 1.00 0.00 H new ATOM 0 HA TYR A 77 2.678 8.984 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.906 8.196 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.522 9.561 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.058 6.953 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.169 8.987 -8.642 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.071 5.655 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.250 7.768 -9.233 1.00 0.00 H new ATOM 0 HH TYR A 77 7.903 5.693 -6.864 1.00 0.00 H new ATOM 1282 N ILE A 78 4.832 10.883 -5.854 1.00 0.00 N ATOM 1283 CA ILE A 78 6.052 11.674 -5.792 1.00 0.00 C ATOM 1284 C ILE A 78 5.667 13.013 -6.421 1.00 0.00 C ATOM 1285 O ILE A 78 5.677 13.152 -7.641 1.00 0.00 O ATOM 1286 CB ILE A 78 7.223 10.951 -6.486 1.00 0.00 C ATOM 1287 CG1 ILE A 78 7.553 9.674 -5.690 1.00 0.00 C ATOM 1288 CG2 ILE A 78 8.462 11.859 -6.547 1.00 0.00 C ATOM 1289 CD1 ILE A 78 8.724 8.877 -6.271 1.00 0.00 C ATOM 0 H ILE A 78 4.457 10.795 -6.798 1.00 0.00 H new ATOM 0 HA ILE A 78 6.422 11.827 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 78 6.936 10.697 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.785 9.947 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.670 9.036 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.277 11.330 -7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.224 12.763 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.765 12.130 -5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.900 7.992 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.487 8.573 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.620 9.498 -6.276 1.00 0.00 H new ATOM 1301 N GLU A 79 5.266 13.970 -5.582 1.00 0.00 N ATOM 1302 CA GLU A 79 4.838 15.305 -5.962 1.00 0.00 C ATOM 1303 C GLU A 79 5.754 16.318 -5.282 1.00 0.00 C ATOM 1304 O GLU A 79 6.111 16.131 -4.120 1.00 0.00 O ATOM 1305 CB GLU A 79 3.378 15.482 -5.522 1.00 0.00 C ATOM 1306 CG GLU A 79 2.757 16.829 -5.911 1.00 0.00 C ATOM 1307 CD GLU A 79 1.370 16.999 -5.293 1.00 0.00 C ATOM 1308 OE1 GLU A 79 0.475 16.206 -5.660 1.00 0.00 O ATOM 1309 OE2 GLU A 79 1.232 17.917 -4.455 1.00 0.00 O ATOM 0 H GLU A 79 5.232 13.822 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 79 4.899 15.457 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.781 14.681 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.321 15.369 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.406 17.640 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.685 16.899 -6.996 1.00 0.00 H new ATOM 1316 N VAL A 80 6.126 17.382 -5.996 1.00 0.00 N ATOM 1317 CA VAL A 80 6.890 18.495 -5.454 1.00 0.00 C ATOM 1318 C VAL A 80 5.885 19.620 -5.198 1.00 0.00 C ATOM 1319 O VAL A 80 4.974 19.813 -6.003 1.00 0.00 O ATOM 1320 CB VAL A 80 8.028 18.889 -6.417 1.00 0.00 C ATOM 1321 CG1 VAL A 80 7.538 19.330 -7.804 1.00 0.00 C ATOM 1322 CG2 VAL A 80 8.899 19.994 -5.806 1.00 0.00 C ATOM 0 H VAL A 80 5.898 17.491 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 80 7.390 18.241 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 80 8.617 17.983 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.394 19.592 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.986 18.514 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.886 20.197 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.695 20.256 -6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.286 20.873 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.336 19.639 -4.873 1.00 0.00 H new ATOM 1332 N LYS A 81 6.010 20.327 -4.072 1.00 0.00 N ATOM 1333 CA LYS A 81 5.099 21.410 -3.721 1.00 0.00 C ATOM 1334 C LYS A 81 5.754 22.345 -2.706 1.00 0.00 C ATOM 1335 O LYS A 81 5.717 23.564 -2.871 1.00 0.00 O ATOM 1336 CB LYS A 81 3.785 20.842 -3.159 1.00 0.00 C ATOM 1337 CG LYS A 81 2.709 21.935 -3.074 1.00 0.00 C ATOM 1338 CD LYS A 81 1.429 21.446 -2.380 1.00 0.00 C ATOM 1339 CE LYS A 81 1.616 21.123 -0.890 1.00 0.00 C ATOM 1340 NZ LYS A 81 2.182 22.256 -0.133 1.00 0.00 N ATOM 0 H LYS A 81 6.744 20.163 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 81 4.872 21.981 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.434 20.029 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.960 20.420 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.108 22.792 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.465 22.279 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.657 22.209 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.067 20.555 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.654 20.846 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.272 20.258 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.147 22.045 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.170 22.408 -0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.629 23.115 -0.328 1.00 0.00 H new ATOM 1354 N SER A 82 6.308 21.788 -1.627 1.00 0.00 N ATOM 1355 CA SER A 82 6.940 22.564 -0.578 1.00 0.00 C ATOM 1356 C SER A 82 7.970 21.675 0.105 1.00 0.00 C ATOM 1357 O SER A 82 9.139 22.096 0.237 1.00 0.00 O ATOM 1358 CB SER A 82 5.881 23.046 0.420 1.00 0.00 C ATOM 1359 OG SER A 82 4.790 23.649 -0.256 1.00 0.00 O ATOM 1360 OXT SER A 82 7.608 20.539 0.499 1.00 0.00 O ATOM 0 H SER A 82 6.327 20.781 -1.463 1.00 0.00 H new ATOM 0 HA SER A 82 7.433 23.445 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.526 22.205 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.326 23.761 1.112 1.00 0.00 H new ATOM 0 HG SER A 82 4.125 23.948 0.398 1.00 0.00 H new TER 1366 SER A 82