USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 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+ 174:sc= 0.316 (180deg=0) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.0867 K(o=0.4,f=-3.8!) USER MOD Set 2.1: A 22 CYS SG : rot -94:sc= 0.639 USER MOD Set 2.2: A 43 ASN : amide:sc= 1.25 K(o=1.9,f=-0.17) USER MOD Set 3.1: A 3 ASN : amide:sc= 0.391 K(o=0.9,f=-0.5) USER MOD Set 3.2: A 5 LYS NZ :NH3+ 158:sc= 0.509 (180deg=0) USER MOD Single : A 1 MET CE :methyl 137:sc= -1.17 (180deg=-4.65!) USER MOD Single : A 4 MET CE :methyl -106:sc= -0.923 (180deg=-5.22!) USER MOD Single : A 9 SER OG : rot 46:sc= -0.187 USER MOD Single : A -1 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=-0.069) USER MOD Single : A -2 GLY N :NH3+ -138:sc= 0.14 (180deg=0) USER MOD Single : A 10 MET CE :methyl 169:sc= -0.394 (180deg=-0.854) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -172:sc= 1.26 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0497 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0926 (180deg=-0.416) USER MOD Single : A 24 TYR OH : rot 120:sc= 0.923 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0112 F(o=-0.82,f=-0.011) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.666) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 87:sc= 0.878 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc=-0.000542 X(o=-0.00054,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -140:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= 1.22 (180deg=-0.688) USER MOD Single : A 63 ASN : amide:sc= -0.0038 X(o=-0.0038,f=-0.065) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 176:sc= 0.453 USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= 0.71 (180deg=-0.129) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 170:sc= 0.0163 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=-0.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.435 K(o=0.44,f=-6.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -131:sc= -0.283 (180deg=-1.69!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 20.648 -0.055 10.585 1.00 0.00 N ATOM 2 CA GLY A -2 19.892 0.616 9.523 1.00 0.00 C ATOM 3 C GLY A -2 19.235 -0.420 8.632 1.00 0.00 C ATOM 4 O GLY A -2 19.107 -1.580 9.030 1.00 0.00 O ATOM 0 H1 GLY A -2 20.496 0.441 11.486 1.00 0.00 H new ATOM 0 H2 GLY A -2 20.324 -1.039 10.673 1.00 0.00 H new ATOM 0 H3 GLY A -2 21.661 -0.044 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A -2 19.135 1.268 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.556 1.248 8.934 1.00 0.00 H new ATOM 8 N HIS A -1 18.864 -0.016 7.416 1.00 0.00 N ATOM 9 CA HIS A -1 18.090 -0.786 6.446 1.00 0.00 C ATOM 10 C HIS A -1 16.740 -1.272 6.992 1.00 0.00 C ATOM 11 O HIS A -1 16.445 -1.199 8.184 1.00 0.00 O ATOM 12 CB HIS A -1 18.934 -1.921 5.834 1.00 0.00 C ATOM 13 CG HIS A -1 19.774 -1.497 4.657 1.00 0.00 C ATOM 14 ND1 HIS A -1 20.380 -0.274 4.470 1.00 0.00 N ATOM 15 CD2 HIS A -1 19.975 -2.237 3.524 1.00 0.00 C ATOM 16 CE1 HIS A -1 20.907 -0.269 3.235 1.00 0.00 C ATOM 17 NE2 HIS A -1 20.680 -1.441 2.617 1.00 0.00 N ATOM 0 H HIS A -1 19.110 0.909 7.064 1.00 0.00 H new ATOM 0 HA HIS A -1 17.832 -0.103 5.637 1.00 0.00 H new ATOM 0 HB2 HIS A -1 19.588 -2.329 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A -1 18.269 -2.726 5.521 1.00 0.00 H new ATOM 0 HD2 HIS A -1 19.648 -3.253 3.360 1.00 0.00 H new ATOM 0 HE1 HIS A -1 21.440 0.562 2.798 1.00 0.00 H new ATOM 0 HE2 HIS A -1 20.966 -1.699 1.672 1.00 0.00 H new ATOM 25 N MET A 1 15.902 -1.776 6.084 1.00 0.00 N ATOM 26 CA MET A 1 14.544 -2.203 6.377 1.00 0.00 C ATOM 27 C MET A 1 14.424 -3.672 6.024 1.00 0.00 C ATOM 28 O MET A 1 14.705 -4.034 4.881 1.00 0.00 O ATOM 29 CB MET A 1 13.545 -1.397 5.546 1.00 0.00 C ATOM 30 CG MET A 1 12.115 -1.791 5.926 1.00 0.00 C ATOM 31 SD MET A 1 11.708 -1.476 7.669 1.00 0.00 S ATOM 32 CE MET A 1 10.518 -2.790 8.021 1.00 0.00 C ATOM 0 H MET A 1 16.160 -1.899 5.105 1.00 0.00 H new ATOM 0 HA MET A 1 14.326 -2.043 7.433 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.695 -0.331 5.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.712 -1.578 4.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.417 -1.242 5.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.971 -2.851 5.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.735 -3.226 8.996 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.510 -2.376 8.025 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.590 -3.561 7.254 1.00 0.00 H new ATOM 42 N ILE A 2 13.952 -4.492 6.957 1.00 0.00 N ATOM 43 CA ILE A 2 13.737 -5.914 6.740 1.00 0.00 C ATOM 44 C ILE A 2 12.262 -6.213 7.018 1.00 0.00 C ATOM 45 O ILE A 2 11.659 -5.601 7.898 1.00 0.00 O ATOM 46 CB ILE A 2 14.693 -6.742 7.632 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.173 -6.305 7.500 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.553 -8.224 7.248 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.108 -7.018 8.485 1.00 0.00 C ATOM 0 H ILE A 2 13.705 -4.181 7.897 1.00 0.00 H new ATOM 0 HA ILE A 2 13.962 -6.195 5.711 1.00 0.00 H new ATOM 0 HB ILE A 2 14.411 -6.574 8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.512 -6.499 6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.242 -5.229 7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.220 -8.825 7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.524 -8.545 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.816 -8.354 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.129 -6.665 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.793 -6.803 9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.068 -8.093 8.312 1.00 0.00 H new ATOM 61 N ASN A 3 11.686 -7.195 6.318 1.00 0.00 N ATOM 62 CA ASN A 3 10.352 -7.749 6.551 1.00 0.00 C ATOM 63 C ASN A 3 9.230 -6.701 6.458 1.00 0.00 C ATOM 64 O ASN A 3 8.155 -6.877 7.035 1.00 0.00 O ATOM 65 CB ASN A 3 10.355 -8.543 7.873 1.00 0.00 C ATOM 66 CG ASN A 3 9.201 -9.530 7.982 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.146 -9.239 8.548 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.385 -10.738 7.490 1.00 0.00 N ATOM 0 H ASN A 3 12.162 -7.646 5.536 1.00 0.00 H new ATOM 0 HA ASN A 3 10.118 -8.441 5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.297 -9.084 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.308 -7.845 8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.651 -11.441 7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.261 -10.970 7.023 1.00 0.00 H new ATOM 75 N MET A 4 9.455 -5.590 5.751 1.00 0.00 N ATOM 76 CA MET A 4 8.418 -4.599 5.492 1.00 0.00 C ATOM 77 C MET A 4 7.411 -5.235 4.554 1.00 0.00 C ATOM 78 O MET A 4 7.796 -5.987 3.652 1.00 0.00 O ATOM 79 CB MET A 4 9.042 -3.388 4.797 1.00 0.00 C ATOM 80 CG MET A 4 8.152 -2.173 4.547 1.00 0.00 C ATOM 81 SD MET A 4 7.796 -1.151 6.002 1.00 0.00 S ATOM 82 CE MET A 4 8.875 0.308 5.755 1.00 0.00 C ATOM 0 H MET A 4 10.361 -5.357 5.345 1.00 0.00 H new ATOM 0 HA MET A 4 7.946 -4.280 6.421 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.894 -3.062 5.394 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.434 -3.719 3.835 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.627 -1.546 3.792 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.207 -2.517 4.127 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.719 0.257 6.443 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.243 0.319 4.729 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.306 1.218 5.946 1.00 0.00 H new ATOM 92 N LYS A 5 6.143 -4.863 4.699 1.00 0.00 N ATOM 93 CA LYS A 5 5.120 -5.149 3.715 1.00 0.00 C ATOM 94 C LYS A 5 4.297 -3.912 3.474 1.00 0.00 C ATOM 95 O LYS A 5 3.949 -3.211 4.422 1.00 0.00 O ATOM 96 CB LYS A 5 4.214 -6.280 4.188 1.00 0.00 C ATOM 97 CG LYS A 5 4.903 -7.622 4.112 1.00 0.00 C ATOM 98 CD LYS A 5 5.150 -8.148 5.534 1.00 0.00 C ATOM 99 CE LYS A 5 6.011 -9.377 5.390 1.00 0.00 C ATOM 100 NZ LYS A 5 6.021 -10.212 6.608 1.00 0.00 N ATOM 0 H LYS A 5 5.800 -4.351 5.512 1.00 0.00 H new ATOM 0 HA LYS A 5 5.605 -5.459 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.902 -6.090 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.311 -6.301 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.289 -8.328 3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.848 -7.528 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.647 -7.395 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.209 -8.389 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.651 -9.971 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.031 -9.075 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.294 -11.184 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.704 -9.824 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.072 -10.217 7.033 1.00 0.00 H new ATOM 114 N VAL A 6 3.934 -3.695 2.221 1.00 0.00 N ATOM 115 CA VAL A 6 3.056 -2.618 1.817 1.00 0.00 C ATOM 116 C VAL A 6 2.123 -3.145 0.749 1.00 0.00 C ATOM 117 O VAL A 6 2.583 -3.874 -0.120 1.00 0.00 O ATOM 118 CB VAL A 6 3.893 -1.429 1.317 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.067 -0.361 0.595 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.610 -0.766 2.483 1.00 0.00 C ATOM 0 H VAL A 6 4.249 -4.276 1.444 1.00 0.00 H new ATOM 0 HA VAL A 6 2.459 -2.261 2.657 1.00 0.00 H new ATOM 0 HB VAL A 6 4.601 -1.845 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.722 0.447 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.579 -0.804 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.311 0.035 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.200 0.075 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.876 -0.408 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.269 -1.489 2.964 1.00 0.00 H new ATOM 130 N ALA A 7 0.850 -2.746 0.775 1.00 0.00 N ATOM 131 CA ALA A 7 -0.094 -2.995 -0.309 1.00 0.00 C ATOM 132 C ALA A 7 -0.303 -1.702 -1.112 1.00 0.00 C ATOM 133 O ALA A 7 -0.918 -0.763 -0.594 1.00 0.00 O ATOM 134 CB ALA A 7 -1.407 -3.528 0.282 1.00 0.00 C ATOM 0 H ALA A 7 0.444 -2.236 1.559 1.00 0.00 H new ATOM 0 HA ALA A 7 0.296 -3.748 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.118 -3.717 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.214 -4.456 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.823 -2.790 0.968 1.00 0.00 H new ATOM 140 N ILE A 8 0.191 -1.635 -2.355 1.00 0.00 N ATOM 141 CA ILE A 8 -0.032 -0.505 -3.262 1.00 0.00 C ATOM 142 C ILE A 8 -1.227 -0.859 -4.144 1.00 0.00 C ATOM 143 O ILE A 8 -1.207 -1.894 -4.815 1.00 0.00 O ATOM 144 CB ILE A 8 1.223 -0.226 -4.124 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.448 0.011 -3.216 1.00 0.00 C ATOM 146 CG2 ILE A 8 0.989 0.983 -5.056 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.739 0.365 -3.956 1.00 0.00 C ATOM 0 H ILE A 8 0.764 -2.374 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.231 0.403 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 8 1.417 -1.098 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.214 0.815 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.621 -0.887 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.884 1.161 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.148 0.775 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.770 1.867 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.543 0.513 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.004 -0.446 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.591 1.281 -4.528 1.00 0.00 H new ATOM 159 N SER A 9 -2.260 -0.024 -4.161 1.00 0.00 N ATOM 160 CA SER A 9 -3.451 -0.301 -4.958 1.00 0.00 C ATOM 161 C SER A 9 -3.201 0.098 -6.414 1.00 0.00 C ATOM 162 O SER A 9 -3.058 1.291 -6.695 1.00 0.00 O ATOM 163 CB SER A 9 -4.634 0.446 -4.351 1.00 0.00 C ATOM 164 OG SER A 9 -4.307 1.798 -4.106 1.00 0.00 O ATOM 0 H SER A 9 -2.298 0.848 -3.634 1.00 0.00 H new ATOM 0 HA SER A 9 -3.682 -1.366 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.488 0.391 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.933 -0.034 -3.419 1.00 0.00 H new ATOM 0 HG SER A 9 -3.845 2.170 -4.887 1.00 0.00 H new ATOM 170 N MET A 10 -3.134 -0.862 -7.336 1.00 0.00 N ATOM 171 CA MET A 10 -2.800 -0.630 -8.738 1.00 0.00 C ATOM 172 C MET A 10 -4.016 -0.812 -9.636 1.00 0.00 C ATOM 173 O MET A 10 -4.967 -1.499 -9.277 1.00 0.00 O ATOM 174 CB MET A 10 -1.708 -1.595 -9.204 1.00 0.00 C ATOM 175 CG MET A 10 -0.463 -1.589 -8.309 1.00 0.00 C ATOM 176 SD MET A 10 1.131 -1.972 -9.092 1.00 0.00 S ATOM 177 CE MET A 10 1.227 -0.677 -10.345 1.00 0.00 C ATOM 0 H MET A 10 -3.315 -1.843 -7.123 1.00 0.00 H new ATOM 0 HA MET A 10 -2.445 0.398 -8.813 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.117 -2.605 -9.237 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.415 -1.336 -10.222 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.384 -0.604 -7.848 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.624 -2.306 -7.504 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.229 -0.659 -10.774 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.499 -0.877 -11.131 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.011 0.289 -9.888 1.00 0.00 H new ATOM 187 N ASP A 11 -3.956 -0.208 -10.816 1.00 0.00 N ATOM 188 CA ASP A 11 -5.002 -0.136 -11.842 1.00 0.00 C ATOM 189 C ASP A 11 -4.614 -1.016 -13.008 1.00 0.00 C ATOM 190 O ASP A 11 -5.368 -1.889 -13.412 1.00 0.00 O ATOM 191 CB ASP A 11 -5.012 1.324 -12.323 1.00 0.00 C ATOM 192 CG ASP A 11 -6.204 1.708 -13.192 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.359 1.675 -12.705 1.00 0.00 O ATOM 194 OD2 ASP A 11 -5.966 2.186 -14.319 1.00 0.00 O ATOM 0 H ASP A 11 -3.112 0.284 -11.108 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.970 -0.456 -11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.991 1.978 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.097 1.512 -12.884 1.00 0.00 H new ATOM 199 N VAL A 12 -3.413 -0.812 -13.537 1.00 0.00 N ATOM 200 CA VAL A 12 -2.872 -1.633 -14.595 1.00 0.00 C ATOM 201 C VAL A 12 -1.378 -1.625 -14.292 1.00 0.00 C ATOM 202 O VAL A 12 -0.854 -2.513 -13.613 1.00 0.00 O ATOM 203 CB VAL A 12 -3.265 -1.061 -15.985 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.870 -2.024 -17.102 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.745 -0.710 -16.187 1.00 0.00 C ATOM 0 H VAL A 12 -2.788 -0.064 -13.236 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.254 -2.653 -14.635 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.713 -0.122 -16.023 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.156 -1.601 -18.065 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.792 -2.183 -17.081 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.380 -2.977 -16.959 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.892 -0.321 -17.195 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.353 -1.604 -16.051 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.042 0.045 -15.460 1.00 0.00 H new ATOM 215 N ASP A 13 -0.723 -0.529 -14.676 1.00 0.00 N ATOM 216 CA ASP A 13 0.722 -0.389 -14.641 1.00 0.00 C ATOM 217 C ASP A 13 1.177 0.607 -13.567 1.00 0.00 C ATOM 218 O ASP A 13 2.376 0.809 -13.379 1.00 0.00 O ATOM 219 CB ASP A 13 1.228 0.024 -16.037 1.00 0.00 C ATOM 220 CG ASP A 13 1.453 -1.163 -16.963 1.00 0.00 C ATOM 221 OD1 ASP A 13 0.504 -1.553 -17.679 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.579 -1.695 -17.021 1.00 0.00 O ATOM 0 H ASP A 13 -1.199 0.302 -15.027 1.00 0.00 H new ATOM 0 HA ASP A 13 1.156 -1.352 -14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.507 0.702 -16.493 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.161 0.577 -15.930 1.00 0.00 H new ATOM 227 N LYS A 14 0.232 1.251 -12.873 1.00 0.00 N ATOM 228 CA LYS A 14 0.440 2.387 -11.973 1.00 0.00 C ATOM 229 C LYS A 14 -0.576 2.372 -10.829 1.00 0.00 C ATOM 230 O LYS A 14 -1.503 1.553 -10.841 1.00 0.00 O ATOM 231 CB LYS A 14 0.364 3.707 -12.765 1.00 0.00 C ATOM 232 CG LYS A 14 -0.712 3.736 -13.875 1.00 0.00 C ATOM 233 CD LYS A 14 -0.121 3.601 -15.275 1.00 0.00 C ATOM 234 CE LYS A 14 0.740 4.833 -15.569 1.00 0.00 C ATOM 235 NZ LYS A 14 0.532 5.324 -16.938 1.00 0.00 N ATOM 0 H LYS A 14 -0.749 0.978 -12.928 1.00 0.00 H new ATOM 0 HA LYS A 14 1.433 2.305 -11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.169 4.522 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.337 3.900 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.423 2.927 -13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.270 4.670 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.481 2.695 -15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.917 3.512 -16.014 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.500 5.623 -14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.792 4.585 -15.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.131 6.158 -17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.785 4.578 -17.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.467 5.584 -17.066 1.00 0.00 H new ATOM 249 N ILE A 15 -0.379 3.253 -9.840 1.00 0.00 N ATOM 250 CA ILE A 15 -1.215 3.401 -8.648 1.00 0.00 C ATOM 251 C ILE A 15 -2.597 3.876 -9.116 1.00 0.00 C ATOM 252 O ILE A 15 -2.666 4.909 -9.784 1.00 0.00 O ATOM 253 CB ILE A 15 -0.574 4.422 -7.661 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.921 4.118 -7.392 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.356 4.454 -6.333 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.638 5.108 -6.464 1.00 0.00 C ATOM 0 H ILE A 15 0.402 3.909 -9.852 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.305 2.454 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.629 5.402 -8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.999 3.120 -6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.447 4.095 -8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.894 5.173 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.388 4.748 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.340 3.464 -5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.678 4.804 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.600 6.107 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.146 5.117 -5.491 1.00 0.00 H new ATOM 268 N SER A 16 -3.679 3.163 -8.782 1.00 0.00 N ATOM 269 CA SER A 16 -5.026 3.583 -9.168 1.00 0.00 C ATOM 270 C SER A 16 -5.426 4.881 -8.461 1.00 0.00 C ATOM 271 O SER A 16 -4.744 5.357 -7.550 1.00 0.00 O ATOM 272 CB SER A 16 -6.066 2.477 -8.924 1.00 0.00 C ATOM 273 OG SER A 16 -7.208 2.754 -9.713 1.00 0.00 O ATOM 0 H SER A 16 -3.646 2.295 -8.247 1.00 0.00 H new ATOM 0 HA SER A 16 -5.006 3.776 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.652 1.503 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.335 2.436 -7.869 1.00 0.00 H new ATOM 0 HG SER A 16 -7.927 2.132 -9.477 1.00 0.00 H new ATOM 279 N ASN A 17 -6.575 5.429 -8.847 1.00 0.00 N ATOM 280 CA ASN A 17 -7.098 6.676 -8.298 1.00 0.00 C ATOM 281 C ASN A 17 -7.505 6.523 -6.832 1.00 0.00 C ATOM 282 O ASN A 17 -7.441 7.490 -6.079 1.00 0.00 O ATOM 283 CB ASN A 17 -8.292 7.164 -9.125 1.00 0.00 C ATOM 284 CG ASN A 17 -8.265 8.679 -9.279 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.530 9.207 -10.107 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.021 9.435 -8.502 1.00 0.00 N ATOM 0 H ASN A 17 -7.176 5.014 -9.559 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.299 7.416 -8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.274 6.694 -10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.221 6.860 -8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.991 10.450 -8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.635 9.003 -7.811 1.00 0.00 H new ATOM 293 N SER A 18 -7.889 5.318 -6.397 1.00 0.00 N ATOM 294 CA SER A 18 -8.119 5.026 -4.991 1.00 0.00 C ATOM 295 C SER A 18 -7.759 3.569 -4.683 1.00 0.00 C ATOM 296 O SER A 18 -7.319 2.824 -5.566 1.00 0.00 O ATOM 297 CB SER A 18 -9.552 5.425 -4.594 1.00 0.00 C ATOM 298 OG SER A 18 -10.508 4.885 -5.475 1.00 0.00 O ATOM 0 H SER A 18 -8.047 4.522 -7.015 1.00 0.00 H new ATOM 0 HA SER A 18 -7.459 5.629 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.757 5.082 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.638 6.512 -4.586 1.00 0.00 H new ATOM 0 HG SER A 18 -11.405 5.158 -5.191 1.00 0.00 H new ATOM 304 N PHE A 19 -7.870 3.186 -3.411 1.00 0.00 N ATOM 305 CA PHE A 19 -7.694 1.835 -2.904 1.00 0.00 C ATOM 306 C PHE A 19 -8.836 0.934 -3.373 1.00 0.00 C ATOM 307 O PHE A 19 -8.645 -0.253 -3.618 1.00 0.00 O ATOM 308 CB PHE A 19 -7.670 1.894 -1.367 1.00 0.00 C ATOM 309 CG PHE A 19 -7.517 0.544 -0.686 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.662 -0.225 -0.400 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.245 0.052 -0.324 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.542 -1.477 0.224 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.125 -1.206 0.299 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.273 -1.972 0.571 1.00 0.00 C ATOM 0 H PHE A 19 -8.098 3.850 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.759 1.420 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.850 2.540 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.592 2.359 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.640 0.151 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.362 0.641 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.426 -2.060 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.149 -1.583 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.180 -2.938 1.045 1.00 0.00 H new ATOM 324 N GLU A 20 -10.049 1.483 -3.429 1.00 0.00 N ATOM 325 CA GLU A 20 -11.266 0.718 -3.639 1.00 0.00 C ATOM 326 C GLU A 20 -11.536 0.581 -5.145 1.00 0.00 C ATOM 327 O GLU A 20 -11.833 -0.516 -5.608 1.00 0.00 O ATOM 328 CB GLU A 20 -12.354 1.404 -2.796 1.00 0.00 C ATOM 329 CG GLU A 20 -13.517 0.514 -2.328 1.00 0.00 C ATOM 330 CD GLU A 20 -14.804 0.571 -3.152 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.093 1.610 -3.782 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.579 -0.412 -3.046 1.00 0.00 O ATOM 0 H GLU A 20 -10.210 2.485 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.213 -0.317 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.881 1.839 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.767 2.229 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.169 -0.519 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.759 0.784 -1.300 1.00 0.00 H new ATOM 339 N ASP A 21 -11.287 1.643 -5.920 1.00 0.00 N ATOM 340 CA ASP A 21 -11.343 1.717 -7.391 1.00 0.00 C ATOM 341 C ASP A 21 -10.045 1.186 -8.027 1.00 0.00 C ATOM 342 O ASP A 21 -9.553 1.704 -9.036 1.00 0.00 O ATOM 343 CB ASP A 21 -11.576 3.189 -7.775 1.00 0.00 C ATOM 344 CG ASP A 21 -12.320 3.428 -9.087 1.00 0.00 C ATOM 345 OD1 ASP A 21 -11.728 3.344 -10.185 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.447 3.965 -8.993 1.00 0.00 O ATOM 0 H ASP A 21 -11.022 2.539 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.155 1.092 -7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.134 3.670 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.608 3.686 -7.833 1.00 0.00 H new ATOM 351 N CYS A 22 -9.384 0.219 -7.383 1.00 0.00 N ATOM 352 CA CYS A 22 -8.203 -0.424 -7.943 1.00 0.00 C ATOM 353 C CYS A 22 -8.557 -1.763 -8.579 1.00 0.00 C ATOM 354 O CYS A 22 -9.677 -2.258 -8.479 1.00 0.00 O ATOM 355 CB CYS A 22 -7.078 -0.498 -6.905 1.00 0.00 C ATOM 356 SG CYS A 22 -7.217 -1.901 -5.771 1.00 0.00 S ATOM 0 H CYS A 22 -9.654 -0.134 -6.465 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.813 0.188 -8.756 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.121 -0.557 -7.424 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -7.070 0.425 -6.326 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.834 -1.526 -4.690 1.00 0.00 H new ATOM 362 N LYS A 23 -7.576 -2.348 -9.249 1.00 0.00 N ATOM 363 CA LYS A 23 -7.661 -3.630 -9.923 1.00 0.00 C ATOM 364 C LYS A 23 -6.959 -4.699 -9.101 1.00 0.00 C ATOM 365 O LYS A 23 -7.367 -5.861 -9.164 1.00 0.00 O ATOM 366 CB LYS A 23 -7.040 -3.488 -11.321 1.00 0.00 C ATOM 367 CG LYS A 23 -8.039 -2.971 -12.366 1.00 0.00 C ATOM 368 CD LYS A 23 -8.754 -1.629 -12.154 1.00 0.00 C ATOM 369 CE LYS A 23 -9.827 -1.413 -13.230 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.897 -2.444 -13.217 1.00 0.00 N ATOM 0 H LYS A 23 -6.655 -1.919 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.701 -3.937 -10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.191 -2.807 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.654 -4.455 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.509 -2.908 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.810 -3.733 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.213 -1.607 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.029 -0.815 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.278 -0.431 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.351 -1.408 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.732 -2.084 -13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.554 -3.307 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.155 -2.664 -12.234 1.00 0.00 H new ATOM 384 N TYR A 24 -5.925 -4.338 -8.333 1.00 0.00 N ATOM 385 CA TYR A 24 -5.189 -5.269 -7.501 1.00 0.00 C ATOM 386 C TYR A 24 -4.287 -4.563 -6.502 1.00 0.00 C ATOM 387 O TYR A 24 -4.157 -3.342 -6.505 1.00 0.00 O ATOM 388 CB TYR A 24 -4.360 -6.204 -8.386 1.00 0.00 C ATOM 389 CG TYR A 24 -3.193 -5.598 -9.112 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.394 -4.961 -10.347 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.899 -5.763 -8.594 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.284 -4.501 -11.075 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.792 -5.240 -9.258 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.973 -4.613 -10.528 1.00 0.00 C ATOM 395 OH TYR A 24 0.090 -4.155 -11.258 1.00 0.00 O ATOM 0 H TYR A 24 -5.580 -3.380 -8.278 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.916 -5.844 -6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.987 -7.017 -7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.026 -6.649 -9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.393 -4.826 -10.734 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.760 -6.302 -7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.425 -4.061 -12.051 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.192 -5.308 -8.817 1.00 0.00 H new ATOM 0 HH TYR A 24 0.556 -3.456 -10.754 1.00 0.00 H new ATOM 405 N PHE A 25 -3.636 -5.367 -5.670 1.00 0.00 N ATOM 406 CA PHE A 25 -2.895 -4.969 -4.502 1.00 0.00 C ATOM 407 C PHE A 25 -1.484 -5.500 -4.661 1.00 0.00 C ATOM 408 O PHE A 25 -1.239 -6.707 -4.544 1.00 0.00 O ATOM 409 CB PHE A 25 -3.597 -5.550 -3.279 1.00 0.00 C ATOM 410 CG PHE A 25 -5.064 -5.185 -3.176 1.00 0.00 C ATOM 411 CD1 PHE A 25 -5.466 -3.844 -3.080 1.00 0.00 C ATOM 412 CD2 PHE A 25 -6.029 -6.204 -3.116 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.809 -3.541 -2.765 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.357 -5.910 -2.794 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.742 -4.582 -2.553 1.00 0.00 C ATOM 0 H PHE A 25 -3.617 -6.377 -5.811 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.847 -3.887 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.505 -6.636 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.084 -5.205 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.754 -3.049 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.742 -7.225 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.124 -2.511 -2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.086 -6.704 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.741 -4.358 -2.209 1.00 0.00 H new ATOM 425 N LEU A 26 -0.573 -4.608 -5.027 1.00 0.00 N ATOM 426 CA LEU A 26 0.821 -4.945 -5.234 1.00 0.00 C ATOM 427 C LEU A 26 1.488 -4.958 -3.856 1.00 0.00 C ATOM 428 O LEU A 26 1.710 -3.907 -3.257 1.00 0.00 O ATOM 429 CB LEU A 26 1.475 -3.993 -6.245 1.00 0.00 C ATOM 430 CG LEU A 26 2.762 -4.484 -6.929 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.807 -5.025 -5.973 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.595 -5.622 -7.946 1.00 0.00 C ATOM 0 H LEU A 26 -0.787 -3.624 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 26 0.938 -5.931 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.743 -3.767 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.698 -3.056 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 26 3.066 -3.559 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.682 -5.350 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.097 -4.244 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.394 -5.871 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.568 -5.884 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.166 -6.493 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.932 -5.298 -8.748 1.00 0.00 H new ATOM 444 N ILE A 27 1.735 -6.152 -3.317 1.00 0.00 N ATOM 445 CA ILE A 27 2.378 -6.403 -2.041 1.00 0.00 C ATOM 446 C ILE A 27 3.885 -6.218 -2.202 1.00 0.00 C ATOM 447 O ILE A 27 4.609 -7.127 -2.618 1.00 0.00 O ATOM 448 CB ILE A 27 2.010 -7.774 -1.438 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.502 -8.098 -1.546 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.505 -7.809 0.016 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.439 -7.083 -0.877 1.00 0.00 C ATOM 0 H ILE A 27 1.474 -7.016 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 27 2.006 -5.678 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 27 2.503 -8.555 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.238 -8.172 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.326 -9.078 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.255 -8.771 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.586 -7.670 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.026 -7.011 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.473 -7.403 -1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.212 -7.023 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.301 -6.103 -1.333 1.00 0.00 H new ATOM 463 N VAL A 28 4.377 -5.034 -1.878 1.00 0.00 N ATOM 464 CA VAL A 28 5.792 -4.749 -1.788 1.00 0.00 C ATOM 465 C VAL A 28 6.322 -5.350 -0.482 1.00 0.00 C ATOM 466 O VAL A 28 6.270 -4.721 0.574 1.00 0.00 O ATOM 467 CB VAL A 28 6.037 -3.235 -1.920 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.523 -2.981 -2.145 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.281 -2.600 -3.092 1.00 0.00 C ATOM 0 H VAL A 28 3.787 -4.229 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 28 6.343 -5.208 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 28 5.676 -2.785 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.699 -1.909 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.091 -3.369 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.844 -3.483 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.497 -1.532 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.598 -3.067 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.210 -2.749 -2.957 1.00 0.00 H new ATOM 479 N ARG A 29 6.821 -6.590 -0.534 1.00 0.00 N ATOM 480 CA ARG A 29 7.787 -7.062 0.455 1.00 0.00 C ATOM 481 C ARG A 29 9.118 -6.366 0.149 1.00 0.00 C ATOM 482 O ARG A 29 9.668 -6.590 -0.935 1.00 0.00 O ATOM 483 CB ARG A 29 7.918 -8.599 0.434 1.00 0.00 C ATOM 484 CG ARG A 29 6.947 -9.297 1.403 1.00 0.00 C ATOM 485 CD ARG A 29 7.273 -10.794 1.494 1.00 0.00 C ATOM 486 NE ARG A 29 6.222 -11.588 2.167 1.00 0.00 N ATOM 487 CZ ARG A 29 6.341 -12.892 2.470 1.00 0.00 C ATOM 488 NH1 ARG A 29 7.506 -13.518 2.300 1.00 0.00 N ATOM 489 NH2 ARG A 29 5.291 -13.581 2.906 1.00 0.00 N ATOM 0 H ARG A 29 6.572 -7.277 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 29 7.456 -6.814 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.735 -8.960 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.941 -8.875 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.017 -8.841 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.921 -9.161 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.425 -11.186 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.213 -10.921 2.031 1.00 0.00 H new ATOM 0 HE ARG A 29 5.353 -11.116 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.312 -13.007 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.592 -14.508 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.387 -13.120 3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.389 -14.570 3.134 1.00 0.00 H new ATOM 503 N ILE A 30 9.605 -5.533 1.069 1.00 0.00 N ATOM 504 CA ILE A 30 10.972 -5.008 1.096 1.00 0.00 C ATOM 505 C ILE A 30 11.661 -5.774 2.219 1.00 0.00 C ATOM 506 O ILE A 30 11.106 -5.891 3.313 1.00 0.00 O ATOM 507 CB ILE A 30 10.982 -3.473 1.323 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.577 -2.693 0.058 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.300 -2.911 1.887 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.593 -1.566 0.401 1.00 0.00 C ATOM 0 H ILE A 30 9.038 -5.192 1.845 1.00 0.00 H new ATOM 0 HA ILE A 30 11.492 -5.148 0.149 1.00 0.00 H new ATOM 0 HB ILE A 30 10.228 -3.322 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.465 -2.274 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.121 -3.372 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.212 -1.832 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.508 -3.372 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.114 -3.131 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.322 -1.030 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.696 -1.991 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.061 -0.876 1.103 1.00 0.00 H new ATOM 522 N ASP A 31 12.856 -6.302 1.953 1.00 0.00 N ATOM 523 CA ASP A 31 13.571 -7.153 2.913 1.00 0.00 C ATOM 524 C ASP A 31 15.038 -6.757 3.068 1.00 0.00 C ATOM 525 O ASP A 31 15.774 -7.439 3.776 1.00 0.00 O ATOM 526 CB ASP A 31 13.438 -8.635 2.524 1.00 0.00 C ATOM 527 CG ASP A 31 13.346 -9.558 3.744 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.481 -9.331 4.616 1.00 0.00 O ATOM 529 OD2 ASP A 31 14.048 -10.601 3.760 1.00 0.00 O ATOM 0 H ASP A 31 13.355 -6.156 1.075 1.00 0.00 H new ATOM 0 HA ASP A 31 13.103 -7.002 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.550 -8.766 1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.295 -8.926 1.917 1.00 0.00 H new ATOM 534 N ASP A 32 15.474 -5.686 2.391 1.00 0.00 N ATOM 535 CA ASP A 32 16.808 -5.110 2.585 1.00 0.00 C ATOM 536 C ASP A 32 16.851 -3.645 2.168 1.00 0.00 C ATOM 537 O ASP A 32 17.741 -3.209 1.443 1.00 0.00 O ATOM 538 CB ASP A 32 17.855 -5.923 1.804 1.00 0.00 C ATOM 539 CG ASP A 32 19.266 -5.697 2.342 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.453 -5.995 3.545 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.174 -5.335 1.561 1.00 0.00 O ATOM 0 H ASP A 32 14.912 -5.197 1.695 1.00 0.00 H new ATOM 0 HA ASP A 32 17.042 -5.157 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.609 -6.983 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.819 -5.645 0.751 1.00 0.00 H new ATOM 546 N ASN A 33 15.833 -2.875 2.563 1.00 0.00 N ATOM 547 CA ASN A 33 15.634 -1.486 2.124 1.00 0.00 C ATOM 548 C ASN A 33 15.434 -1.370 0.601 1.00 0.00 C ATOM 549 O ASN A 33 15.360 -0.256 0.091 1.00 0.00 O ATOM 550 CB ASN A 33 16.800 -0.613 2.627 1.00 0.00 C ATOM 551 CG ASN A 33 16.431 0.787 3.072 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.661 0.899 4.138 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 16.924 1.777 2.544 1.00 0.00 N flip ATOM 0 H ASN A 33 15.112 -3.202 3.206 1.00 0.00 H new ATOM 0 HA ASN A 33 14.708 -1.118 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.278 -1.125 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.542 -0.538 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.517 1.674 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.741 2.704 2.928 1.00 0.00 H new ATOM 560 N GLU A 34 15.295 -2.501 -0.103 1.00 0.00 N ATOM 561 CA GLU A 34 15.020 -2.617 -1.527 1.00 0.00 C ATOM 562 C GLU A 34 13.918 -3.654 -1.798 1.00 0.00 C ATOM 563 O GLU A 34 13.610 -4.496 -0.940 1.00 0.00 O ATOM 564 CB GLU A 34 16.295 -2.981 -2.304 1.00 0.00 C ATOM 565 CG GLU A 34 16.894 -4.368 -1.974 1.00 0.00 C ATOM 566 CD GLU A 34 17.686 -4.976 -3.138 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.242 -4.219 -3.958 1.00 0.00 O ATOM 568 OE2 GLU A 34 17.741 -6.231 -3.229 1.00 0.00 O ATOM 0 H GLU A 34 15.378 -3.414 0.343 1.00 0.00 H new ATOM 0 HA GLU A 34 14.668 -1.646 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.074 -2.943 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.051 -2.221 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.548 -4.277 -1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.088 -5.048 -1.697 1.00 0.00 H new ATOM 575 N VAL A 35 13.386 -3.615 -3.023 1.00 0.00 N ATOM 576 CA VAL A 35 12.471 -4.582 -3.614 1.00 0.00 C ATOM 577 C VAL A 35 13.153 -5.949 -3.699 1.00 0.00 C ATOM 578 O VAL A 35 14.244 -6.073 -4.259 1.00 0.00 O ATOM 579 CB VAL A 35 11.990 -4.082 -5.004 1.00 0.00 C ATOM 580 CG1 VAL A 35 13.102 -3.657 -5.977 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.059 -5.109 -5.674 1.00 0.00 C ATOM 0 H VAL A 35 13.601 -2.854 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 35 11.588 -4.689 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 35 11.440 -3.167 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.657 -3.326 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.676 -2.840 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.762 -4.503 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.739 -4.731 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.592 -6.050 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.186 -5.274 -5.043 1.00 0.00 H new ATOM 591 N LYS A 36 12.488 -6.997 -3.193 1.00 0.00 N ATOM 592 CA LYS A 36 12.921 -8.373 -3.449 1.00 0.00 C ATOM 593 C LYS A 36 12.063 -8.986 -4.559 1.00 0.00 C ATOM 594 O LYS A 36 12.430 -8.865 -5.724 1.00 0.00 O ATOM 595 CB LYS A 36 12.989 -9.183 -2.140 1.00 0.00 C ATOM 596 CG LYS A 36 13.963 -8.616 -1.082 1.00 0.00 C ATOM 597 CD LYS A 36 15.418 -8.458 -1.556 1.00 0.00 C ATOM 598 CE LYS A 36 16.330 -7.831 -0.493 1.00 0.00 C ATOM 599 NZ LYS A 36 17.731 -7.741 -0.968 1.00 0.00 N ATOM 0 H LYS A 36 11.655 -6.917 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 36 13.944 -8.390 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.990 -9.232 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.284 -10.205 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.595 -7.643 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.950 -9.270 -0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.812 -9.436 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.437 -7.840 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.965 -6.836 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.291 -8.426 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.368 -7.642 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.975 -8.604 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.834 -6.914 -1.590 1.00 0.00 H new ATOM 613 N SER A 37 10.897 -9.557 -4.229 1.00 0.00 N ATOM 614 CA SER A 37 10.058 -10.286 -5.192 1.00 0.00 C ATOM 615 C SER A 37 8.765 -9.557 -5.576 1.00 0.00 C ATOM 616 O SER A 37 8.136 -9.916 -6.572 1.00 0.00 O ATOM 617 CB SER A 37 9.743 -11.701 -4.661 1.00 0.00 C ATOM 618 OG SER A 37 10.552 -12.712 -5.248 1.00 0.00 O ATOM 0 H SER A 37 10.508 -9.527 -3.287 1.00 0.00 H new ATOM 0 HA SER A 37 10.643 -10.353 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.882 -11.716 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.694 -11.928 -4.851 1.00 0.00 H new ATOM 0 HG SER A 37 10.309 -13.584 -4.873 1.00 0.00 H new ATOM 624 N THR A 38 8.371 -8.535 -4.808 1.00 0.00 N ATOM 625 CA THR A 38 7.009 -7.960 -4.818 1.00 0.00 C ATOM 626 C THR A 38 5.908 -9.061 -4.812 1.00 0.00 C ATOM 627 O THR A 38 6.208 -10.217 -4.496 1.00 0.00 O ATOM 628 CB THR A 38 6.873 -6.887 -5.936 1.00 0.00 C ATOM 629 OG1 THR A 38 7.757 -7.055 -7.026 1.00 0.00 O ATOM 630 CG2 THR A 38 7.132 -5.483 -5.387 1.00 0.00 C ATOM 0 H THR A 38 8.996 -8.072 -4.148 1.00 0.00 H new ATOM 0 HA THR A 38 6.842 -7.424 -3.884 1.00 0.00 H new ATOM 0 HB THR A 38 5.850 -7.014 -6.291 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.606 -6.343 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.030 -4.754 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.410 -5.261 -4.601 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.141 -5.433 -4.977 1.00 0.00 H new ATOM 638 N LYS A 39 4.632 -8.727 -5.055 1.00 0.00 N ATOM 639 CA LYS A 39 3.528 -9.683 -5.259 1.00 0.00 C ATOM 640 C LYS A 39 2.293 -8.946 -5.738 1.00 0.00 C ATOM 641 O LYS A 39 2.122 -7.790 -5.414 1.00 0.00 O ATOM 642 CB LYS A 39 3.085 -10.296 -3.919 1.00 0.00 C ATOM 643 CG LYS A 39 3.062 -11.826 -3.866 1.00 0.00 C ATOM 644 CD LYS A 39 4.293 -12.403 -3.173 1.00 0.00 C ATOM 645 CE LYS A 39 5.309 -13.124 -4.060 1.00 0.00 C ATOM 646 NZ LYS A 39 5.043 -14.579 -4.180 1.00 0.00 N ATOM 0 H LYS A 39 4.328 -7.755 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 39 3.888 -10.432 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.751 -9.933 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.087 -9.927 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.165 -12.155 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.001 -12.221 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.807 -11.590 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.956 -13.101 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.299 -12.675 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.309 -12.975 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.763 -15.014 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.079 -15.017 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.101 -14.727 -4.595 1.00 0.00 H new ATOM 660 N VAL A 40 1.334 -9.661 -6.282 1.00 0.00 N ATOM 661 CA VAL A 40 -0.067 -9.324 -6.447 1.00 0.00 C ATOM 662 C VAL A 40 -1.152 -10.207 -5.765 1.00 0.00 C ATOM 663 O VAL A 40 -1.049 -11.430 -5.651 1.00 0.00 O ATOM 664 CB VAL A 40 -0.234 -8.655 -7.801 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.586 -9.160 -8.967 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.690 -8.852 -8.273 1.00 0.00 C ATOM 0 H VAL A 40 1.534 -10.587 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.401 -8.569 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 40 0.095 -7.637 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.349 -8.578 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.647 -9.057 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.354 -10.210 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.825 -8.377 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.904 -9.917 -8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.371 -8.401 -7.551 1.00 0.00 H new ATOM 676 N ILE A 41 -2.190 -9.542 -5.229 1.00 0.00 N ATOM 677 CA ILE A 41 -3.504 -10.054 -4.798 1.00 0.00 C ATOM 678 C ILE A 41 -4.540 -9.209 -5.570 1.00 0.00 C ATOM 679 O ILE A 41 -4.498 -7.989 -5.440 1.00 0.00 O ATOM 680 CB ILE A 41 -3.694 -9.911 -3.258 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.569 -10.566 -2.431 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.033 -10.523 -2.835 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.669 -10.343 -0.913 1.00 0.00 C ATOM 0 H ILE A 41 -2.125 -8.536 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.610 -11.118 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.667 -8.841 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.571 -11.638 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.611 -10.180 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.157 -10.418 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.846 -10.007 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.050 -11.580 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.836 -10.840 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.634 -9.275 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.609 -10.756 -0.546 1.00 0.00 H new ATOM 695 N PHE A 42 -5.454 -9.781 -6.362 1.00 0.00 N ATOM 696 CA PHE A 42 -6.449 -8.994 -7.112 1.00 0.00 C ATOM 697 C PHE A 42 -7.455 -8.329 -6.163 1.00 0.00 C ATOM 698 O PHE A 42 -7.657 -8.833 -5.049 1.00 0.00 O ATOM 699 CB PHE A 42 -7.181 -9.857 -8.148 1.00 0.00 C ATOM 700 CG PHE A 42 -6.347 -10.328 -9.323 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.796 -9.392 -10.218 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.160 -11.701 -9.559 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.034 -9.813 -11.322 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.407 -12.121 -10.669 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.822 -11.182 -11.536 1.00 0.00 C ATOM 0 H PHE A 42 -5.528 -10.789 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.909 -8.212 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.588 -10.732 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.028 -9.289 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.961 -8.337 -10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.593 -12.430 -8.890 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.614 -9.086 -12.001 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.277 -13.176 -10.858 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.212 -11.514 -12.363 1.00 0.00 H new ATOM 715 N ASN A 43 -8.082 -7.223 -6.600 1.00 0.00 N ATOM 716 CA ASN A 43 -9.071 -6.449 -5.843 1.00 0.00 C ATOM 717 C ASN A 43 -10.422 -7.160 -5.859 1.00 0.00 C ATOM 718 O ASN A 43 -11.437 -6.640 -6.327 1.00 0.00 O ATOM 719 CB ASN A 43 -9.174 -4.991 -6.327 1.00 0.00 C ATOM 720 CG ASN A 43 -10.197 -4.176 -5.517 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.474 -4.456 -4.349 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.799 -3.164 -6.122 1.00 0.00 N ATOM 0 H ASN A 43 -7.904 -6.832 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.730 -6.392 -4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.195 -4.517 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.456 -4.979 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.496 -2.612 -5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.566 -2.936 -7.089 1.00 0.00 H new ATOM 729 N ASP A 44 -10.423 -8.362 -5.296 1.00 0.00 N ATOM 730 CA ASP A 44 -11.604 -9.096 -4.915 1.00 0.00 C ATOM 731 C ASP A 44 -11.768 -8.812 -3.423 1.00 0.00 C ATOM 732 O ASP A 44 -10.802 -8.434 -2.746 1.00 0.00 O ATOM 733 CB ASP A 44 -11.417 -10.608 -5.140 1.00 0.00 C ATOM 734 CG ASP A 44 -10.887 -10.999 -6.532 1.00 0.00 C ATOM 735 OD1 ASP A 44 -11.498 -10.585 -7.546 1.00 0.00 O ATOM 736 OD2 ASP A 44 -9.818 -11.657 -6.600 1.00 0.00 O ATOM 0 H ASP A 44 -9.561 -8.865 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.471 -8.798 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.729 -10.990 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.374 -11.105 -4.980 1.00 0.00 H new ATOM 741 N GLU A 45 -12.952 -9.044 -2.862 1.00 0.00 N ATOM 742 CA GLU A 45 -13.141 -8.990 -1.413 1.00 0.00 C ATOM 743 C GLU A 45 -12.214 -10.023 -0.768 1.00 0.00 C ATOM 744 O GLU A 45 -11.509 -9.708 0.182 1.00 0.00 O ATOM 745 CB GLU A 45 -14.623 -9.204 -1.042 1.00 0.00 C ATOM 746 CG GLU A 45 -14.879 -9.622 0.423 1.00 0.00 C ATOM 747 CD GLU A 45 -14.269 -8.709 1.502 1.00 0.00 C ATOM 748 OE1 GLU A 45 -14.003 -7.515 1.239 1.00 0.00 O ATOM 749 OE2 GLU A 45 -14.063 -9.213 2.640 1.00 0.00 O ATOM 0 H GLU A 45 -13.796 -9.271 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.879 -8.003 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.168 -8.281 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.039 -9.968 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.956 -9.671 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.490 -10.630 0.566 1.00 0.00 H new ATOM 756 N SER A 46 -12.128 -11.241 -1.315 1.00 0.00 N ATOM 757 CA SER A 46 -11.279 -12.284 -0.731 1.00 0.00 C ATOM 758 C SER A 46 -9.786 -11.962 -0.923 1.00 0.00 C ATOM 759 O SER A 46 -8.929 -12.486 -0.209 1.00 0.00 O ATOM 760 CB SER A 46 -11.646 -13.641 -1.360 1.00 0.00 C ATOM 761 OG SER A 46 -11.431 -14.739 -0.491 1.00 0.00 O ATOM 0 H SER A 46 -12.632 -11.527 -2.155 1.00 0.00 H new ATOM 0 HA SER A 46 -11.455 -12.329 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.694 -13.623 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.058 -13.784 -2.267 1.00 0.00 H new ATOM 0 HG SER A 46 -11.683 -15.570 -0.945 1.00 0.00 H new ATOM 767 N GLY A 47 -9.473 -11.037 -1.828 1.00 0.00 N ATOM 768 CA GLY A 47 -8.165 -10.438 -1.915 1.00 0.00 C ATOM 769 C GLY A 47 -7.945 -9.506 -0.735 1.00 0.00 C ATOM 770 O GLY A 47 -7.076 -9.736 0.102 1.00 0.00 O ATOM 0 H GLY A 47 -10.133 -10.687 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.400 -11.214 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.070 -9.885 -2.849 1.00 0.00 H new ATOM 774 N LYS A 48 -8.739 -8.439 -0.647 1.00 0.00 N ATOM 775 CA LYS A 48 -8.522 -7.388 0.343 1.00 0.00 C ATOM 776 C LYS A 48 -8.733 -7.897 1.778 1.00 0.00 C ATOM 777 O LYS A 48 -8.116 -7.375 2.704 1.00 0.00 O ATOM 778 CB LYS A 48 -9.274 -6.125 -0.095 1.00 0.00 C ATOM 779 CG LYS A 48 -10.698 -6.093 0.364 1.00 0.00 C ATOM 780 CD LYS A 48 -11.388 -4.755 0.106 1.00 0.00 C ATOM 781 CE LYS A 48 -12.782 -4.771 0.740 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.482 -3.471 0.653 1.00 0.00 N ATOM 0 H LYS A 48 -9.543 -8.281 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.477 -7.082 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.755 -5.249 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.249 -6.055 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.253 -6.883 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.733 -6.312 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.796 -3.941 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.466 -4.574 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.387 -5.534 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.693 -5.058 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.454 -3.576 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.978 -2.766 1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.507 -3.156 -0.338 1.00 0.00 H new ATOM 796 N LYS A 49 -9.503 -8.974 1.978 1.00 0.00 N ATOM 797 CA LYS A 49 -9.626 -9.661 3.263 1.00 0.00 C ATOM 798 C LYS A 49 -8.259 -10.183 3.713 1.00 0.00 C ATOM 799 O LYS A 49 -7.990 -10.187 4.913 1.00 0.00 O ATOM 800 CB LYS A 49 -10.712 -10.756 3.206 1.00 0.00 C ATOM 801 CG LYS A 49 -10.151 -12.138 2.927 1.00 0.00 C ATOM 802 CD LYS A 49 -11.235 -13.191 2.720 1.00 0.00 C ATOM 803 CE LYS A 49 -11.457 -14.066 3.956 1.00 0.00 C ATOM 804 NZ LYS A 49 -10.901 -15.411 3.715 1.00 0.00 N ATOM 0 H LYS A 49 -10.065 -9.396 1.239 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.959 -8.953 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.251 -10.774 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.436 -10.501 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.520 -12.095 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.513 -12.440 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.170 -12.696 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.963 -13.825 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.979 -13.614 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.522 -14.136 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.052 -16.005 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.377 -15.842 2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.882 -15.336 3.523 1.00 0.00 H new ATOM 818 N SER A 50 -7.443 -10.684 2.781 1.00 0.00 N ATOM 819 CA SER A 50 -6.183 -11.361 3.053 1.00 0.00 C ATOM 820 C SER A 50 -5.128 -10.351 3.498 1.00 0.00 C ATOM 821 O SER A 50 -4.315 -10.653 4.369 1.00 0.00 O ATOM 822 CB SER A 50 -5.744 -12.126 1.793 1.00 0.00 C ATOM 823 OG SER A 50 -6.709 -13.104 1.426 1.00 0.00 O ATOM 0 H SER A 50 -7.653 -10.625 1.785 1.00 0.00 H new ATOM 0 HA SER A 50 -6.309 -12.076 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.600 -11.426 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.783 -12.608 1.973 1.00 0.00 H new ATOM 0 HG SER A 50 -7.387 -12.694 0.848 1.00 0.00 H new ATOM 829 N ILE A 51 -5.201 -9.120 2.985 1.00 0.00 N ATOM 830 CA ILE A 51 -4.325 -8.014 3.350 1.00 0.00 C ATOM 831 C ILE A 51 -4.366 -7.799 4.870 1.00 0.00 C ATOM 832 O ILE A 51 -3.328 -7.633 5.500 1.00 0.00 O ATOM 833 CB ILE A 51 -4.773 -6.752 2.575 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.674 -6.972 1.054 1.00 0.00 C ATOM 835 CG2 ILE A 51 -3.959 -5.505 2.939 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.081 -5.740 0.247 1.00 0.00 C ATOM 0 H ILE A 51 -5.894 -8.862 2.283 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.292 -8.236 3.082 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.809 -6.582 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.651 -7.246 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.309 -7.811 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.321 -4.653 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.069 -5.296 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.907 -5.677 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.991 -5.956 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.114 -5.479 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.429 -4.905 0.504 1.00 0.00 H new ATOM 848 N VAL A 52 -5.552 -7.849 5.483 1.00 0.00 N ATOM 849 CA VAL A 52 -5.700 -7.660 6.925 1.00 0.00 C ATOM 850 C VAL A 52 -4.913 -8.714 7.719 1.00 0.00 C ATOM 851 O VAL A 52 -4.547 -8.467 8.865 1.00 0.00 O ATOM 852 CB VAL A 52 -7.201 -7.669 7.292 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.410 -7.470 8.797 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.975 -6.562 6.561 1.00 0.00 C ATOM 0 H VAL A 52 -6.431 -8.021 4.995 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.278 -6.693 7.198 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.578 -8.645 6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.477 -7.481 9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.916 -8.274 9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.986 -6.513 9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.026 -6.603 6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.563 -5.590 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.886 -6.706 5.484 1.00 0.00 H new ATOM 864 N LYS A 53 -4.675 -9.897 7.146 1.00 0.00 N ATOM 865 CA LYS A 53 -4.091 -11.034 7.844 1.00 0.00 C ATOM 866 C LYS A 53 -2.595 -11.126 7.579 1.00 0.00 C ATOM 867 O LYS A 53 -1.850 -11.612 8.431 1.00 0.00 O ATOM 868 CB LYS A 53 -4.793 -12.323 7.383 1.00 0.00 C ATOM 869 CG LYS A 53 -6.326 -12.227 7.268 1.00 0.00 C ATOM 870 CD LYS A 53 -7.029 -11.741 8.541 1.00 0.00 C ATOM 871 CE LYS A 53 -7.133 -12.876 9.559 1.00 0.00 C ATOM 872 NZ LYS A 53 -8.522 -13.368 9.685 1.00 0.00 N ATOM 0 H LYS A 53 -4.888 -10.090 6.167 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.232 -10.902 8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.389 -12.611 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.546 -13.123 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.575 -11.551 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.720 -13.208 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.477 -10.906 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.025 -11.372 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.482 -13.696 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.780 -12.528 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.556 -14.137 10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.139 -12.591 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.850 -13.722 8.764 1.00 0.00 H new ATOM 886 N GLU A 54 -2.161 -10.634 6.415 1.00 0.00 N ATOM 887 CA GLU A 54 -0.781 -10.684 5.958 1.00 0.00 C ATOM 888 C GLU A 54 0.170 -9.976 6.932 1.00 0.00 C ATOM 889 O GLU A 54 1.337 -10.362 7.019 1.00 0.00 O ATOM 890 CB GLU A 54 -0.708 -10.121 4.527 1.00 0.00 C ATOM 891 CG GLU A 54 -0.561 -8.601 4.394 1.00 0.00 C ATOM 892 CD GLU A 54 0.845 -8.195 3.947 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.796 -8.310 4.752 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.985 -7.843 2.760 1.00 0.00 O ATOM 0 H GLU A 54 -2.784 -10.177 5.749 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.442 -11.720 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.134 -10.590 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.610 -10.424 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.291 -8.228 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.787 -8.130 5.351 1.00 0.00 H new ATOM 901 N ASN A 55 -0.358 -9.013 7.703 1.00 0.00 N ATOM 902 CA ASN A 55 0.338 -8.169 8.667 1.00 0.00 C ATOM 903 C ASN A 55 1.181 -7.104 7.925 1.00 0.00 C ATOM 904 O ASN A 55 2.377 -6.932 8.184 1.00 0.00 O ATOM 905 CB ASN A 55 1.056 -9.022 9.748 1.00 0.00 C ATOM 906 CG ASN A 55 0.763 -8.586 11.188 1.00 0.00 C ATOM 907 OD1 ASN A 55 -0.331 -8.806 11.711 1.00 0.00 O ATOM 908 ND2 ASN A 55 1.735 -8.040 11.900 1.00 0.00 N ATOM 0 H ASN A 55 -1.353 -8.794 7.661 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.366 -7.584 9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.760 -10.064 9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.132 -8.974 9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.578 -7.802 12.879 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.641 -7.857 11.470 1.00 0.00 H new ATOM 915 N VAL A 56 0.557 -6.370 6.994 1.00 0.00 N ATOM 916 CA VAL A 56 1.115 -5.192 6.306 1.00 0.00 C ATOM 917 C VAL A 56 1.668 -4.211 7.347 1.00 0.00 C ATOM 918 O VAL A 56 1.206 -4.154 8.487 1.00 0.00 O ATOM 919 CB VAL A 56 0.027 -4.468 5.461 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.638 -3.704 4.288 1.00 0.00 C ATOM 921 CG2 VAL A 56 -1.107 -5.309 4.882 1.00 0.00 C ATOM 0 H VAL A 56 -0.390 -6.588 6.685 1.00 0.00 H new ATOM 0 HA VAL A 56 1.908 -5.530 5.639 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.419 -3.822 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.153 -3.212 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.334 -2.955 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.170 -4.399 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.785 -4.667 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.694 -6.070 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.653 -5.791 5.693 1.00 0.00 H new ATOM 931 N ASN A 57 2.657 -3.432 6.928 1.00 0.00 N ATOM 932 CA ASN A 57 3.217 -2.322 7.674 1.00 0.00 C ATOM 933 C ASN A 57 2.474 -1.039 7.299 1.00 0.00 C ATOM 934 O ASN A 57 2.137 -0.244 8.178 1.00 0.00 O ATOM 935 CB ASN A 57 4.712 -2.210 7.338 1.00 0.00 C ATOM 936 CG ASN A 57 5.567 -2.307 8.584 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.784 -3.417 9.080 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.067 -1.208 9.111 1.00 0.00 N ATOM 0 H ASN A 57 3.106 -3.565 6.022 1.00 0.00 H new ATOM 0 HA ASN A 57 3.106 -2.482 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.990 -3.001 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.904 -1.262 6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.648 -1.262 9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.873 -0.303 8.682 1.00 0.00 H new ATOM 945 N ALA A 58 2.200 -0.834 6.002 1.00 0.00 N ATOM 946 CA ALA A 58 1.587 0.391 5.502 1.00 0.00 C ATOM 947 C ALA A 58 0.794 0.179 4.201 1.00 0.00 C ATOM 948 O ALA A 58 1.043 -0.778 3.475 1.00 0.00 O ATOM 949 CB ALA A 58 2.710 1.408 5.287 1.00 0.00 C ATOM 0 H ALA A 58 2.401 -1.519 5.274 1.00 0.00 H new ATOM 0 HA ALA A 58 0.861 0.747 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.289 2.341 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.219 1.594 6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.423 1.015 4.563 1.00 0.00 H new ATOM 955 N ILE A 59 -0.128 1.081 3.852 1.00 0.00 N ATOM 956 CA ILE A 59 -0.822 1.109 2.558 1.00 0.00 C ATOM 957 C ILE A 59 -0.443 2.405 1.849 1.00 0.00 C ATOM 958 O ILE A 59 -0.347 3.440 2.506 1.00 0.00 O ATOM 959 CB ILE A 59 -2.350 0.989 2.788 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.643 -0.431 3.309 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.191 1.276 1.525 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.086 -0.652 3.774 1.00 0.00 C ATOM 0 H ILE A 59 -0.421 1.832 4.477 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.527 0.269 1.929 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.640 1.749 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.415 -1.148 2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.970 -0.646 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.250 1.173 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.993 2.291 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.924 0.567 0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.202 -1.678 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.316 0.037 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.768 -0.473 2.943 1.00 0.00 H new ATOM 974 N ILE A 60 -0.302 2.361 0.522 1.00 0.00 N ATOM 975 CA ILE A 60 -0.064 3.522 -0.333 1.00 0.00 C ATOM 976 C ILE A 60 -1.191 3.546 -1.365 1.00 0.00 C ATOM 977 O ILE A 60 -1.372 2.584 -2.119 1.00 0.00 O ATOM 978 CB ILE A 60 1.335 3.457 -0.994 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.435 3.276 0.079 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.607 4.728 -1.822 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.871 3.180 -0.447 1.00 0.00 C ATOM 0 H ILE A 60 -0.352 1.487 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.067 4.444 0.248 1.00 0.00 H new ATOM 0 HB ILE A 60 1.353 2.597 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.378 4.113 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.216 2.373 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.595 4.661 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.853 4.821 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.566 5.602 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.558 3.055 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.957 2.325 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.122 4.092 -0.989 1.00 0.00 H new ATOM 993 N CYS A 61 -1.950 4.640 -1.396 1.00 0.00 N ATOM 994 CA CYS A 61 -2.964 4.920 -2.405 1.00 0.00 C ATOM 995 C CYS A 61 -3.072 6.433 -2.609 1.00 0.00 C ATOM 996 O CYS A 61 -2.495 7.212 -1.847 1.00 0.00 O ATOM 997 CB CYS A 61 -4.316 4.301 -2.002 1.00 0.00 C ATOM 998 SG CYS A 61 -4.710 4.515 -0.250 1.00 0.00 S ATOM 0 H CYS A 61 -1.872 5.378 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.673 4.465 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.107 4.751 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.304 3.237 -2.237 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.255 3.427 0.208 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.819 6.851 -3.632 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.223 8.243 -3.802 1.00 0.00 C ATOM 1006 C LYS A 62 -5.451 8.563 -2.964 1.00 0.00 C ATOM 1007 O LYS A 62 -5.463 9.617 -2.340 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.507 8.566 -5.270 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.239 8.916 -6.052 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.648 9.461 -7.420 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.415 9.908 -8.203 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.797 10.380 -9.545 1.00 0.00 N ATOM 0 H LYS A 62 -4.160 6.231 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.391 8.861 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.994 7.711 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.206 9.401 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.652 9.657 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.610 8.033 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.184 8.694 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.332 10.301 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.904 10.705 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.712 9.079 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.167 11.156 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.715 9.597 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.780 10.720 -9.527 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.449 7.680 -2.858 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.625 7.912 -2.014 1.00 0.00 C ATOM 1028 C ASN A 63 -8.127 6.587 -1.463 1.00 0.00 C ATOM 1029 O ASN A 63 -7.771 5.525 -1.969 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.725 8.648 -2.789 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.466 10.146 -2.794 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.514 10.788 -1.749 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.104 10.723 -3.920 1.00 0.00 N ATOM 0 H ASN A 63 -6.465 6.788 -3.353 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.340 8.551 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.766 8.277 -3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.695 8.443 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.860 11.713 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.068 10.180 -4.783 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.974 6.632 -0.442 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.530 5.463 0.256 1.00 0.00 C ATOM 1042 C ILE A 64 -10.977 5.771 0.680 1.00 0.00 C ATOM 1043 O ILE A 64 -11.279 6.914 1.019 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.566 5.140 1.421 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.861 3.805 2.130 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.542 6.291 2.433 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.828 3.475 3.221 1.00 0.00 C ATOM 0 H ILE A 64 -9.310 7.515 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.599 4.574 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.581 5.025 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.855 3.846 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.875 3.002 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.858 6.046 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.207 7.203 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.544 6.443 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.084 2.524 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.836 3.405 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.831 4.262 3.975 1.00 0.00 H new ATOM 1059 N SER A 65 -11.884 4.785 0.673 1.00 0.00 N ATOM 1060 CA SER A 65 -13.213 4.954 1.298 1.00 0.00 C ATOM 1061 C SER A 65 -13.045 5.199 2.807 1.00 0.00 C ATOM 1062 O SER A 65 -12.038 4.781 3.384 1.00 0.00 O ATOM 1063 CB SER A 65 -14.097 3.725 1.055 1.00 0.00 C ATOM 1064 OG SER A 65 -14.444 3.619 -0.324 1.00 0.00 O ATOM 0 H SER A 65 -11.730 3.871 0.248 1.00 0.00 H new ATOM 0 HA SER A 65 -13.704 5.814 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.572 2.824 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.002 3.797 1.658 1.00 0.00 H new ATOM 0 HG SER A 65 -15.007 2.828 -0.460 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.007 5.848 3.464 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.956 6.121 4.899 1.00 0.00 C ATOM 1072 C GLU A 66 -14.028 4.800 5.660 1.00 0.00 C ATOM 1073 O GLU A 66 -13.266 4.556 6.594 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.105 7.057 5.319 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.706 7.832 6.587 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.863 8.323 7.469 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -16.902 7.637 7.620 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -15.645 9.287 8.234 1.00 0.00 O ATOM 0 H GLU A 66 -14.850 6.201 3.011 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.019 6.624 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.333 7.754 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.009 6.478 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.061 7.194 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.111 8.695 6.289 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.922 3.922 5.213 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.170 2.634 5.834 1.00 0.00 C ATOM 1087 C GLU A 67 -13.910 1.757 5.785 1.00 0.00 C ATOM 1088 O GLU A 67 -13.515 1.177 6.801 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.361 2.009 5.106 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.046 0.939 5.957 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.353 0.507 5.299 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.343 -0.383 4.420 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -19.418 1.082 5.618 1.00 0.00 O ATOM 0 H GLU A 67 -15.503 4.094 4.393 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.410 2.738 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.081 2.787 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.023 1.567 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.387 0.079 6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.243 1.328 6.956 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.257 1.726 4.612 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.971 1.055 4.387 1.00 0.00 C ATOM 1102 C ASN A 68 -10.901 1.699 5.279 1.00 0.00 C ATOM 1103 O ASN A 68 -10.180 0.973 5.956 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.503 1.095 2.909 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.032 -0.008 1.979 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.225 -1.166 2.341 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.231 0.306 0.707 1.00 0.00 N ATOM 0 H ASN A 68 -13.620 2.179 3.774 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.114 0.005 4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.790 2.059 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.414 1.054 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.539 -0.409 0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.076 1.262 0.387 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.787 3.034 5.322 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.819 3.727 6.180 1.00 0.00 C ATOM 1116 C TYR A 69 -9.965 3.273 7.624 1.00 0.00 C ATOM 1117 O TYR A 69 -9.009 2.739 8.179 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.964 5.251 6.067 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.934 6.040 6.855 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.138 6.337 8.215 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.767 6.495 6.219 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.206 7.115 8.919 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.844 7.302 6.899 1.00 0.00 C ATOM 1124 CZ TYR A 69 -7.068 7.642 8.254 1.00 0.00 C ATOM 1125 OH TYR A 69 -6.190 8.452 8.916 1.00 0.00 O ATOM 0 H TYR A 69 -11.364 3.662 4.763 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.818 3.466 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.894 5.533 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.960 5.535 6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.017 5.964 8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.578 6.219 5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.355 7.313 9.970 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.963 7.664 6.389 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.437 8.668 8.328 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.145 3.442 8.232 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.331 3.124 9.648 1.00 0.00 C ATOM 1137 C LYS A 70 -11.126 1.627 9.931 1.00 0.00 C ATOM 1138 O LYS A 70 -10.889 1.228 11.072 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.732 3.536 10.114 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.004 5.044 10.018 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.458 5.296 10.418 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.847 6.752 10.182 1.00 0.00 C ATOM 1143 NZ LYS A 70 -16.300 6.942 10.321 1.00 0.00 N ATOM 0 H LYS A 70 -11.981 3.796 7.766 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.578 3.686 10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.473 3.005 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.868 3.218 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.329 5.594 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.822 5.399 9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.115 4.643 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.598 5.044 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.324 7.391 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.531 7.059 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.486 7.811 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.732 7.020 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.710 6.129 10.823 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.270 0.764 8.919 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.995 -0.665 9.025 1.00 0.00 C ATOM 1159 C LYS A 71 -9.494 -0.933 9.001 1.00 0.00 C ATOM 1160 O LYS A 71 -9.018 -1.795 9.747 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.707 -1.388 7.879 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.508 -2.910 7.875 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.021 -3.637 9.138 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.213 -4.537 8.788 1.00 0.00 C ATOM 1165 NZ LYS A 71 -13.859 -5.127 9.981 1.00 0.00 N ATOM 0 H LYS A 71 -11.586 1.047 7.991 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.371 -1.042 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.774 -1.173 7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.350 -0.984 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.014 -3.326 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.445 -3.122 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.220 -4.236 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.317 -2.907 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.949 -3.956 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.876 -5.338 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.657 -5.725 9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.168 -5.705 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.208 -4.367 10.599 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.761 -0.276 8.104 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.340 -0.504 7.885 1.00 0.00 C ATOM 1181 C PHE A 72 -6.456 0.349 8.798 1.00 0.00 C ATOM 1182 O PHE A 72 -5.262 0.085 8.860 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.994 -0.318 6.399 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.313 -1.541 5.548 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.472 -2.668 5.602 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.435 -1.571 4.699 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -6.750 -3.808 4.825 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.701 -2.698 3.904 1.00 0.00 C ATOM 1189 CZ PHE A 72 -7.869 -3.827 3.974 1.00 0.00 C ATOM 0 H PHE A 72 -9.151 0.445 7.497 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.125 -1.537 8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.543 0.540 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.933 -0.086 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.605 -2.658 6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.098 -0.719 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.102 -4.670 4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.549 -2.696 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.087 -4.702 3.380 1.00 0.00 H new ATOM 1199 N SER A 73 -6.984 1.306 9.560 1.00 0.00 N ATOM 1200 CA SER A 73 -6.248 2.109 10.546 1.00 0.00 C ATOM 1201 C SER A 73 -5.889 1.304 11.818 1.00 0.00 C ATOM 1202 O SER A 73 -6.054 1.754 12.958 1.00 0.00 O ATOM 1203 CB SER A 73 -7.087 3.357 10.836 1.00 0.00 C ATOM 1204 OG SER A 73 -8.387 2.981 11.241 1.00 0.00 O ATOM 0 H SER A 73 -7.972 1.555 9.509 1.00 0.00 H new ATOM 0 HA SER A 73 -5.280 2.407 10.143 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.612 3.952 11.616 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.141 3.984 9.946 1.00 0.00 H new ATOM 0 HG SER A 73 -8.865 3.768 11.577 1.00 0.00 H new ATOM 1210 N LYS A 74 -5.432 0.061 11.641 1.00 0.00 N ATOM 1211 CA LYS A 74 -5.199 -0.930 12.681 1.00 0.00 C ATOM 1212 C LYS A 74 -3.912 -1.643 12.321 1.00 0.00 C ATOM 1213 O LYS A 74 -3.887 -2.330 11.306 1.00 0.00 O ATOM 1214 CB LYS A 74 -6.356 -1.948 12.716 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.733 -1.380 13.116 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.007 -1.397 14.623 1.00 0.00 C ATOM 1217 CE LYS A 74 -6.906 -0.713 15.438 1.00 0.00 C ATOM 1218 NZ LYS A 74 -7.224 -0.717 16.877 1.00 0.00 N ATOM 0 H LYS A 74 -5.203 -0.295 10.713 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.135 -0.456 13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.444 -2.405 11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.095 -2.744 13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.808 -0.354 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.510 -1.953 12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.958 -0.902 14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.110 -2.430 14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.957 -1.223 15.272 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.780 0.314 15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.460 -0.247 17.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.117 -0.209 17.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.320 -1.698 17.209 1.00 0.00 H new ATOM 1232 N LYS A 75 -2.847 -1.453 13.103 1.00 0.00 N ATOM 1233 CA LYS A 75 -1.502 -1.981 12.848 1.00 0.00 C ATOM 1234 C LYS A 75 -0.875 -1.484 11.535 1.00 0.00 C ATOM 1235 O LYS A 75 0.243 -1.860 11.220 1.00 0.00 O ATOM 1236 CB LYS A 75 -1.497 -3.527 12.957 1.00 0.00 C ATOM 1237 CG LYS A 75 -0.194 -4.126 13.524 1.00 0.00 C ATOM 1238 CD LYS A 75 0.786 -4.702 12.490 1.00 0.00 C ATOM 1239 CE LYS A 75 2.164 -4.847 13.142 1.00 0.00 C ATOM 1240 NZ LYS A 75 3.255 -4.957 12.159 1.00 0.00 N ATOM 0 H LYS A 75 -2.898 -0.907 13.963 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.855 -1.579 13.628 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.329 -3.836 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.675 -3.949 11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.321 -3.352 14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.456 -4.917 14.227 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.433 -5.670 12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.847 -4.046 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.348 -3.987 13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.167 -5.730 13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.163 -5.053 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.099 -5.792 11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.274 -4.104 11.565 1.00 0.00 H new ATOM 1254 N ILE A 76 -1.572 -0.670 10.748 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.181 -0.311 9.399 1.00 0.00 C ATOM 1256 C ILE A 76 -1.294 1.204 9.321 1.00 0.00 C ATOM 1257 O ILE A 76 -2.276 1.802 9.778 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.063 -1.039 8.360 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.073 -2.576 8.524 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.610 -0.687 6.936 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.180 -3.274 7.722 1.00 0.00 C ATOM 0 H ILE A 76 -2.445 -0.234 11.043 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.161 -0.620 9.168 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.081 -0.691 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.106 -2.972 8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.193 -2.819 9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.240 -1.207 6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.695 0.389 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.573 -0.993 6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.125 -4.350 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.153 -2.906 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.050 -3.062 6.661 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.269 1.816 8.752 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.165 3.241 8.518 1.00 0.00 C ATOM 1275 C GLU A 77 -0.604 3.491 7.076 1.00 0.00 C ATOM 1276 O GLU A 77 -0.178 2.791 6.161 1.00 0.00 O ATOM 1277 CB GLU A 77 1.292 3.640 8.774 1.00 0.00 C ATOM 1278 CG GLU A 77 1.615 3.487 10.266 1.00 0.00 C ATOM 1279 CD GLU A 77 3.103 3.595 10.593 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.861 2.664 10.255 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.448 4.574 11.306 1.00 0.00 O ATOM 0 H GLU A 77 0.551 1.305 8.426 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.797 3.839 9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.960 3.015 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.458 4.671 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.074 4.251 10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.247 2.520 10.610 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.502 4.447 6.856 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.065 4.710 5.535 1.00 0.00 C ATOM 1290 C ILE A 78 -1.389 5.980 5.004 1.00 0.00 C ATOM 1291 O ILE A 78 -1.463 7.032 5.639 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.611 4.754 5.618 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.166 3.456 6.263 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.199 4.950 4.215 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.690 3.341 6.295 1.00 0.00 C ATOM 0 H ILE A 78 -1.860 5.061 7.588 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.863 3.916 4.816 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.904 5.594 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.765 2.600 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.792 3.389 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.287 4.980 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.833 5.887 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.895 4.122 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.974 2.399 6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.106 4.171 6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.079 3.370 5.277 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.677 5.862 3.882 1.00 0.00 N ATOM 1308 CA TYR A 79 0.153 6.896 3.275 1.00 0.00 C ATOM 1309 C TYR A 79 -0.469 7.396 1.970 1.00 0.00 C ATOM 1310 O TYR A 79 -1.196 6.663 1.290 1.00 0.00 O ATOM 1311 CB TYR A 79 1.558 6.352 2.984 1.00 0.00 C ATOM 1312 CG TYR A 79 2.457 6.150 4.188 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.280 5.042 5.032 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.514 7.043 4.435 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.188 4.808 6.078 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.447 6.798 5.459 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.285 5.667 6.290 1.00 0.00 C ATOM 1318 OH TYR A 79 5.126 5.402 7.326 1.00 0.00 O ATOM 0 H TYR A 79 -0.665 4.994 3.346 1.00 0.00 H new ATOM 0 HA TYR A 79 0.221 7.725 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.456 5.397 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.055 7.035 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.448 4.371 4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.611 7.932 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.043 3.958 6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.280 7.469 5.609 1.00 0.00 H new ATOM 0 HH TYR A 79 5.837 6.076 7.351 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.120 8.629 1.600 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.592 9.301 0.396 1.00 0.00 C ATOM 1330 C HIS A 80 0.448 9.201 -0.707 1.00 0.00 C ATOM 1331 O HIS A 80 1.550 9.740 -0.571 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.902 10.777 0.691 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.861 11.415 -0.290 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.767 12.681 -0.823 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -3.015 10.860 -0.774 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.847 12.886 -1.596 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.631 11.799 -1.603 1.00 0.00 N ATOM 0 H HIS A 80 0.519 9.203 2.150 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.507 8.809 0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.320 10.856 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.031 11.340 0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.384 9.869 -0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.054 13.798 -2.136 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.506 11.681 -2.114 1.00 0.00 H new ATOM 1345 N ALA A 81 0.080 8.554 -1.810 1.00 0.00 N ATOM 1346 CA ALA A 81 0.856 8.588 -3.038 1.00 0.00 C ATOM 1347 C ALA A 81 0.948 10.028 -3.529 1.00 0.00 C ATOM 1348 O ALA A 81 -0.044 10.763 -3.539 1.00 0.00 O ATOM 1349 CB ALA A 81 0.200 7.712 -4.107 1.00 0.00 C ATOM 0 H ALA A 81 -0.768 7.991 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 81 1.856 8.201 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.793 7.748 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.144 6.683 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.805 8.080 -4.312 1.00 0.00 H new ATOM 1355 N GLU A 82 2.142 10.438 -3.932 1.00 0.00 N ATOM 1356 CA GLU A 82 2.432 11.788 -4.401 1.00 0.00 C ATOM 1357 C GLU A 82 2.004 12.014 -5.851 1.00 0.00 C ATOM 1358 O GLU A 82 1.869 13.151 -6.309 1.00 0.00 O ATOM 1359 CB GLU A 82 3.928 12.044 -4.171 1.00 0.00 C ATOM 1360 CG GLU A 82 4.838 11.189 -5.060 1.00 0.00 C ATOM 1361 CD GLU A 82 5.483 12.018 -6.180 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.853 12.154 -7.258 1.00 0.00 O ATOM 1363 OE2 GLU A 82 6.586 12.557 -5.979 1.00 0.00 O ATOM 0 H GLU A 82 2.958 9.826 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 82 1.845 12.512 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.141 13.097 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.166 11.847 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.618 10.733 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.259 10.376 -5.497 1.00 0.00 H new ATOM 1370 N GLY A 83 1.760 10.925 -6.564 1.00 0.00 N ATOM 1371 CA GLY A 83 1.946 10.781 -7.993 1.00 0.00 C ATOM 1372 C GLY A 83 1.477 9.405 -8.417 1.00 0.00 C ATOM 1373 O GLY A 83 0.992 8.625 -7.597 1.00 0.00 O ATOM 0 H GLY A 83 1.407 10.071 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.385 11.550 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 83 2.996 10.917 -8.251 1.00 0.00 H new ATOM 1377 N ASP A 84 1.615 9.126 -9.706 1.00 0.00 N ATOM 1378 CA ASP A 84 1.241 7.852 -10.312 1.00 0.00 C ATOM 1379 C ASP A 84 2.469 6.944 -10.425 1.00 0.00 C ATOM 1380 O ASP A 84 2.320 5.738 -10.615 1.00 0.00 O ATOM 1381 CB ASP A 84 0.583 8.124 -11.679 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.653 9.018 -11.534 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -1.716 8.524 -11.106 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -0.552 10.259 -11.736 1.00 0.00 O ATOM 0 H ASP A 84 1.998 9.793 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 84 0.517 7.329 -9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.304 8.601 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.299 7.179 -12.143 1.00 0.00 H new ATOM 1389 N ASP A 85 3.671 7.520 -10.279 1.00 0.00 N ATOM 1390 CA ASP A 85 4.962 6.838 -10.409 1.00 0.00 C ATOM 1391 C ASP A 85 5.196 5.928 -9.205 1.00 0.00 C ATOM 1392 O ASP A 85 5.588 6.389 -8.128 1.00 0.00 O ATOM 1393 CB ASP A 85 6.120 7.842 -10.501 1.00 0.00 C ATOM 1394 CG ASP A 85 7.354 7.281 -11.190 1.00 0.00 C ATOM 1395 OD1 ASP A 85 8.127 6.580 -10.508 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.653 7.663 -12.342 1.00 0.00 O ATOM 0 H ASP A 85 3.772 8.511 -10.059 1.00 0.00 H new ATOM 0 HA ASP A 85 4.932 6.250 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.782 8.726 -11.041 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.390 8.166 -9.496 1.00 0.00 H new ATOM 1401 N VAL A 86 4.951 4.632 -9.350 1.00 0.00 N ATOM 1402 CA VAL A 86 5.249 3.664 -8.298 1.00 0.00 C ATOM 1403 C VAL A 86 6.708 3.815 -7.848 1.00 0.00 C ATOM 1404 O VAL A 86 6.973 3.790 -6.647 1.00 0.00 O ATOM 1405 CB VAL A 86 4.936 2.243 -8.807 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.509 1.140 -7.909 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.421 2.024 -8.927 1.00 0.00 C ATOM 0 H VAL A 86 4.544 4.223 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 86 4.622 3.849 -7.425 1.00 0.00 H new ATOM 0 HB VAL A 86 5.414 2.173 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.253 0.165 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.593 1.240 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.088 1.231 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.227 1.014 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.956 2.156 -7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.003 2.746 -9.628 1.00 0.00 H new ATOM 1417 N ASP A 87 7.651 4.006 -8.775 1.00 0.00 N ATOM 1418 CA ASP A 87 9.074 4.029 -8.449 1.00 0.00 C ATOM 1419 C ASP A 87 9.415 5.231 -7.579 1.00 0.00 C ATOM 1420 O ASP A 87 10.204 5.106 -6.641 1.00 0.00 O ATOM 1421 CB ASP A 87 9.966 4.036 -9.699 1.00 0.00 C ATOM 1422 CG ASP A 87 10.322 2.630 -10.143 1.00 0.00 C ATOM 1423 OD1 ASP A 87 11.148 1.967 -9.483 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.779 2.185 -11.187 1.00 0.00 O ATOM 0 H ASP A 87 7.449 4.148 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 87 9.275 3.110 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.453 4.554 -10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.879 4.594 -9.491 1.00 0.00 H new ATOM 1429 N LYS A 88 8.817 6.397 -7.847 1.00 0.00 N ATOM 1430 CA LYS A 88 8.975 7.557 -6.982 1.00 0.00 C ATOM 1431 C LYS A 88 8.461 7.226 -5.589 1.00 0.00 C ATOM 1432 O LYS A 88 9.099 7.522 -4.582 1.00 0.00 O ATOM 1433 CB LYS A 88 8.245 8.768 -7.599 1.00 0.00 C ATOM 1434 CG LYS A 88 8.411 10.070 -6.798 1.00 0.00 C ATOM 1435 CD LYS A 88 9.858 10.463 -6.459 1.00 0.00 C ATOM 1436 CE LYS A 88 10.265 11.846 -6.983 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.445 11.768 -7.874 1.00 0.00 N ATOM 0 H LYS A 88 8.220 6.556 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 88 10.029 7.820 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.616 8.926 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.183 8.536 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.956 10.883 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.852 9.976 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.985 10.443 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.534 9.715 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.429 12.291 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.487 12.503 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.691 12.721 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.249 11.367 -7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.225 11.161 -8.689 1.00 0.00 H new ATOM 1451 N ASN A 89 7.287 6.613 -5.531 1.00 0.00 N ATOM 1452 CA ASN A 89 6.579 6.428 -4.280 1.00 0.00 C ATOM 1453 C ASN A 89 7.222 5.341 -3.423 1.00 0.00 C ATOM 1454 O ASN A 89 7.059 5.355 -2.207 1.00 0.00 O ATOM 1455 CB ASN A 89 5.115 6.129 -4.601 1.00 0.00 C ATOM 1456 CG ASN A 89 4.398 7.437 -4.916 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.874 8.101 -4.032 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.417 7.887 -6.155 1.00 0.00 N ATOM 0 H ASN A 89 6.804 6.234 -6.346 1.00 0.00 H new ATOM 0 HA ASN A 89 6.635 7.338 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.047 5.449 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.638 5.633 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.995 8.789 -6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.854 7.333 -6.892 1.00 0.00 H new ATOM 1465 N ILE A 90 7.920 4.372 -4.022 1.00 0.00 N ATOM 1466 CA ILE A 90 8.625 3.323 -3.299 1.00 0.00 C ATOM 1467 C ILE A 90 9.789 3.953 -2.525 1.00 0.00 C ATOM 1468 O ILE A 90 9.923 3.696 -1.325 1.00 0.00 O ATOM 1469 CB ILE A 90 9.037 2.191 -4.277 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.813 1.320 -4.661 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.129 1.295 -3.675 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.099 0.226 -5.697 1.00 0.00 C ATOM 0 H ILE A 90 8.009 4.298 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 90 7.982 2.845 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 90 9.434 2.671 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.421 0.852 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.029 1.971 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.392 0.514 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.011 1.896 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.760 0.839 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.184 -0.330 -5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.459 0.683 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.857 -0.454 -5.308 1.00 0.00 H new ATOM 1484 N SER A 91 10.635 4.748 -3.185 1.00 0.00 N ATOM 1485 CA SER A 91 11.834 5.263 -2.534 1.00 0.00 C ATOM 1486 C SER A 91 11.491 6.324 -1.484 1.00 0.00 C ATOM 1487 O SER A 91 12.161 6.407 -0.449 1.00 0.00 O ATOM 1488 CB SER A 91 12.851 5.753 -3.570 1.00 0.00 C ATOM 1489 OG SER A 91 12.312 6.729 -4.436 1.00 0.00 O ATOM 0 H SER A 91 10.512 5.043 -4.154 1.00 0.00 H new ATOM 0 HA SER A 91 12.308 4.445 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.718 6.167 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.204 4.905 -4.158 1.00 0.00 H new ATOM 0 HG SER A 91 12.997 7.012 -5.077 1.00 0.00 H new ATOM 1495 N LEU A 92 10.434 7.118 -1.704 1.00 0.00 N ATOM 1496 CA LEU A 92 9.949 8.074 -0.712 1.00 0.00 C ATOM 1497 C LEU A 92 9.439 7.339 0.526 1.00 0.00 C ATOM 1498 O LEU A 92 9.708 7.769 1.648 1.00 0.00 O ATOM 1499 CB LEU A 92 8.814 8.930 -1.298 1.00 0.00 C ATOM 1500 CG LEU A 92 9.230 9.956 -2.368 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.971 10.539 -3.019 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.054 11.109 -1.793 1.00 0.00 C ATOM 0 H LEU A 92 9.897 7.112 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 92 10.779 8.723 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.069 8.263 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.328 9.463 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 92 9.851 9.431 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.258 11.267 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.397 9.737 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.362 11.028 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.319 11.801 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.468 11.634 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.963 10.715 -1.338 1.00 0.00 H new ATOM 1514 N PHE A 93 8.699 6.242 0.340 1.00 0.00 N ATOM 1515 CA PHE A 93 8.118 5.486 1.442 1.00 0.00 C ATOM 1516 C PHE A 93 9.189 4.995 2.426 1.00 0.00 C ATOM 1517 O PHE A 93 9.021 5.129 3.639 1.00 0.00 O ATOM 1518 CB PHE A 93 7.303 4.313 0.887 1.00 0.00 C ATOM 1519 CG PHE A 93 6.919 3.307 1.948 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.080 3.678 3.017 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.493 2.023 1.913 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.808 2.759 4.043 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.220 1.106 2.937 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.370 1.472 3.997 1.00 0.00 C ATOM 0 H PHE A 93 8.489 5.857 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 93 7.457 6.149 2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.399 4.697 0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.881 3.811 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.647 4.667 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.144 1.744 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.168 3.041 4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.661 0.120 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.149 0.760 4.779 1.00 0.00 H new ATOM 1534 N ILE A 94 10.271 4.405 1.920 1.00 0.00 N ATOM 1535 CA ILE A 94 11.389 3.892 2.700 1.00 0.00 C ATOM 1536 C ILE A 94 11.912 4.953 3.683 1.00 0.00 C ATOM 1537 O ILE A 94 11.937 4.682 4.881 1.00 0.00 O ATOM 1538 CB ILE A 94 12.455 3.320 1.738 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.935 1.995 1.130 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.787 3.051 2.457 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.606 1.620 -0.192 1.00 0.00 C ATOM 0 H ILE A 94 10.395 4.268 0.917 1.00 0.00 H new ATOM 0 HA ILE A 94 11.067 3.068 3.336 1.00 0.00 H new ATOM 0 HB ILE A 94 12.633 4.060 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.092 1.190 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.860 2.076 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.510 2.650 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.169 3.982 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.628 2.330 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.191 0.681 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.428 2.406 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.679 1.506 -0.036 1.00 0.00 H new ATOM 1553 N GLU A 95 12.314 6.149 3.229 1.00 0.00 N ATOM 1554 CA GLU A 95 12.819 7.175 4.145 1.00 0.00 C ATOM 1555 C GLU A 95 11.721 7.836 4.993 1.00 0.00 C ATOM 1556 O GLU A 95 12.038 8.675 5.843 1.00 0.00 O ATOM 1557 CB GLU A 95 13.612 8.223 3.350 1.00 0.00 C ATOM 1558 CG GLU A 95 15.074 7.794 3.185 1.00 0.00 C ATOM 1559 CD GLU A 95 15.929 8.153 4.417 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.655 7.672 5.541 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.881 8.966 4.287 1.00 0.00 O ATOM 0 H GLU A 95 12.299 6.425 2.247 1.00 0.00 H new ATOM 0 HA GLU A 95 13.475 6.677 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.157 8.362 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.567 9.184 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.118 6.718 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.494 8.274 2.301 1.00 0.00 H new ATOM 1568 N GLY A 96 10.452 7.465 4.803 1.00 0.00 N ATOM 1569 CA GLY A 96 9.320 8.011 5.537 1.00 0.00 C ATOM 1570 C GLY A 96 8.822 9.328 4.938 1.00 0.00 C ATOM 1571 O GLY A 96 7.981 9.990 5.544 1.00 0.00 O ATOM 0 H GLY A 96 10.183 6.760 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.507 7.285 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.607 8.172 6.576 1.00 0.00 H new ATOM 1575 N GLU A 97 9.349 9.722 3.777 1.00 0.00 N ATOM 1576 CA GLU A 97 9.110 10.996 3.116 1.00 0.00 C ATOM 1577 C GLU A 97 7.663 11.129 2.622 1.00 0.00 C ATOM 1578 O GLU A 97 7.137 12.244 2.573 1.00 0.00 O ATOM 1579 CB GLU A 97 10.138 11.121 1.972 1.00 0.00 C ATOM 1580 CG GLU A 97 10.923 12.439 1.985 1.00 0.00 C ATOM 1581 CD GLU A 97 10.371 13.487 1.013 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.169 13.829 1.083 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.152 13.980 0.163 1.00 0.00 O ATOM 0 H GLU A 97 9.987 9.126 3.249 1.00 0.00 H new ATOM 0 HA GLU A 97 9.240 11.816 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.841 10.290 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.619 11.028 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.912 12.850 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.964 12.235 1.735 1.00 0.00 H new ATOM 1590 N LEU A 98 6.983 10.016 2.313 1.00 0.00 N ATOM 1591 CA LEU A 98 5.552 10.055 2.002 1.00 0.00 C ATOM 1592 C LEU A 98 4.780 10.514 3.250 1.00 0.00 C ATOM 1593 O LEU A 98 5.090 10.119 4.377 1.00 0.00 O ATOM 1594 CB LEU A 98 5.018 8.680 1.572 1.00 0.00 C ATOM 1595 CG LEU A 98 5.443 8.186 0.179 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.633 6.926 -0.134 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.212 9.201 -0.946 1.00 0.00 C ATOM 0 H LEU A 98 7.399 9.086 2.273 1.00 0.00 H new ATOM 0 HA LEU A 98 5.410 10.749 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.339 7.943 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.929 8.711 1.606 1.00 0.00 H new ATOM 0 HG LEU A 98 6.517 8.006 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.912 6.550 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.840 6.164 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.570 7.165 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.538 8.774 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.151 9.445 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.782 10.107 -0.741 1.00 0.00 H new ATOM 1609 N SER A 99 3.707 11.280 3.055 1.00 0.00 N ATOM 1610 CA SER A 99 2.795 11.665 4.124 1.00 0.00 C ATOM 1611 C SER A 99 1.972 10.466 4.569 1.00 0.00 C ATOM 1612 O SER A 99 1.442 9.742 3.725 1.00 0.00 O ATOM 1613 CB SER A 99 1.828 12.725 3.585 1.00 0.00 C ATOM 1614 OG SER A 99 1.871 13.916 4.336 1.00 0.00 O ATOM 0 H SER A 99 3.447 11.652 2.142 1.00 0.00 H new ATOM 0 HA SER A 99 3.374 12.048 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.074 12.944 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.813 12.327 3.596 1.00 0.00 H new ATOM 0 HG SER A 99 1.241 14.564 3.957 1.00 0.00 H new ATOM 1620 N LYS A 100 1.769 10.338 5.881 1.00 0.00 N ATOM 1621 CA LYS A 100 0.725 9.508 6.466 1.00 0.00 C ATOM 1622 C LYS A 100 -0.559 10.332 6.532 1.00 0.00 C ATOM 1623 O LYS A 100 -0.553 11.400 7.148 1.00 0.00 O ATOM 1624 CB LYS A 100 1.136 9.071 7.871 1.00 0.00 C ATOM 1625 CG LYS A 100 2.246 8.021 7.821 1.00 0.00 C ATOM 1626 CD LYS A 100 2.742 7.572 9.206 1.00 0.00 C ATOM 1627 CE LYS A 100 1.669 7.046 10.173 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.875 8.101 10.847 1.00 0.00 N ATOM 0 H LYS A 100 2.339 10.819 6.577 1.00 0.00 H new ATOM 0 HA LYS A 100 0.568 8.617 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.476 9.937 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.271 8.665 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.884 7.150 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.088 8.423 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.489 6.791 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.246 8.415 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.990 6.395 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.153 6.432 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.844 7.912 11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.316 9.028 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.093 8.104 10.466 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.637 9.846 5.919 1.00 0.00 N ATOM 1643 CA ILE A 101 -2.909 10.552 5.801 1.00 0.00 C ATOM 1644 C ILE A 101 -3.604 10.593 7.159 1.00 0.00 C ATOM 1645 O ILE A 101 -3.677 9.580 7.869 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.816 9.884 4.748 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.146 9.910 3.365 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.175 10.611 4.665 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -3.773 8.888 2.423 1.00 0.00 C ATOM 0 H ILE A 101 -1.649 8.926 5.479 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.712 11.572 5.471 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.977 8.850 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.236 10.907 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.081 9.704 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.802 10.126 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.670 10.569 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.014 11.652 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.276 8.933 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.660 7.889 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.833 9.111 2.298 1.00 0.00 H new ATOM 1661 N SER A 102 -4.225 11.728 7.465 1.00 0.00 N ATOM 1662 CA SER A 102 -4.971 11.955 8.688 1.00 0.00 C ATOM 1663 C SER A 102 -6.348 12.487 8.310 1.00 0.00 C ATOM 1664 O SER A 102 -6.432 13.547 7.693 1.00 0.00 O ATOM 1665 CB SER A 102 -4.240 12.959 9.594 1.00 0.00 C ATOM 1666 OG SER A 102 -2.845 13.053 9.340 1.00 0.00 O ATOM 0 H SER A 102 -4.220 12.538 6.845 1.00 0.00 H new ATOM 0 HA SER A 102 -5.066 11.021 9.242 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.690 13.944 9.466 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.392 12.672 10.635 1.00 0.00 H new ATOM 0 HG SER A 102 -2.445 13.709 9.949 1.00 0.00 H new ATOM 1672 N ASN A 103 -7.403 11.774 8.708 1.00 0.00 N ATOM 1673 CA ASN A 103 -8.797 12.230 8.696 1.00 0.00 C ATOM 1674 C ASN A 103 -9.235 12.731 7.303 1.00 0.00 C ATOM 1675 O ASN A 103 -9.302 13.943 7.076 1.00 0.00 O ATOM 1676 CB ASN A 103 -9.110 13.242 9.802 1.00 0.00 C ATOM 1677 CG ASN A 103 -8.308 13.055 11.075 1.00 0.00 C ATOM 1678 OD1 ASN A 103 -8.490 12.080 11.802 1.00 0.00 O ATOM 1679 ND2 ASN A 103 -7.378 13.960 11.343 1.00 0.00 N ATOM 0 H ASN A 103 -7.307 10.823 9.063 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.400 11.350 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.930 14.246 9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.171 13.179 10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.790 13.858 12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.250 14.759 10.722 1.00 0.00 H new ATOM 1686 N PRO A 104 -9.497 11.816 6.366 1.00 0.00 N ATOM 1687 CA PRO A 104 -10.117 12.130 5.081 1.00 0.00 C ATOM 1688 C PRO A 104 -11.554 12.621 5.261 1.00 0.00 C ATOM 1689 O PRO A 104 -12.123 12.408 6.352 1.00 0.00 O ATOM 1690 CB PRO A 104 -10.118 10.811 4.312 1.00 0.00 C ATOM 1691 CG PRO A 104 -10.249 9.781 5.440 1.00 0.00 C ATOM 1692 CD PRO A 104 -9.454 10.388 6.582 1.00 0.00 C ATOM 0 HA PRO A 104 -9.577 12.923 4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.947 10.751 3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.201 10.673 3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -11.291 9.623 5.718 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.848 8.812 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.888 10.124 7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.427 10.022 6.583 1.00 0.00 H new TER 1700 PRO A 104