USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 64 ASN : amide:sc= -5.73! C(o=-5.5!,f=-12!) USER MOD Set 1.2: A 87 GLN : amide:sc= 0.228 K(o=-5.5,f=-13) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -6.81! C(o=-8.5!,f=-13!) USER MOD Set 2.2: A 51 TYR OH : rot -8:sc= -1.72 USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 ASN : amide:sc= -1.33! C(o=-1.3!,f=-3.3!) USER MOD Set 4.1: A 22 SER OG : rot -98:sc= 0.783 USER MOD Set 4.2: A 25 GLN :FLIP amide:sc= -0.274 F(o=-6.9!,f=0.51) USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.953 (180deg=0.23) USER MOD Single : A 1 SER OG : rot 100:sc= -2.2! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 148:sc= -0.748 USER MOD Single : A 7 SER OG : rot -36:sc= -0.723 USER MOD Single : A 8 HIS : no HE2:sc= -3.3! C(o=-3.3!,f=-9.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 80:sc= -1.04 USER MOD Single : A 42 SER OG : rot 85:sc= 1.1 USER MOD Single : A 44 SER OG : rot 180:sc= -0.127 USER MOD Single : A 47 THR OG1 : rot 110:sc= -3.01 USER MOD Single : A 53 ASN : amide:sc= -1.75! C(o=-1.8!,f=-9.6!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.549 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 173:sc= -2.81! (180deg=-2.96!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 63:sc= -1.91! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.05! C(o=-4.1!,f=-7.8!) USER MOD Single : A 82 SER OG : rot 46:sc= -0.297! USER MOD Single : A 85 CYS SG : rot 180:sc= -4! USER MOD Single : A 90 MET CE :methyl -165:sc= -0.591 (180deg=-0.882) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.06 USER MOD Single : A 105 GLN : amide:sc= -2.35! X(o=-2.4!,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.992 -8.822 3.478 1.00 0.00 N ATOM 2 CA SER A 1 9.902 -9.605 2.830 1.00 0.00 C ATOM 3 C SER A 1 9.803 -9.200 1.360 1.00 0.00 C ATOM 4 O SER A 1 10.254 -8.142 0.966 1.00 0.00 O ATOM 5 CB SER A 1 8.572 -9.315 3.549 1.00 0.00 C ATOM 6 OG SER A 1 8.847 -8.726 4.813 1.00 0.00 O ATOM 0 H1 SER A 1 11.522 -9.437 4.129 1.00 0.00 H new ATOM 0 H2 SER A 1 11.636 -8.454 2.749 1.00 0.00 H new ATOM 0 H3 SER A 1 10.581 -8.028 4.010 1.00 0.00 H new ATOM 0 HA SER A 1 10.117 -10.672 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.957 -8.645 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.006 -10.237 3.679 1.00 0.00 H new ATOM 0 HG SER A 1 8.729 -7.755 4.754 1.00 0.00 H new ATOM 14 N LYS A 2 9.214 -10.026 0.536 1.00 0.00 N ATOM 15 CA LYS A 2 9.092 -9.671 -0.894 1.00 0.00 C ATOM 16 C LYS A 2 7.852 -8.808 -1.064 1.00 0.00 C ATOM 17 O LYS A 2 6.756 -9.227 -0.762 1.00 0.00 O ATOM 18 CB LYS A 2 8.941 -10.960 -1.723 1.00 0.00 C ATOM 19 CG LYS A 2 10.306 -11.420 -2.262 1.00 0.00 C ATOM 20 CD LYS A 2 10.667 -10.643 -3.534 1.00 0.00 C ATOM 21 CE LYS A 2 11.912 -11.266 -4.165 1.00 0.00 C ATOM 22 NZ LYS A 2 12.189 -10.607 -5.474 1.00 0.00 N ATOM 0 H LYS A 2 8.815 -10.928 0.798 1.00 0.00 H new ATOM 0 HA LYS A 2 9.976 -9.129 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.504 -11.746 -1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.256 -10.787 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.074 -11.267 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.278 -12.488 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.836 -10.668 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.851 -9.595 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.767 -11.150 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.763 -12.336 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.036 -11.031 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.376 -10.740 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.349 -9.590 -5.324 1.00 0.00 H new ATOM 36 N VAL A 3 8.005 -7.605 -1.517 1.00 0.00 N ATOM 37 CA VAL A 3 6.838 -6.700 -1.700 1.00 0.00 C ATOM 38 C VAL A 3 6.687 -6.416 -3.184 1.00 0.00 C ATOM 39 O VAL A 3 7.585 -5.916 -3.804 1.00 0.00 O ATOM 40 CB VAL A 3 7.148 -5.419 -0.911 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.145 -4.299 -1.208 1.00 0.00 C ATOM 42 CG2 VAL A 3 7.125 -5.742 0.592 1.00 0.00 C ATOM 0 H VAL A 3 8.904 -7.198 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 3 5.905 -7.134 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 3 8.133 -5.065 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.405 -3.414 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.174 -4.057 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.142 -4.628 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.344 -4.839 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.139 -6.115 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.876 -6.501 0.813 1.00 0.00 H new ATOM 52 N VAL A 4 5.556 -6.735 -3.756 1.00 0.00 N ATOM 53 CA VAL A 4 5.351 -6.491 -5.220 1.00 0.00 C ATOM 54 C VAL A 4 4.308 -5.394 -5.434 1.00 0.00 C ATOM 55 O VAL A 4 3.234 -5.416 -4.894 1.00 0.00 O ATOM 56 CB VAL A 4 4.894 -7.789 -5.876 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.458 -7.530 -7.319 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.046 -8.796 -5.863 1.00 0.00 C ATOM 0 H VAL A 4 4.762 -7.155 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 4 6.287 -6.162 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 4 4.047 -8.189 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.134 -8.466 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.633 -6.818 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.296 -7.122 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.722 -9.725 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.893 -8.387 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.345 -8.994 -4.834 1.00 0.00 H new ATOM 68 N TYR A 5 4.637 -4.461 -6.274 1.00 0.00 N ATOM 69 CA TYR A 5 3.711 -3.352 -6.621 1.00 0.00 C ATOM 70 C TYR A 5 3.219 -3.573 -8.046 1.00 0.00 C ATOM 71 O TYR A 5 3.990 -3.538 -8.987 1.00 0.00 O ATOM 72 CB TYR A 5 4.449 -2.015 -6.568 1.00 0.00 C ATOM 73 CG TYR A 5 4.773 -1.660 -5.134 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.915 -2.186 -4.535 1.00 0.00 C ATOM 75 CD2 TYR A 5 3.945 -0.786 -4.420 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.236 -1.839 -3.217 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.267 -0.444 -3.100 1.00 0.00 C ATOM 78 CZ TYR A 5 5.418 -0.969 -2.502 1.00 0.00 C ATOM 79 OH TYR A 5 5.753 -0.626 -1.206 1.00 0.00 O ATOM 0 H TYR A 5 5.538 -4.419 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 5 2.881 -3.335 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.367 -2.073 -7.153 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.835 -1.233 -7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.553 -2.861 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.061 -0.376 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.122 -2.248 -2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.627 0.225 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 5 5.454 0.289 -1.022 1.00 0.00 H new ATOM 89 N VAL A 6 1.941 -3.759 -8.226 1.00 0.00 N ATOM 90 CA VAL A 6 1.395 -3.936 -9.602 1.00 0.00 C ATOM 91 C VAL A 6 0.820 -2.585 -10.006 1.00 0.00 C ATOM 92 O VAL A 6 -0.155 -2.119 -9.462 1.00 0.00 O ATOM 93 CB VAL A 6 0.323 -5.022 -9.608 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.352 -5.079 -10.980 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.984 -6.371 -9.297 1.00 0.00 C ATOM 0 H VAL A 6 1.249 -3.796 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 6 2.164 -4.253 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.433 -4.798 -8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.116 -5.856 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.814 -4.116 -11.198 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.393 -5.305 -11.743 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.228 -7.156 -9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.736 -6.591 -10.055 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.459 -6.326 -8.317 1.00 0.00 H new ATOM 105 N SER A 7 1.466 -1.938 -10.923 1.00 0.00 N ATOM 106 CA SER A 7 1.024 -0.585 -11.333 1.00 0.00 C ATOM 107 C SER A 7 -0.213 -0.649 -12.219 1.00 0.00 C ATOM 108 O SER A 7 -0.766 -1.699 -12.486 1.00 0.00 O ATOM 109 CB SER A 7 2.154 0.103 -12.094 1.00 0.00 C ATOM 110 OG SER A 7 2.212 -0.411 -13.418 1.00 0.00 O ATOM 0 H SER A 7 2.289 -2.291 -11.411 1.00 0.00 H new ATOM 0 HA SER A 7 0.771 -0.021 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.989 1.180 -12.117 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.104 -0.063 -11.586 1.00 0.00 H new ATOM 0 HG SER A 7 1.997 -1.367 -13.408 1.00 0.00 H new ATOM 116 N HIS A 8 -0.634 0.492 -12.670 1.00 0.00 N ATOM 117 CA HIS A 8 -1.829 0.572 -13.550 1.00 0.00 C ATOM 118 C HIS A 8 -1.385 0.211 -14.970 1.00 0.00 C ATOM 119 O HIS A 8 -2.017 -0.572 -15.650 1.00 0.00 O ATOM 120 CB HIS A 8 -2.438 2.006 -13.504 1.00 0.00 C ATOM 121 CG HIS A 8 -1.545 2.937 -12.715 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.025 2.597 -11.470 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.078 4.201 -12.983 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.285 3.636 -11.042 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.286 4.636 -11.928 1.00 0.00 N ATOM 0 H HIS A 8 -0.195 1.389 -12.464 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.601 -0.120 -13.214 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.564 2.386 -14.518 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.429 1.972 -13.051 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -1.177 1.720 -10.972 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.293 4.769 -13.876 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.243 3.659 -10.100 1.00 0.00 H new ATOM 134 N ASP A 9 -0.300 0.779 -15.419 1.00 0.00 N ATOM 135 CA ASP A 9 0.188 0.470 -16.787 1.00 0.00 C ATOM 136 C ASP A 9 0.546 -1.022 -16.882 1.00 0.00 C ATOM 137 O ASP A 9 0.831 -1.527 -17.951 1.00 0.00 O ATOM 138 CB ASP A 9 1.423 1.329 -17.094 1.00 0.00 C ATOM 139 CG ASP A 9 2.237 1.533 -15.813 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.683 2.058 -14.862 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.399 1.164 -15.810 1.00 0.00 O ATOM 0 H ASP A 9 0.269 1.444 -14.895 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.593 0.694 -17.514 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.036 0.844 -17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.116 2.293 -17.500 1.00 0.00 H new ATOM 146 N GLY A 10 0.522 -1.737 -15.784 1.00 0.00 N ATOM 147 CA GLY A 10 0.846 -3.202 -15.819 1.00 0.00 C ATOM 148 C GLY A 10 2.298 -3.454 -15.383 1.00 0.00 C ATOM 149 O GLY A 10 2.700 -4.582 -15.174 1.00 0.00 O ATOM 0 H GLY A 10 0.291 -1.370 -14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.166 -3.745 -15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.693 -3.588 -16.827 1.00 0.00 H new ATOM 153 N THR A 11 3.097 -2.427 -15.267 1.00 0.00 N ATOM 154 CA THR A 11 4.521 -2.639 -14.876 1.00 0.00 C ATOM 155 C THR A 11 4.610 -3.101 -13.405 1.00 0.00 C ATOM 156 O THR A 11 3.987 -2.553 -12.524 1.00 0.00 O ATOM 157 CB THR A 11 5.321 -1.345 -15.123 1.00 0.00 C ATOM 158 OG1 THR A 11 6.596 -1.681 -15.645 1.00 0.00 O ATOM 159 CG2 THR A 11 5.514 -0.536 -13.838 1.00 0.00 C ATOM 0 H THR A 11 2.828 -1.456 -15.425 1.00 0.00 H new ATOM 0 HA THR A 11 4.958 -3.428 -15.489 1.00 0.00 H new ATOM 0 HB THR A 11 4.757 -0.734 -15.827 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.110 -0.862 -15.806 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.083 0.367 -14.059 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.541 -0.262 -13.431 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.056 -1.137 -13.108 1.00 0.00 H new ATOM 167 N ARG A 12 5.367 -4.136 -13.180 1.00 0.00 N ATOM 168 CA ARG A 12 5.509 -4.700 -11.796 1.00 0.00 C ATOM 169 C ARG A 12 6.856 -4.300 -11.175 1.00 0.00 C ATOM 170 O ARG A 12 7.890 -4.407 -11.804 1.00 0.00 O ATOM 171 CB ARG A 12 5.436 -6.227 -11.865 1.00 0.00 C ATOM 172 CG ARG A 12 4.155 -6.647 -12.603 1.00 0.00 C ATOM 173 CD ARG A 12 4.163 -8.163 -12.900 1.00 0.00 C ATOM 174 NE ARG A 12 2.950 -8.774 -12.277 1.00 0.00 N ATOM 175 CZ ARG A 12 2.322 -9.772 -12.856 1.00 0.00 C ATOM 176 NH1 ARG A 12 2.651 -10.181 -14.056 1.00 0.00 N ATOM 177 NH2 ARG A 12 1.340 -10.348 -12.224 1.00 0.00 N ATOM 0 H ARG A 12 5.902 -4.625 -13.898 1.00 0.00 H new ATOM 0 HA ARG A 12 4.703 -4.303 -11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.311 -6.620 -12.382 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.443 -6.648 -10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.283 -6.395 -11.999 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.068 -6.090 -13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.166 -8.338 -13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.067 -8.623 -12.500 1.00 0.00 H new ATOM 0 HE ARG A 12 2.604 -8.411 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.409 -9.722 -14.561 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.149 -10.958 -14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.070 -10.023 -11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.840 -11.125 -12.657 1.00 0.00 H new ATOM 191 N ARG A 13 6.849 -3.841 -9.939 1.00 0.00 N ATOM 192 CA ARG A 13 8.116 -3.431 -9.249 1.00 0.00 C ATOM 193 C ARG A 13 8.183 -4.183 -7.914 1.00 0.00 C ATOM 194 O ARG A 13 7.292 -4.063 -7.099 1.00 0.00 O ATOM 195 CB ARG A 13 8.058 -1.906 -8.977 1.00 0.00 C ATOM 196 CG ARG A 13 9.413 -1.202 -9.280 1.00 0.00 C ATOM 197 CD ARG A 13 9.343 -0.436 -10.610 1.00 0.00 C ATOM 198 NE ARG A 13 8.765 0.919 -10.343 1.00 0.00 N ATOM 199 CZ ARG A 13 7.820 1.432 -11.099 1.00 0.00 C ATOM 200 NH1 ARG A 13 7.426 0.834 -12.190 1.00 0.00 N ATOM 201 NH2 ARG A 13 7.294 2.580 -10.762 1.00 0.00 N ATOM 0 H ARG A 13 6.006 -3.733 -9.375 1.00 0.00 H new ATOM 0 HA ARG A 13 8.990 -3.660 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.274 -1.459 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.787 -1.735 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.660 -0.514 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.211 -1.943 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.337 -0.345 -11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.726 -0.977 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 13 9.115 1.460 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.853 -0.049 -12.470 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.691 1.249 -12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.618 3.063 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.560 2.993 -11.337 1.00 0.00 H new ATOM 215 N GLU A 14 9.208 -4.965 -7.695 1.00 0.00 N ATOM 216 CA GLU A 14 9.316 -5.744 -6.413 1.00 0.00 C ATOM 217 C GLU A 14 10.435 -5.178 -5.509 1.00 0.00 C ATOM 218 O GLU A 14 11.546 -4.959 -5.953 1.00 0.00 O ATOM 219 CB GLU A 14 9.635 -7.209 -6.753 1.00 0.00 C ATOM 220 CG GLU A 14 8.905 -7.606 -8.047 1.00 0.00 C ATOM 221 CD GLU A 14 9.695 -7.108 -9.264 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.800 -7.584 -9.458 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.180 -6.257 -9.965 1.00 0.00 O ATOM 0 H GLU A 14 9.980 -5.102 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 14 8.371 -5.668 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.710 -7.339 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.326 -7.859 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.792 -8.689 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.902 -7.180 -8.054 1.00 0.00 H new ATOM 230 N LEU A 15 10.148 -4.950 -4.243 1.00 0.00 N ATOM 231 CA LEU A 15 11.184 -4.411 -3.291 1.00 0.00 C ATOM 232 C LEU A 15 11.313 -5.321 -2.082 1.00 0.00 C ATOM 233 O LEU A 15 10.498 -6.180 -1.827 1.00 0.00 O ATOM 234 CB LEU A 15 10.764 -3.028 -2.720 1.00 0.00 C ATOM 235 CG LEU A 15 9.772 -2.338 -3.610 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.332 -1.037 -2.919 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.404 -2.010 -4.977 1.00 0.00 C ATOM 0 H LEU A 15 9.233 -5.116 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 15 12.113 -4.340 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.333 -3.160 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.647 -2.399 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 15 8.916 -2.991 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.610 -0.517 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.874 -1.272 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.201 -0.398 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.669 -1.510 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.263 -1.355 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.728 -2.933 -5.459 1.00 0.00 H new ATOM 249 N ASP A 16 12.302 -5.042 -1.293 1.00 0.00 N ATOM 250 CA ASP A 16 12.497 -5.767 -0.028 1.00 0.00 C ATOM 251 C ASP A 16 12.127 -4.762 1.057 1.00 0.00 C ATOM 252 O ASP A 16 12.802 -3.766 1.233 1.00 0.00 O ATOM 253 CB ASP A 16 13.964 -6.183 0.105 1.00 0.00 C ATOM 254 CG ASP A 16 14.110 -7.175 1.263 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.122 -7.802 1.612 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.209 -7.295 1.778 1.00 0.00 O ATOM 0 H ASP A 16 12.999 -4.322 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 16 11.896 -6.674 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.310 -6.638 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.587 -5.306 0.282 1.00 0.00 H new ATOM 261 N VAL A 17 11.083 -5.011 1.808 1.00 0.00 N ATOM 262 CA VAL A 17 10.678 -4.074 2.910 1.00 0.00 C ATOM 263 C VAL A 17 10.932 -4.798 4.235 1.00 0.00 C ATOM 264 O VAL A 17 10.440 -5.885 4.471 1.00 0.00 O ATOM 265 CB VAL A 17 9.193 -3.705 2.705 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.762 -2.556 3.635 1.00 0.00 C ATOM 267 CG2 VAL A 17 9.031 -3.270 1.252 1.00 0.00 C ATOM 0 H VAL A 17 10.486 -5.831 1.706 1.00 0.00 H new ATOM 0 HA VAL A 17 11.248 -3.145 2.911 1.00 0.00 H new ATOM 0 HB VAL A 17 8.567 -4.566 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.711 -2.323 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.902 -2.856 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.368 -1.674 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.991 -3.000 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.670 -2.409 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.316 -4.090 0.593 1.00 0.00 H new ATOM 277 N ALA A 18 11.749 -4.221 5.075 1.00 0.00 N ATOM 278 CA ALA A 18 12.106 -4.886 6.357 1.00 0.00 C ATOM 279 C ALA A 18 10.907 -4.942 7.310 1.00 0.00 C ATOM 280 O ALA A 18 9.929 -4.240 7.153 1.00 0.00 O ATOM 281 CB ALA A 18 13.268 -4.122 7.024 1.00 0.00 C ATOM 0 H ALA A 18 12.186 -3.312 4.925 1.00 0.00 H new ATOM 0 HA ALA A 18 12.410 -5.910 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.531 -4.608 7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.133 -4.123 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.963 -3.094 7.220 1.00 0.00 H new ATOM 287 N ASP A 19 11.005 -5.785 8.297 1.00 0.00 N ATOM 288 CA ASP A 19 9.917 -5.928 9.290 1.00 0.00 C ATOM 289 C ASP A 19 9.697 -4.601 9.995 1.00 0.00 C ATOM 290 O ASP A 19 10.619 -3.885 10.330 1.00 0.00 O ATOM 291 CB ASP A 19 10.308 -6.988 10.318 1.00 0.00 C ATOM 292 CG ASP A 19 11.750 -6.753 10.771 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.638 -6.901 9.945 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.939 -6.430 11.930 1.00 0.00 O ATOM 0 H ASP A 19 11.810 -6.391 8.457 1.00 0.00 H new ATOM 0 HA ASP A 19 8.999 -6.228 8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.635 -6.945 11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.209 -7.983 9.885 1.00 0.00 H new ATOM 299 N GLY A 20 8.468 -4.292 10.232 1.00 0.00 N ATOM 300 CA GLY A 20 8.139 -3.025 10.931 1.00 0.00 C ATOM 301 C GLY A 20 8.170 -1.844 9.964 1.00 0.00 C ATOM 302 O GLY A 20 7.886 -0.729 10.351 1.00 0.00 O ATOM 0 H GLY A 20 7.665 -4.864 9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.151 -3.102 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.850 -2.856 11.740 1.00 0.00 H new ATOM 306 N VAL A 21 8.518 -2.039 8.707 1.00 0.00 N ATOM 307 CA VAL A 21 8.565 -0.878 7.766 1.00 0.00 C ATOM 308 C VAL A 21 7.239 -0.783 7.023 1.00 0.00 C ATOM 309 O VAL A 21 6.588 -1.776 6.761 1.00 0.00 O ATOM 310 CB VAL A 21 9.664 -1.093 6.721 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.765 0.128 5.823 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.015 -1.345 7.383 1.00 0.00 C ATOM 0 H VAL A 21 8.767 -2.941 8.302 1.00 0.00 H new ATOM 0 HA VAL A 21 8.761 0.028 8.339 1.00 0.00 H new ATOM 0 HB VAL A 21 9.400 -1.970 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.548 -0.030 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.813 0.287 5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.007 1.004 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.774 -1.494 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.284 -0.487 7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.953 -2.235 8.009 1.00 0.00 H new ATOM 322 N SER A 22 6.840 0.402 6.660 1.00 0.00 N ATOM 323 CA SER A 22 5.562 0.562 5.910 1.00 0.00 C ATOM 324 C SER A 22 5.862 0.604 4.410 1.00 0.00 C ATOM 325 O SER A 22 6.872 1.126 3.988 1.00 0.00 O ATOM 326 CB SER A 22 4.891 1.868 6.336 1.00 0.00 C ATOM 327 OG SER A 22 5.548 2.955 5.698 1.00 0.00 O ATOM 0 H SER A 22 7.343 1.269 6.850 1.00 0.00 H new ATOM 0 HA SER A 22 4.898 -0.275 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.835 1.855 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.941 1.981 7.419 1.00 0.00 H new ATOM 0 HG SER A 22 6.200 3.350 6.314 1.00 0.00 H new ATOM 333 N LEU A 23 4.983 0.075 3.606 1.00 0.00 N ATOM 334 CA LEU A 23 5.206 0.098 2.136 1.00 0.00 C ATOM 335 C LEU A 23 5.438 1.543 1.693 1.00 0.00 C ATOM 336 O LEU A 23 5.837 1.816 0.577 1.00 0.00 O ATOM 337 CB LEU A 23 3.959 -0.443 1.442 1.00 0.00 C ATOM 338 CG LEU A 23 3.596 -1.824 2.005 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.452 -2.421 1.186 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.815 -2.759 1.948 1.00 0.00 C ATOM 0 H LEU A 23 4.117 -0.373 3.906 1.00 0.00 H new ATOM 0 HA LEU A 23 6.071 -0.512 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.127 0.246 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.133 -0.514 0.368 1.00 0.00 H new ATOM 0 HG LEU A 23 3.285 -1.714 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.193 -3.402 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.583 -1.765 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.763 -2.522 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.544 -3.735 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.140 -2.870 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.626 -2.335 2.540 1.00 0.00 H new ATOM 352 N MET A 24 5.189 2.467 2.580 1.00 0.00 N ATOM 353 CA MET A 24 5.387 3.904 2.250 1.00 0.00 C ATOM 354 C MET A 24 6.863 4.250 2.470 1.00 0.00 C ATOM 355 O MET A 24 7.437 5.064 1.775 1.00 0.00 O ATOM 356 CB MET A 24 4.471 4.723 3.188 1.00 0.00 C ATOM 357 CG MET A 24 5.060 6.105 3.509 1.00 0.00 C ATOM 358 SD MET A 24 5.530 6.955 1.986 1.00 0.00 S ATOM 359 CE MET A 24 5.373 8.643 2.617 1.00 0.00 C ATOM 0 H MET A 24 4.854 2.285 3.526 1.00 0.00 H new ATOM 0 HA MET A 24 5.133 4.128 1.214 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.493 4.845 2.723 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.316 4.171 4.115 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.329 6.701 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.930 5.996 4.156 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.622 9.351 1.827 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.349 8.814 2.948 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.054 8.782 3.457 1.00 0.00 H new ATOM 369 N GLN A 25 7.478 3.634 3.438 1.00 0.00 N ATOM 370 CA GLN A 25 8.910 3.919 3.719 1.00 0.00 C ATOM 371 C GLN A 25 9.780 3.335 2.595 1.00 0.00 C ATOM 372 O GLN A 25 10.603 4.022 2.022 1.00 0.00 O ATOM 373 CB GLN A 25 9.288 3.286 5.073 1.00 0.00 C ATOM 374 CG GLN A 25 9.303 4.346 6.188 1.00 0.00 C ATOM 375 CD GLN A 25 7.993 5.135 6.157 1.00 0.00 C ATOM 376 OE1 GLN A 25 6.936 4.635 6.737 1.00 0.00 O flip ATOM 377 NE2 GLN A 25 7.931 6.215 5.611 1.00 0.00 N flip ATOM 0 H GLN A 25 7.047 2.941 4.050 1.00 0.00 H new ATOM 0 HA GLN A 25 9.076 4.995 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.576 2.499 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.269 2.816 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.429 3.867 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.149 5.020 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.757 6.606 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.053 6.734 5.605 1.00 0.00 H new ATOM 386 N ALA A 26 9.630 2.072 2.287 1.00 0.00 N ATOM 387 CA ALA A 26 10.485 1.464 1.215 1.00 0.00 C ATOM 388 C ALA A 26 10.114 1.967 -0.181 1.00 0.00 C ATOM 389 O ALA A 26 10.957 2.018 -1.060 1.00 0.00 O ATOM 390 CB ALA A 26 10.319 -0.051 1.254 1.00 0.00 C ATOM 0 H ALA A 26 8.961 1.439 2.724 1.00 0.00 H new ATOM 0 HA ALA A 26 11.518 1.755 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.936 -0.505 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.628 -0.426 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.274 -0.307 1.082 1.00 0.00 H new ATOM 396 N ALA A 27 8.888 2.330 -0.430 1.00 0.00 N ATOM 397 CA ALA A 27 8.533 2.807 -1.800 1.00 0.00 C ATOM 398 C ALA A 27 9.217 4.150 -2.085 1.00 0.00 C ATOM 399 O ALA A 27 9.898 4.306 -3.083 1.00 0.00 O ATOM 400 CB ALA A 27 7.020 2.977 -1.890 1.00 0.00 C ATOM 0 H ALA A 27 8.123 2.319 0.244 1.00 0.00 H new ATOM 0 HA ALA A 27 8.870 2.077 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.752 3.325 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.534 2.021 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.691 3.707 -1.150 1.00 0.00 H new ATOM 406 N VAL A 28 9.037 5.121 -1.234 1.00 0.00 N ATOM 407 CA VAL A 28 9.670 6.456 -1.466 1.00 0.00 C ATOM 408 C VAL A 28 11.166 6.279 -1.752 1.00 0.00 C ATOM 409 O VAL A 28 11.813 7.151 -2.290 1.00 0.00 O ATOM 410 CB VAL A 28 9.495 7.317 -0.206 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.316 8.604 -0.336 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.016 7.676 -0.028 1.00 0.00 C ATOM 0 H VAL A 28 8.477 5.050 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 28 9.196 6.940 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 28 9.841 6.753 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.187 9.210 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.370 8.353 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.976 9.166 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.895 8.287 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.670 8.234 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.430 6.763 0.074 1.00 0.00 H new ATOM 422 N SER A 29 11.722 5.171 -1.351 1.00 0.00 N ATOM 423 CA SER A 29 13.185 4.931 -1.552 1.00 0.00 C ATOM 424 C SER A 29 13.426 4.163 -2.841 1.00 0.00 C ATOM 425 O SER A 29 14.508 4.183 -3.395 1.00 0.00 O ATOM 426 CB SER A 29 13.686 4.102 -0.367 1.00 0.00 C ATOM 427 OG SER A 29 14.277 2.888 -0.817 1.00 0.00 O ATOM 0 H SER A 29 11.223 4.411 -0.887 1.00 0.00 H new ATOM 0 HA SER A 29 13.713 5.882 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.415 4.678 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.857 3.881 0.305 1.00 0.00 H new ATOM 0 HG SER A 29 14.593 2.372 -0.046 1.00 0.00 H new ATOM 433 N ASN A 30 12.422 3.499 -3.341 1.00 0.00 N ATOM 434 CA ASN A 30 12.581 2.748 -4.612 1.00 0.00 C ATOM 435 C ASN A 30 12.004 3.589 -5.742 1.00 0.00 C ATOM 436 O ASN A 30 11.877 3.130 -6.857 1.00 0.00 O ATOM 437 CB ASN A 30 11.809 1.437 -4.498 1.00 0.00 C ATOM 438 CG ASN A 30 12.642 0.404 -3.740 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.147 -0.537 -4.319 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.807 0.542 -2.451 1.00 0.00 N ATOM 0 H ASN A 30 11.494 3.445 -2.920 1.00 0.00 H new ATOM 0 HA ASN A 30 13.632 2.537 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.865 1.605 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.565 1.061 -5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.360 -0.140 -1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.383 1.332 -1.964 1.00 0.00 H new ATOM 447 N GLY A 31 11.710 4.839 -5.490 1.00 0.00 N ATOM 448 CA GLY A 31 11.205 5.708 -6.604 1.00 0.00 C ATOM 449 C GLY A 31 9.800 5.274 -7.021 1.00 0.00 C ATOM 450 O GLY A 31 9.469 5.307 -8.189 1.00 0.00 O ATOM 0 H GLY A 31 11.794 5.292 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.191 6.750 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.880 5.646 -7.457 1.00 0.00 H new ATOM 454 N ILE A 32 8.989 4.825 -6.101 1.00 0.00 N ATOM 455 CA ILE A 32 7.618 4.336 -6.467 1.00 0.00 C ATOM 456 C ILE A 32 6.525 5.204 -5.862 1.00 0.00 C ATOM 457 O ILE A 32 5.470 5.379 -6.438 1.00 0.00 O ATOM 458 CB ILE A 32 7.490 2.920 -5.923 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.443 2.012 -6.699 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.051 2.406 -6.058 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.638 0.720 -5.928 1.00 0.00 C ATOM 0 H ILE A 32 9.213 4.774 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 32 7.498 4.373 -7.550 1.00 0.00 H new ATOM 0 HB ILE A 32 7.746 2.919 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.039 1.801 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.401 2.510 -6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.988 1.393 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.378 3.057 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.763 2.403 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.317 0.068 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.060 0.941 -4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.677 0.221 -5.805 1.00 0.00 H new ATOM 473 N TYR A 33 6.732 5.692 -4.687 1.00 0.00 N ATOM 474 CA TYR A 33 5.667 6.480 -4.017 1.00 0.00 C ATOM 475 C TYR A 33 5.529 7.887 -4.619 1.00 0.00 C ATOM 476 O TYR A 33 4.882 8.710 -4.019 1.00 0.00 O ATOM 477 CB TYR A 33 5.985 6.552 -2.507 1.00 0.00 C ATOM 478 CG TYR A 33 4.800 6.080 -1.673 1.00 0.00 C ATOM 479 CD1 TYR A 33 4.240 4.815 -1.912 1.00 0.00 C ATOM 480 CD2 TYR A 33 4.274 6.901 -0.669 1.00 0.00 C ATOM 481 CE1 TYR A 33 3.155 4.377 -1.144 1.00 0.00 C ATOM 482 CE2 TYR A 33 3.188 6.462 0.092 1.00 0.00 C ATOM 483 CZ TYR A 33 2.629 5.199 -0.138 1.00 0.00 C ATOM 484 OH TYR A 33 1.561 4.767 0.616 1.00 0.00 O ATOM 0 H TYR A 33 7.594 5.583 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 33 4.709 5.984 -4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.857 5.936 -2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.240 7.576 -2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.646 4.181 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.707 7.873 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.723 3.404 -1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.778 7.100 0.861 1.00 0.00 H new ATOM 0 HH TYR A 33 1.879 4.157 1.314 1.00 0.00 H new ATOM 494 N ASP A 34 6.163 8.190 -5.740 1.00 0.00 N ATOM 495 CA ASP A 34 6.080 9.575 -6.335 1.00 0.00 C ATOM 496 C ASP A 34 4.623 10.068 -6.426 1.00 0.00 C ATOM 497 O ASP A 34 4.145 10.496 -7.458 1.00 0.00 O ATOM 498 CB ASP A 34 6.692 9.547 -7.735 1.00 0.00 C ATOM 499 CG ASP A 34 6.111 8.372 -8.523 1.00 0.00 C ATOM 500 OD1 ASP A 34 5.052 8.542 -9.101 1.00 0.00 O ATOM 501 OD2 ASP A 34 6.733 7.323 -8.525 1.00 0.00 O ATOM 0 H ASP A 34 6.737 7.533 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 34 6.626 10.261 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.485 10.484 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.776 9.453 -7.668 1.00 0.00 H new ATOM 506 N ILE A 35 3.954 10.014 -5.326 1.00 0.00 N ATOM 507 CA ILE A 35 2.540 10.474 -5.240 1.00 0.00 C ATOM 508 C ILE A 35 2.511 11.828 -4.526 1.00 0.00 C ATOM 509 O ILE A 35 2.500 12.864 -5.157 1.00 0.00 O ATOM 510 CB ILE A 35 1.704 9.450 -4.472 1.00 0.00 C ATOM 511 CG1 ILE A 35 1.917 8.060 -5.078 1.00 0.00 C ATOM 512 CG2 ILE A 35 0.228 9.825 -4.583 1.00 0.00 C ATOM 513 CD1 ILE A 35 1.074 7.029 -4.321 1.00 0.00 C ATOM 0 H ILE A 35 4.334 9.659 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 35 2.119 10.577 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 35 2.007 9.442 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.640 8.066 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.972 7.789 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.374 9.098 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.072 10.817 -4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.069 9.828 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.229 6.042 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.372 7.014 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.020 7.296 -4.395 1.00 0.00 H new ATOM 525 N VAL A 36 2.517 11.833 -3.224 1.00 0.00 N ATOM 526 CA VAL A 36 2.503 13.128 -2.484 1.00 0.00 C ATOM 527 C VAL A 36 2.705 12.860 -0.992 1.00 0.00 C ATOM 528 O VAL A 36 2.033 12.038 -0.399 1.00 0.00 O ATOM 529 CB VAL A 36 1.161 13.835 -2.701 1.00 0.00 C ATOM 530 CG1 VAL A 36 0.038 13.041 -2.033 1.00 0.00 C ATOM 531 CG2 VAL A 36 1.215 15.244 -2.107 1.00 0.00 C ATOM 0 H VAL A 36 2.531 10.998 -2.638 1.00 0.00 H new ATOM 0 HA VAL A 36 3.307 13.765 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 36 0.965 13.901 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.912 13.551 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.009 12.042 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.234 12.964 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.258 15.742 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.420 15.181 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.005 15.814 -2.595 1.00 0.00 H new ATOM 541 N GLY A 37 3.621 13.552 -0.376 1.00 0.00 N ATOM 542 CA GLY A 37 3.859 13.342 1.079 1.00 0.00 C ATOM 543 C GLY A 37 2.826 14.145 1.866 1.00 0.00 C ATOM 544 O GLY A 37 3.158 15.068 2.588 1.00 0.00 O ATOM 0 H GLY A 37 4.215 14.254 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.782 12.283 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.867 13.659 1.346 1.00 0.00 H new ATOM 548 N ASP A 38 1.572 13.809 1.732 1.00 0.00 N ATOM 549 CA ASP A 38 0.516 14.560 2.463 1.00 0.00 C ATOM 550 C ASP A 38 0.668 14.337 3.967 1.00 0.00 C ATOM 551 O ASP A 38 1.079 15.220 4.689 1.00 0.00 O ATOM 552 CB ASP A 38 -0.861 14.070 2.014 1.00 0.00 C ATOM 553 CG ASP A 38 -1.946 14.922 2.673 1.00 0.00 C ATOM 554 OD1 ASP A 38 -1.851 15.144 3.869 1.00 0.00 O ATOM 555 OD2 ASP A 38 -2.854 15.339 1.973 1.00 0.00 O ATOM 0 H ASP A 38 1.234 13.045 1.146 1.00 0.00 H new ATOM 0 HA ASP A 38 0.616 15.623 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.945 14.132 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.992 13.022 2.285 1.00 0.00 H new ATOM 560 N CYS A 39 0.341 13.161 4.447 1.00 0.00 N ATOM 561 CA CYS A 39 0.467 12.887 5.912 1.00 0.00 C ATOM 562 C CYS A 39 1.803 12.191 6.190 1.00 0.00 C ATOM 563 O CYS A 39 2.252 12.125 7.320 1.00 0.00 O ATOM 564 CB CYS A 39 -0.697 12.004 6.383 1.00 0.00 C ATOM 565 SG CYS A 39 -0.434 10.276 5.912 1.00 0.00 S ATOM 0 H CYS A 39 -0.007 12.381 3.889 1.00 0.00 H new ATOM 0 HA CYS A 39 0.434 13.829 6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.799 12.078 7.466 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.630 12.365 5.950 1.00 0.00 H new ATOM 570 N GLY A 40 2.448 11.685 5.180 1.00 0.00 N ATOM 571 CA GLY A 40 3.765 11.015 5.390 1.00 0.00 C ATOM 572 C GLY A 40 3.558 9.680 6.112 1.00 0.00 C ATOM 573 O GLY A 40 4.488 9.099 6.636 1.00 0.00 O ATOM 0 H GLY A 40 2.122 11.705 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.256 10.848 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.421 11.658 5.976 1.00 0.00 H new ATOM 577 N GLY A 41 2.348 9.189 6.138 1.00 0.00 N ATOM 578 CA GLY A 41 2.075 7.890 6.828 1.00 0.00 C ATOM 579 C GLY A 41 1.527 8.154 8.226 1.00 0.00 C ATOM 580 O GLY A 41 1.594 7.311 9.097 1.00 0.00 O ATOM 0 H GLY A 41 1.534 9.631 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.359 7.305 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.990 7.302 6.891 1.00 0.00 H new ATOM 584 N SER A 42 0.976 9.320 8.451 1.00 0.00 N ATOM 585 CA SER A 42 0.409 9.647 9.795 1.00 0.00 C ATOM 586 C SER A 42 -1.105 9.431 9.760 1.00 0.00 C ATOM 587 O SER A 42 -1.834 9.904 10.607 1.00 0.00 O ATOM 588 CB SER A 42 0.718 11.107 10.135 1.00 0.00 C ATOM 589 OG SER A 42 2.055 11.403 9.751 1.00 0.00 O ATOM 0 H SER A 42 0.894 10.064 7.758 1.00 0.00 H new ATOM 0 HA SER A 42 0.852 9.003 10.554 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.023 11.768 9.617 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.587 11.280 11.203 1.00 0.00 H new ATOM 0 HG SER A 42 2.075 11.657 8.805 1.00 0.00 H new ATOM 595 N ALA A 43 -1.579 8.710 8.776 1.00 0.00 N ATOM 596 CA ALA A 43 -3.042 8.444 8.668 1.00 0.00 C ATOM 597 C ALA A 43 -3.815 9.764 8.684 1.00 0.00 C ATOM 598 O ALA A 43 -4.558 10.045 9.604 1.00 0.00 O ATOM 599 CB ALA A 43 -3.495 7.568 9.834 1.00 0.00 C ATOM 0 H ALA A 43 -1.010 8.292 8.039 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.241 7.926 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.565 7.376 9.751 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.954 6.622 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.290 8.080 10.774 1.00 0.00 H new ATOM 605 N SER A 44 -3.655 10.577 7.666 1.00 0.00 N ATOM 606 CA SER A 44 -4.390 11.878 7.627 1.00 0.00 C ATOM 607 C SER A 44 -4.746 12.226 6.175 1.00 0.00 C ATOM 608 O SER A 44 -5.268 13.287 5.894 1.00 0.00 O ATOM 609 CB SER A 44 -3.512 12.983 8.238 1.00 0.00 C ATOM 610 OG SER A 44 -2.632 12.403 9.189 1.00 0.00 O ATOM 0 H SER A 44 -3.050 10.396 6.865 1.00 0.00 H new ATOM 0 HA SER A 44 -5.310 11.795 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.943 13.486 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.136 13.739 8.715 1.00 0.00 H new ATOM 0 HG SER A 44 -2.068 13.102 9.582 1.00 0.00 H new ATOM 616 N CYS A 45 -4.484 11.336 5.247 1.00 0.00 N ATOM 617 CA CYS A 45 -4.829 11.622 3.820 1.00 0.00 C ATOM 618 C CYS A 45 -5.290 10.323 3.151 1.00 0.00 C ATOM 619 O CYS A 45 -5.407 9.295 3.792 1.00 0.00 O ATOM 620 CB CYS A 45 -3.599 12.190 3.084 1.00 0.00 C ATOM 621 SG CYS A 45 -2.521 10.856 2.484 1.00 0.00 S ATOM 0 H CYS A 45 -4.049 10.429 5.416 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.630 12.360 3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.925 12.803 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.038 12.841 3.755 1.00 0.00 H new ATOM 626 N ALA A 46 -5.550 10.357 1.872 1.00 0.00 N ATOM 627 CA ALA A 46 -6.001 9.125 1.150 1.00 0.00 C ATOM 628 C ALA A 46 -5.320 9.068 -0.215 1.00 0.00 C ATOM 629 O ALA A 46 -5.861 8.542 -1.165 1.00 0.00 O ATOM 630 CB ALA A 46 -7.530 9.170 0.986 1.00 0.00 C ATOM 0 H ALA A 46 -5.470 11.190 1.289 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.731 8.234 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.866 8.276 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.000 9.212 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.809 10.054 0.412 1.00 0.00 H new ATOM 636 N THR A 47 -4.137 9.610 -0.320 1.00 0.00 N ATOM 637 CA THR A 47 -3.421 9.596 -1.621 1.00 0.00 C ATOM 638 C THR A 47 -2.824 8.207 -1.863 1.00 0.00 C ATOM 639 O THR A 47 -2.691 7.755 -2.983 1.00 0.00 O ATOM 640 CB THR A 47 -2.302 10.644 -1.585 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.755 10.789 -2.886 1.00 0.00 O ATOM 642 CG2 THR A 47 -1.199 10.205 -0.615 1.00 0.00 C ATOM 0 H THR A 47 -3.636 10.063 0.444 1.00 0.00 H new ATOM 0 HA THR A 47 -4.115 9.829 -2.428 1.00 0.00 H new ATOM 0 HB THR A 47 -2.714 11.595 -1.248 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.007 11.663 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.410 10.956 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.617 10.094 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.785 9.251 -0.942 1.00 0.00 H new ATOM 650 N CYS A 48 -2.465 7.533 -0.805 1.00 0.00 N ATOM 651 CA CYS A 48 -1.874 6.173 -0.939 1.00 0.00 C ATOM 652 C CYS A 48 -2.985 5.142 -1.193 1.00 0.00 C ATOM 653 O CYS A 48 -2.943 4.035 -0.702 1.00 0.00 O ATOM 654 CB CYS A 48 -1.131 5.827 0.346 1.00 0.00 C ATOM 655 SG CYS A 48 -2.218 6.150 1.755 1.00 0.00 S ATOM 0 H CYS A 48 -2.557 7.870 0.153 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.181 6.156 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.828 4.780 0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.221 6.422 0.427 1.00 0.00 H new ATOM 660 N HIS A 49 -3.984 5.510 -1.960 1.00 0.00 N ATOM 661 CA HIS A 49 -5.111 4.569 -2.253 1.00 0.00 C ATOM 662 C HIS A 49 -4.608 3.430 -3.157 1.00 0.00 C ATOM 663 O HIS A 49 -4.286 3.650 -4.310 1.00 0.00 O ATOM 664 CB HIS A 49 -6.217 5.367 -2.981 1.00 0.00 C ATOM 665 CG HIS A 49 -7.129 4.463 -3.788 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.170 3.721 -3.225 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.166 4.197 -5.123 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.777 3.056 -4.244 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.199 3.317 -5.406 1.00 0.00 N ATOM 0 H HIS A 49 -4.067 6.427 -2.398 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.500 4.137 -1.331 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.808 5.919 -2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.759 6.103 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.489 4.612 -5.855 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.624 2.398 -4.121 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.460 2.947 -6.320 1.00 0.00 H new ATOM 678 N VAL A 50 -4.572 2.209 -2.672 1.00 0.00 N ATOM 679 CA VAL A 50 -4.126 1.070 -3.535 1.00 0.00 C ATOM 680 C VAL A 50 -4.944 -0.164 -3.169 1.00 0.00 C ATOM 681 O VAL A 50 -5.770 -0.131 -2.284 1.00 0.00 O ATOM 682 CB VAL A 50 -2.616 0.782 -3.355 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.856 2.094 -3.169 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.370 -0.126 -2.139 1.00 0.00 C ATOM 0 H VAL A 50 -4.832 1.954 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.284 1.333 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.259 0.272 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.794 1.884 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.000 2.725 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.232 2.610 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.301 -0.313 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.742 0.363 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.892 -1.072 -2.280 1.00 0.00 H new ATOM 694 N TYR A 51 -4.732 -1.246 -3.865 1.00 0.00 N ATOM 695 CA TYR A 51 -5.493 -2.490 -3.601 1.00 0.00 C ATOM 696 C TYR A 51 -4.522 -3.609 -3.200 1.00 0.00 C ATOM 697 O TYR A 51 -3.674 -4.038 -3.955 1.00 0.00 O ATOM 698 CB TYR A 51 -6.228 -2.835 -4.883 1.00 0.00 C ATOM 699 CG TYR A 51 -7.196 -1.718 -5.209 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.332 -1.483 -4.414 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.946 -0.891 -6.313 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.200 -0.433 -4.730 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.817 0.143 -6.618 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.934 0.376 -5.837 1.00 0.00 C ATOM 705 OH TYR A 51 -9.771 1.408 -6.174 1.00 0.00 O ATOM 0 H TYR A 51 -4.049 -1.317 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.203 -2.364 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.519 -2.969 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.764 -3.777 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.534 -2.113 -3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.073 -1.060 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.072 -0.248 -4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.621 0.773 -7.474 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.574 1.374 -5.614 1.00 0.00 H new ATOM 715 N VAL A 52 -4.670 -4.070 -1.990 1.00 0.00 N ATOM 716 CA VAL A 52 -3.795 -5.163 -1.472 1.00 0.00 C ATOM 717 C VAL A 52 -4.429 -6.509 -1.807 1.00 0.00 C ATOM 718 O VAL A 52 -5.595 -6.729 -1.555 1.00 0.00 O ATOM 719 CB VAL A 52 -3.652 -5.052 0.056 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.471 -5.905 0.524 1.00 0.00 C ATOM 721 CG2 VAL A 52 -3.411 -3.594 0.464 1.00 0.00 C ATOM 0 H VAL A 52 -5.369 -3.733 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.811 -5.078 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.573 -5.406 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.371 -5.825 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.643 -6.946 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.556 -5.552 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.312 -3.531 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.497 -3.231 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.253 -2.982 0.141 1.00 0.00 H new ATOM 731 N ASN A 53 -3.681 -7.425 -2.357 1.00 0.00 N ATOM 732 CA ASN A 53 -4.280 -8.750 -2.679 1.00 0.00 C ATOM 733 C ASN A 53 -4.990 -9.272 -1.421 1.00 0.00 C ATOM 734 O ASN A 53 -4.396 -9.412 -0.379 1.00 0.00 O ATOM 735 CB ASN A 53 -3.180 -9.713 -3.125 1.00 0.00 C ATOM 736 CG ASN A 53 -3.675 -11.160 -3.108 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.845 -11.417 -2.901 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.820 -12.124 -3.313 1.00 0.00 N ATOM 0 H ASN A 53 -2.695 -7.317 -2.595 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.001 -8.662 -3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.848 -9.451 -4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.316 -9.613 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.133 -13.095 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.839 -11.907 -3.487 1.00 0.00 H new ATOM 745 N GLU A 54 -6.271 -9.510 -1.517 1.00 0.00 N ATOM 746 CA GLU A 54 -7.060 -9.979 -0.333 1.00 0.00 C ATOM 747 C GLU A 54 -6.367 -11.145 0.378 1.00 0.00 C ATOM 748 O GLU A 54 -6.855 -11.627 1.384 1.00 0.00 O ATOM 749 CB GLU A 54 -8.439 -10.442 -0.809 1.00 0.00 C ATOM 750 CG GLU A 54 -8.277 -11.450 -1.949 1.00 0.00 C ATOM 751 CD GLU A 54 -9.623 -12.121 -2.240 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.125 -12.796 -1.355 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.129 -11.949 -3.335 1.00 0.00 O ATOM 0 H GLU A 54 -6.813 -9.399 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.146 -9.150 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.986 -10.897 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.024 -9.587 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.910 -10.946 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.535 -12.202 -1.680 1.00 0.00 H new ATOM 760 N ALA A 55 -5.255 -11.619 -0.111 1.00 0.00 N ATOM 761 CA ALA A 55 -4.577 -12.768 0.553 1.00 0.00 C ATOM 762 C ALA A 55 -3.625 -12.288 1.657 1.00 0.00 C ATOM 763 O ALA A 55 -3.180 -13.076 2.467 1.00 0.00 O ATOM 764 CB ALA A 55 -3.782 -13.560 -0.480 1.00 0.00 C ATOM 0 H ALA A 55 -4.786 -11.260 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.344 -13.398 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.287 -14.400 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.457 -13.934 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.033 -12.913 -0.937 1.00 0.00 H new ATOM 770 N PHE A 56 -3.291 -11.020 1.713 1.00 0.00 N ATOM 771 CA PHE A 56 -2.356 -10.507 2.770 1.00 0.00 C ATOM 772 C PHE A 56 -3.124 -9.510 3.643 1.00 0.00 C ATOM 773 O PHE A 56 -2.634 -9.013 4.629 1.00 0.00 O ATOM 774 CB PHE A 56 -1.209 -9.780 2.054 1.00 0.00 C ATOM 775 CG PHE A 56 -0.388 -10.783 1.271 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.916 -11.371 0.115 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.888 -11.145 1.709 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.170 -12.323 -0.588 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.634 -12.090 1.012 1.00 0.00 C ATOM 780 CZ PHE A 56 1.105 -12.685 -0.133 1.00 0.00 C ATOM 0 H PHE A 56 -3.630 -10.309 1.064 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.967 -11.315 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.609 -9.019 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.579 -9.267 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.899 -11.090 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.299 -10.687 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.576 -12.778 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.621 -12.362 1.357 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.679 -13.426 -0.670 1.00 0.00 H new ATOM 790 N THR A 57 -4.324 -9.213 3.246 1.00 0.00 N ATOM 791 CA THR A 57 -5.165 -8.235 4.000 1.00 0.00 C ATOM 792 C THR A 57 -5.625 -8.822 5.329 1.00 0.00 C ATOM 793 O THR A 57 -5.712 -8.129 6.327 1.00 0.00 O ATOM 794 CB THR A 57 -6.405 -7.907 3.165 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.982 -9.114 2.685 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.011 -7.026 1.990 1.00 0.00 C ATOM 0 H THR A 57 -4.770 -9.610 2.419 1.00 0.00 H new ATOM 0 HA THR A 57 -4.571 -7.342 4.193 1.00 0.00 H new ATOM 0 HB THR A 57 -7.130 -7.378 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.916 -8.954 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.895 -6.794 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.569 -6.101 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.285 -7.551 1.369 1.00 0.00 H new ATOM 804 N ASP A 58 -5.952 -10.085 5.357 1.00 0.00 N ATOM 805 CA ASP A 58 -6.443 -10.703 6.627 1.00 0.00 C ATOM 806 C ASP A 58 -5.279 -11.258 7.429 1.00 0.00 C ATOM 807 O ASP A 58 -5.466 -11.896 8.451 1.00 0.00 O ATOM 808 CB ASP A 58 -7.414 -11.835 6.284 1.00 0.00 C ATOM 809 CG ASP A 58 -6.650 -12.981 5.611 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.844 -12.700 4.739 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.886 -14.119 5.978 1.00 0.00 O ATOM 0 H ASP A 58 -5.901 -10.717 4.558 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.948 -9.944 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.905 -12.194 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.197 -11.468 5.621 1.00 0.00 H new ATOM 816 N LYS A 59 -4.081 -11.025 6.982 1.00 0.00 N ATOM 817 CA LYS A 59 -2.881 -11.538 7.701 1.00 0.00 C ATOM 818 C LYS A 59 -2.115 -10.349 8.281 1.00 0.00 C ATOM 819 O LYS A 59 -1.696 -10.357 9.428 1.00 0.00 O ATOM 820 CB LYS A 59 -2.018 -12.300 6.696 1.00 0.00 C ATOM 821 CG LYS A 59 -2.940 -13.000 5.675 1.00 0.00 C ATOM 822 CD LYS A 59 -2.161 -14.060 4.880 1.00 0.00 C ATOM 823 CE LYS A 59 -3.140 -15.065 4.241 1.00 0.00 C ATOM 824 NZ LYS A 59 -3.388 -16.181 5.198 1.00 0.00 N ATOM 0 H LYS A 59 -3.877 -10.493 6.136 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.160 -12.206 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.341 -11.615 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.399 -13.035 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.776 -13.469 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.361 -12.262 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.564 -13.579 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.468 -14.583 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.078 -14.569 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.726 -15.453 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.048 -16.863 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.490 -16.658 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.799 -15.802 6.075 1.00 0.00 H new ATOM 838 N VAL A 60 -1.934 -9.330 7.493 1.00 0.00 N ATOM 839 CA VAL A 60 -1.197 -8.126 7.978 1.00 0.00 C ATOM 840 C VAL A 60 -2.117 -7.398 8.991 1.00 0.00 C ATOM 841 O VAL A 60 -3.301 -7.664 9.041 1.00 0.00 O ATOM 842 CB VAL A 60 -0.800 -7.276 6.725 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.620 -5.974 6.631 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.743 -6.989 6.676 1.00 0.00 C ATOM 0 H VAL A 60 -2.265 -9.276 6.530 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.270 -8.355 8.503 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.044 -7.876 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.313 -5.414 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.680 -6.216 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.447 -5.370 7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.975 -6.397 5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.039 -6.439 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.287 -7.932 6.634 1.00 0.00 H new ATOM 854 N PRO A 61 -1.576 -6.550 9.836 1.00 0.00 N ATOM 855 CA PRO A 61 -2.374 -5.869 10.903 1.00 0.00 C ATOM 856 C PRO A 61 -3.576 -5.050 10.396 1.00 0.00 C ATOM 857 O PRO A 61 -3.439 -4.077 9.679 1.00 0.00 O ATOM 858 CB PRO A 61 -1.359 -4.982 11.658 1.00 0.00 C ATOM 859 CG PRO A 61 -0.103 -4.961 10.830 1.00 0.00 C ATOM 860 CD PRO A 61 -0.160 -6.150 9.859 1.00 0.00 C ATOM 0 HA PRO A 61 -2.846 -6.618 11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.751 -3.974 11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.160 -5.382 12.652 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.023 -4.023 10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.777 -5.032 11.469 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.187 -5.866 8.865 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.476 -6.968 10.197 1.00 0.00 H new ATOM 868 N ALA A 62 -4.754 -5.462 10.794 1.00 0.00 N ATOM 869 CA ALA A 62 -6.006 -4.779 10.415 1.00 0.00 C ATOM 870 C ALA A 62 -5.820 -3.272 10.442 1.00 0.00 C ATOM 871 O ALA A 62 -5.341 -2.691 11.400 1.00 0.00 O ATOM 872 CB ALA A 62 -7.104 -5.165 11.402 1.00 0.00 C ATOM 0 H ALA A 62 -4.892 -6.278 11.390 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.282 -5.082 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.032 -4.664 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.253 -6.244 11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.812 -4.863 12.408 1.00 0.00 H new ATOM 878 N ALA A 63 -6.207 -2.656 9.387 1.00 0.00 N ATOM 879 CA ALA A 63 -6.089 -1.175 9.272 1.00 0.00 C ATOM 880 C ALA A 63 -6.893 -0.485 10.381 1.00 0.00 C ATOM 881 O ALA A 63 -7.846 -1.023 10.916 1.00 0.00 O ATOM 882 CB ALA A 63 -6.620 -0.736 7.904 1.00 0.00 C ATOM 0 H ALA A 63 -6.612 -3.115 8.571 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.042 -0.891 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.537 0.347 7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.036 -1.213 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.665 -1.029 7.808 1.00 0.00 H new ATOM 888 N ASN A 64 -6.478 0.698 10.755 1.00 0.00 N ATOM 889 CA ASN A 64 -7.172 1.440 11.860 1.00 0.00 C ATOM 890 C ASN A 64 -8.380 2.218 11.312 1.00 0.00 C ATOM 891 O ASN A 64 -8.468 2.530 10.137 1.00 0.00 O ATOM 892 CB ASN A 64 -6.183 2.403 12.551 1.00 0.00 C ATOM 893 CG ASN A 64 -5.038 2.764 11.597 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.405 1.897 11.036 1.00 0.00 O ATOM 895 ND2 ASN A 64 -4.738 4.020 11.406 1.00 0.00 N ATOM 0 H ASN A 64 -5.684 1.188 10.342 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.533 0.718 12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.704 3.308 12.863 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.782 1.939 13.452 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.970 4.272 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.272 4.749 11.879 1.00 0.00 H new ATOM 902 N GLU A 65 -9.318 2.502 12.174 1.00 0.00 N ATOM 903 CA GLU A 65 -10.563 3.232 11.774 1.00 0.00 C ATOM 904 C GLU A 65 -10.247 4.614 11.197 1.00 0.00 C ATOM 905 O GLU A 65 -11.109 5.259 10.635 1.00 0.00 O ATOM 906 CB GLU A 65 -11.456 3.392 13.006 1.00 0.00 C ATOM 907 CG GLU A 65 -10.764 4.311 14.019 1.00 0.00 C ATOM 908 CD GLU A 65 -11.477 4.222 15.372 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.210 3.278 16.094 1.00 0.00 O ATOM 910 OE2 GLU A 65 -12.272 5.099 15.654 1.00 0.00 O ATOM 0 H GLU A 65 -9.275 2.254 13.163 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.068 2.653 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.420 3.810 12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.652 2.419 13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.718 4.024 14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.776 5.339 13.658 1.00 0.00 H new ATOM 917 N ARG A 66 -9.043 5.090 11.327 1.00 0.00 N ATOM 918 CA ARG A 66 -8.731 6.430 10.765 1.00 0.00 C ATOM 919 C ARG A 66 -8.679 6.322 9.238 1.00 0.00 C ATOM 920 O ARG A 66 -9.060 7.227 8.527 1.00 0.00 O ATOM 921 CB ARG A 66 -7.374 6.935 11.307 1.00 0.00 C ATOM 922 CG ARG A 66 -7.161 6.537 12.784 1.00 0.00 C ATOM 923 CD ARG A 66 -8.063 7.369 13.703 1.00 0.00 C ATOM 924 NE ARG A 66 -7.415 8.682 13.971 1.00 0.00 N ATOM 925 CZ ARG A 66 -7.966 9.523 14.803 1.00 0.00 C ATOM 926 NH1 ARG A 66 -9.002 9.159 15.512 1.00 0.00 N ATOM 927 NH2 ARG A 66 -7.460 10.719 14.945 1.00 0.00 N ATOM 0 H ARG A 66 -8.269 4.616 11.793 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.503 7.140 11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.566 6.526 10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.326 8.020 11.213 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.378 5.477 12.915 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.117 6.685 13.059 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.037 7.519 13.237 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.236 6.838 14.639 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.541 8.924 13.505 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.381 8.217 15.415 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.432 9.817 16.162 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.638 10.992 14.407 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.887 11.380 15.594 1.00 0.00 H new ATOM 941 N GLU A 67 -8.224 5.207 8.739 1.00 0.00 N ATOM 942 CA GLU A 67 -8.149 5.011 7.263 1.00 0.00 C ATOM 943 C GLU A 67 -9.557 4.824 6.690 1.00 0.00 C ATOM 944 O GLU A 67 -9.865 5.291 5.609 1.00 0.00 O ATOM 945 CB GLU A 67 -7.307 3.768 6.967 1.00 0.00 C ATOM 946 CG GLU A 67 -5.847 4.047 7.330 1.00 0.00 C ATOM 947 CD GLU A 67 -5.728 4.263 8.837 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.450 3.606 9.571 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.920 5.085 9.239 1.00 0.00 O ATOM 0 H GLU A 67 -7.898 4.416 9.295 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.692 5.887 6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.680 2.918 7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.387 3.503 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.219 3.212 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.491 4.928 6.797 1.00 0.00 H new ATOM 956 N ILE A 68 -10.415 4.148 7.407 1.00 0.00 N ATOM 957 CA ILE A 68 -11.804 3.936 6.907 1.00 0.00 C ATOM 958 C ILE A 68 -12.400 5.287 6.502 1.00 0.00 C ATOM 959 O ILE A 68 -13.081 5.404 5.501 1.00 0.00 O ATOM 960 CB ILE A 68 -12.639 3.286 8.031 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.365 1.774 8.073 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.139 3.509 7.792 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.856 1.506 8.112 1.00 0.00 C ATOM 0 H ILE A 68 -10.214 3.734 8.317 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.805 3.279 6.037 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.354 3.747 8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.842 1.336 8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.804 1.294 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.709 3.043 8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.349 4.578 7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.426 3.064 6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.678 0.431 8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.389 1.927 7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.427 1.969 9.001 1.00 0.00 H new ATOM 975 N GLY A 69 -12.157 6.306 7.279 1.00 0.00 N ATOM 976 CA GLY A 69 -12.721 7.646 6.933 1.00 0.00 C ATOM 977 C GLY A 69 -11.964 8.252 5.749 1.00 0.00 C ATOM 978 O GLY A 69 -12.534 8.965 4.951 1.00 0.00 O ATOM 0 H GLY A 69 -11.598 6.273 8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.778 7.550 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.653 8.310 7.795 1.00 0.00 H new ATOM 982 N MET A 70 -10.698 7.960 5.605 1.00 0.00 N ATOM 983 CA MET A 70 -9.946 8.509 4.441 1.00 0.00 C ATOM 984 C MET A 70 -10.283 7.643 3.229 1.00 0.00 C ATOM 985 O MET A 70 -10.383 8.116 2.120 1.00 0.00 O ATOM 986 CB MET A 70 -8.432 8.456 4.717 1.00 0.00 C ATOM 987 CG MET A 70 -7.994 9.685 5.532 1.00 0.00 C ATOM 988 SD MET A 70 -8.623 9.555 7.221 1.00 0.00 S ATOM 989 CE MET A 70 -7.125 8.888 7.998 1.00 0.00 C ATOM 0 H MET A 70 -10.157 7.370 6.237 1.00 0.00 H new ATOM 0 HA MET A 70 -10.222 9.548 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.186 7.544 5.261 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.885 8.422 3.775 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.906 9.756 5.544 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.368 10.595 5.064 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.262 8.849 9.079 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.936 7.883 7.620 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.276 9.530 7.763 1.00 0.00 H new ATOM 999 N LEU A 71 -10.472 6.371 3.460 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.818 5.453 2.344 1.00 0.00 C ATOM 1001 C LEU A 71 -12.093 5.957 1.665 1.00 0.00 C ATOM 1002 O LEU A 71 -12.293 5.775 0.489 1.00 0.00 O ATOM 1003 CB LEU A 71 -11.052 4.038 2.901 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.725 3.258 2.978 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.855 2.115 3.992 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.362 2.674 1.598 1.00 0.00 C ATOM 0 H LEU A 71 -10.401 5.930 4.377 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.004 5.423 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.501 4.101 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.758 3.503 2.265 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.938 3.943 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.915 1.566 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.090 2.525 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.652 1.441 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.422 2.126 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.152 1.998 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.255 3.484 0.877 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.967 6.578 2.397 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.225 7.078 1.781 1.00 0.00 C ATOM 1020 C GLU A 72 -13.945 8.424 1.107 1.00 0.00 C ATOM 1021 O GLU A 72 -14.767 8.961 0.392 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.273 7.243 2.894 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.488 8.017 2.376 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.970 7.407 1.049 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.115 6.196 0.998 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.182 8.161 0.119 1.00 0.00 O ATOM 0 H GLU A 72 -12.867 6.762 3.395 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.598 6.380 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.586 6.263 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.833 7.770 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.291 7.987 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.228 9.065 2.231 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.780 8.967 1.340 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.409 10.285 0.729 1.00 0.00 C ATOM 1035 C CYS A 73 -11.469 10.073 -0.462 1.00 0.00 C ATOM 1036 O CYS A 73 -10.876 11.011 -0.957 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.717 11.147 1.815 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.666 12.666 2.109 1.00 0.00 S ATOM 0 H CYS A 73 -12.060 8.553 1.932 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.303 10.792 0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.631 10.578 2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.704 11.398 1.500 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.075 13.377 3.023 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.312 8.863 -0.933 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.399 8.617 -2.095 1.00 0.00 C ATOM 1046 C VAL A 74 -11.065 9.045 -3.404 1.00 0.00 C ATOM 1047 O VAL A 74 -12.261 9.249 -3.472 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.121 7.121 -2.175 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.425 6.667 -0.884 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.461 6.355 -2.369 1.00 0.00 C ATOM 0 H VAL A 74 -11.776 8.033 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.482 9.189 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.470 6.907 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.224 5.597 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.486 7.208 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.071 6.874 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.263 5.285 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.121 6.557 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.939 6.686 -3.291 1.00 0.00 H new ATOM 1060 N THR A 75 -10.287 9.195 -4.438 1.00 0.00 N ATOM 1061 CA THR A 75 -10.850 9.626 -5.749 1.00 0.00 C ATOM 1062 C THR A 75 -11.189 8.424 -6.647 1.00 0.00 C ATOM 1063 O THR A 75 -11.946 8.560 -7.587 1.00 0.00 O ATOM 1064 CB THR A 75 -9.817 10.500 -6.466 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.384 11.531 -5.591 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.444 11.118 -7.720 1.00 0.00 C ATOM 0 H THR A 75 -9.279 9.037 -4.432 1.00 0.00 H new ATOM 0 HA THR A 75 -11.770 10.179 -5.558 1.00 0.00 H new ATOM 0 HB THR A 75 -8.964 9.888 -6.757 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.938 11.134 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.706 11.739 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.773 10.325 -8.391 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.299 11.731 -7.435 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.639 7.251 -6.404 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.948 6.075 -7.286 1.00 0.00 C ATOM 1076 C ALA A 76 -12.026 5.188 -6.642 1.00 0.00 C ATOM 1077 O ALA A 76 -12.513 5.464 -5.568 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.664 5.255 -7.481 1.00 0.00 C ATOM 0 H ALA A 76 -9.994 7.060 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.320 6.433 -8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.874 4.397 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.902 5.878 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.304 4.907 -6.513 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.410 4.130 -7.320 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.468 3.215 -6.792 1.00 0.00 C ATOM 1086 C GLU A 77 -12.919 2.393 -5.619 1.00 0.00 C ATOM 1087 O GLU A 77 -11.892 1.772 -5.715 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.909 2.300 -7.966 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.802 0.797 -7.643 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.348 -0.017 -8.818 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -13.950 0.257 -9.939 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.155 -0.901 -8.578 1.00 0.00 O ATOM 0 H GLU A 77 -12.029 3.861 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.323 3.776 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.940 2.534 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.296 2.521 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.763 0.528 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.362 0.568 -6.736 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.598 2.379 -4.520 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.091 1.588 -3.363 1.00 0.00 C ATOM 1101 C LEU A 78 -13.469 0.126 -3.512 1.00 0.00 C ATOM 1102 O LEU A 78 -14.380 -0.248 -4.223 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.648 2.159 -2.052 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.610 1.966 -0.932 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.423 2.942 -1.127 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.270 2.182 0.433 1.00 0.00 C ATOM 0 H LEU A 78 -14.476 2.874 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.003 1.657 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.878 3.218 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.580 1.658 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.225 0.947 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.696 2.795 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.948 2.750 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.788 3.969 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.530 2.044 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.673 3.194 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.078 1.463 0.564 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.725 -0.694 -2.834 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.926 -2.158 -2.878 1.00 0.00 C ATOM 1120 C LYS A 79 -13.214 -2.637 -1.456 1.00 0.00 C ATOM 1121 O LYS A 79 -12.848 -1.984 -0.499 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.600 -2.753 -3.361 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.478 -2.666 -4.895 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.224 -3.820 -5.588 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.511 -5.161 -5.340 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.807 -6.087 -6.466 1.00 0.00 N ATOM 0 H LYS A 79 -11.959 -0.396 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.749 -2.450 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.769 -2.222 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.529 -3.794 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.880 -1.713 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.426 -2.689 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.247 -3.873 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.284 -3.628 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.436 -5.005 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.845 -5.596 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.327 -6.995 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.833 -6.243 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.467 -5.671 -7.356 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.840 -3.767 -1.285 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.119 -4.296 0.061 1.00 0.00 C ATOM 1142 C PRO A 80 -12.799 -4.510 0.810 1.00 0.00 C ATOM 1143 O PRO A 80 -12.716 -4.359 2.015 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.864 -5.624 -0.179 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.597 -5.975 -1.616 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.342 -4.654 -2.341 1.00 0.00 C ATOM 0 HA PRO A 80 -14.716 -3.620 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.502 -6.404 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.932 -5.515 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.735 -6.637 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.447 -6.500 -2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.614 -4.772 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.254 -4.263 -2.792 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.765 -4.862 0.081 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.426 -5.098 0.708 1.00 0.00 C ATOM 1156 C ASN A 81 -9.477 -3.928 0.376 1.00 0.00 C ATOM 1157 O ASN A 81 -8.272 -4.067 0.456 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.856 -6.438 0.167 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.822 -6.201 -0.948 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.651 -6.050 -0.674 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.211 -6.149 -2.186 1.00 0.00 N ATOM 0 H ASN A 81 -11.793 -4.997 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.523 -5.157 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.393 -6.993 0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.670 -7.053 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.531 -5.981 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.196 -6.276 -2.417 1.00 0.00 H new ATOM 1168 N SER A 82 -9.987 -2.777 0.024 1.00 0.00 N ATOM 1169 CA SER A 82 -9.083 -1.634 -0.280 1.00 0.00 C ATOM 1170 C SER A 82 -8.378 -1.207 0.997 1.00 0.00 C ATOM 1171 O SER A 82 -8.934 -1.284 2.075 1.00 0.00 O ATOM 1172 CB SER A 82 -9.901 -0.475 -0.827 1.00 0.00 C ATOM 1173 OG SER A 82 -9.369 -0.115 -2.082 1.00 0.00 O ATOM 0 H SER A 82 -10.984 -2.582 -0.065 1.00 0.00 H new ATOM 0 HA SER A 82 -8.344 -1.933 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.948 -0.762 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.866 0.372 -0.142 1.00 0.00 H new ATOM 0 HG SER A 82 -9.207 -0.923 -2.613 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.160 -0.776 0.892 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.405 -0.368 2.106 1.00 0.00 C ATOM 1181 C ARG A 83 -5.287 0.596 1.709 1.00 0.00 C ATOM 1182 O ARG A 83 -4.629 0.428 0.701 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.809 -1.641 2.762 1.00 0.00 C ATOM 1184 CG ARG A 83 -6.602 -2.029 4.035 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.389 -3.518 4.404 1.00 0.00 C ATOM 1186 NE ARG A 83 -5.747 -3.607 5.737 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.635 -4.762 6.334 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -6.224 -5.813 5.838 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -4.959 -4.858 7.448 1.00 0.00 N ATOM 0 H ARG A 83 -6.649 -0.687 0.014 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.064 0.135 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.830 -2.466 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.764 -1.468 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.288 -1.398 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.664 -1.841 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.345 -4.042 4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.765 -4.004 3.654 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.392 -2.764 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.773 -5.734 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.136 -6.715 6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.519 -4.030 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.871 -5.761 7.915 1.00 0.00 H new ATOM 1203 N LEU A 84 -5.057 1.592 2.514 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.973 2.552 2.211 1.00 0.00 C ATOM 1205 C LEU A 84 -2.645 1.801 2.295 1.00 0.00 C ATOM 1206 O LEU A 84 -2.519 0.826 3.007 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.031 3.704 3.218 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.060 4.752 2.754 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -6.392 4.077 2.419 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.290 5.780 3.871 1.00 0.00 C ATOM 0 H LEU A 84 -5.577 1.780 3.371 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.080 2.975 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.304 3.325 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.048 4.164 3.315 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.673 5.249 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.109 4.830 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.241 3.350 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.776 3.570 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.018 6.520 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.666 5.273 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.349 6.277 4.107 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.671 2.210 1.529 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.371 1.478 1.528 1.00 0.00 C ATOM 1224 C CYS A 85 0.579 1.998 2.614 1.00 0.00 C ATOM 1225 O CYS A 85 1.608 1.406 2.864 1.00 0.00 O ATOM 1226 CB CYS A 85 0.272 1.651 0.139 1.00 0.00 C ATOM 1227 SG CYS A 85 1.248 0.183 -0.267 1.00 0.00 S ATOM 0 H CYS A 85 -1.718 3.016 0.906 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.556 0.426 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.501 1.805 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.908 2.536 0.129 1.00 0.00 H new ATOM 0 HG CYS A 85 1.787 0.331 -1.440 1.00 0.00 H new ATOM 1233 N CYS A 86 0.276 3.095 3.262 1.00 0.00 N ATOM 1234 CA CYS A 86 1.222 3.613 4.312 1.00 0.00 C ATOM 1235 C CYS A 86 0.879 3.060 5.697 1.00 0.00 C ATOM 1236 O CYS A 86 1.728 2.995 6.566 1.00 0.00 O ATOM 1237 CB CYS A 86 1.182 5.144 4.340 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.408 5.717 4.983 1.00 0.00 S ATOM 0 H CYS A 86 -0.568 3.649 3.118 1.00 0.00 H new ATOM 0 HA CYS A 86 2.226 3.277 4.054 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.992 5.525 4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.339 5.537 3.336 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.344 2.663 5.933 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.707 2.123 7.285 1.00 0.00 C ATOM 1245 C GLN A 87 -0.536 0.597 7.308 1.00 0.00 C ATOM 1246 O GLN A 87 -1.071 -0.091 8.149 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.158 2.497 7.604 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.259 4.015 7.808 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.737 4.386 9.193 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.422 4.203 10.183 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.545 4.904 9.320 1.00 0.00 N ATOM 0 H GLN A 87 -1.106 2.687 5.255 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.048 2.556 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.813 2.184 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.491 1.975 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.683 4.533 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.295 4.337 7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.034 5.060 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.193 5.153 10.244 1.00 0.00 H new ATOM 1260 N ILE A 88 0.213 0.076 6.362 1.00 0.00 N ATOM 1261 CA ILE A 88 0.445 -1.411 6.286 1.00 0.00 C ATOM 1262 C ILE A 88 1.917 -1.730 6.596 1.00 0.00 C ATOM 1263 O ILE A 88 2.817 -1.171 6.009 1.00 0.00 O ATOM 1264 CB ILE A 88 0.057 -1.916 4.892 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.453 -1.683 4.652 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.388 -3.406 4.761 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.306 -2.356 5.737 1.00 0.00 C ATOM 0 H ILE A 88 0.678 0.618 5.633 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.174 -1.917 7.026 1.00 0.00 H new ATOM 0 HB ILE A 88 0.625 -1.364 4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.659 -0.613 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.732 -2.075 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.108 -3.755 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.457 -3.556 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.166 -3.969 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.361 -2.172 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.118 -3.430 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.045 -1.945 6.712 1.00 0.00 H new ATOM 1279 N ILE A 89 2.147 -2.617 7.537 1.00 0.00 N ATOM 1280 CA ILE A 89 3.544 -2.986 7.964 1.00 0.00 C ATOM 1281 C ILE A 89 3.971 -4.316 7.339 1.00 0.00 C ATOM 1282 O ILE A 89 3.323 -5.329 7.510 1.00 0.00 O ATOM 1283 CB ILE A 89 3.566 -3.157 9.482 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.004 -1.900 10.166 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.996 -3.413 9.970 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.756 -0.647 9.697 1.00 0.00 C ATOM 0 H ILE A 89 1.411 -3.113 8.040 1.00 0.00 H new ATOM 0 HA ILE A 89 4.223 -2.197 7.641 1.00 0.00 H new ATOM 0 HB ILE A 89 2.944 -4.014 9.741 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.943 -1.800 9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.091 -1.999 11.248 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.995 -3.533 11.053 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.382 -4.320 9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.630 -2.568 9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.343 0.232 10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.813 -0.742 9.947 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.647 -0.540 8.618 1.00 0.00 H new ATOM 1298 N MET A 90 5.049 -4.324 6.600 1.00 0.00 N ATOM 1299 CA MET A 90 5.484 -5.594 5.964 1.00 0.00 C ATOM 1300 C MET A 90 6.197 -6.491 6.976 1.00 0.00 C ATOM 1301 O MET A 90 6.740 -6.038 7.964 1.00 0.00 O ATOM 1302 CB MET A 90 6.420 -5.312 4.777 1.00 0.00 C ATOM 1303 CG MET A 90 6.384 -6.510 3.823 1.00 0.00 C ATOM 1304 SD MET A 90 4.761 -6.569 3.011 1.00 0.00 S ATOM 1305 CE MET A 90 4.161 -8.145 3.687 1.00 0.00 C ATOM 0 H MET A 90 5.639 -3.513 6.413 1.00 0.00 H new ATOM 0 HA MET A 90 4.594 -6.108 5.602 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.108 -4.406 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.437 -5.142 5.131 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.175 -6.422 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.564 -7.434 4.372 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.302 -8.486 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.955 -8.890 3.632 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.865 -8.006 4.727 1.00 0.00 H new ATOM 1315 N THR A 91 6.213 -7.765 6.697 1.00 0.00 N ATOM 1316 CA THR A 91 6.905 -8.737 7.590 1.00 0.00 C ATOM 1317 C THR A 91 7.433 -9.879 6.724 1.00 0.00 C ATOM 1318 O THR A 91 6.840 -10.206 5.716 1.00 0.00 O ATOM 1319 CB THR A 91 5.922 -9.299 8.618 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.735 -9.721 7.959 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.582 -8.226 9.646 1.00 0.00 C ATOM 0 H THR A 91 5.770 -8.179 5.877 1.00 0.00 H new ATOM 0 HA THR A 91 7.720 -8.242 8.118 1.00 0.00 H new ATOM 0 HB THR A 91 6.378 -10.150 9.125 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.106 -10.083 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.881 -8.631 10.376 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.492 -7.907 10.154 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.129 -7.371 9.144 1.00 0.00 H new ATOM 1329 N PRO A 92 8.534 -10.486 7.088 1.00 0.00 N ATOM 1330 CA PRO A 92 9.113 -11.599 6.287 1.00 0.00 C ATOM 1331 C PRO A 92 8.102 -12.732 6.089 1.00 0.00 C ATOM 1332 O PRO A 92 7.985 -13.296 5.024 1.00 0.00 O ATOM 1333 CB PRO A 92 10.333 -12.064 7.109 1.00 0.00 C ATOM 1334 CG PRO A 92 10.130 -11.492 8.478 1.00 0.00 C ATOM 1335 CD PRO A 92 9.346 -10.202 8.278 1.00 0.00 C ATOM 0 HA PRO A 92 9.389 -11.285 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.393 -13.152 7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.264 -11.707 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.583 -12.187 9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.085 -11.297 8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.725 -9.969 9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.006 -9.349 8.121 1.00 0.00 H new ATOM 1343 N GLU A 93 7.377 -13.078 7.118 1.00 0.00 N ATOM 1344 CA GLU A 93 6.388 -14.181 6.982 1.00 0.00 C ATOM 1345 C GLU A 93 5.392 -13.849 5.868 1.00 0.00 C ATOM 1346 O GLU A 93 4.956 -14.722 5.143 1.00 0.00 O ATOM 1347 CB GLU A 93 5.644 -14.378 8.305 1.00 0.00 C ATOM 1348 CG GLU A 93 5.309 -13.018 8.921 1.00 0.00 C ATOM 1349 CD GLU A 93 4.269 -13.205 10.031 1.00 0.00 C ATOM 1350 OE1 GLU A 93 3.228 -13.775 9.747 1.00 0.00 O ATOM 1351 OE2 GLU A 93 4.531 -12.779 11.143 1.00 0.00 O ATOM 0 H GLU A 93 7.427 -12.647 8.041 1.00 0.00 H new ATOM 0 HA GLU A 93 6.912 -15.102 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.729 -14.946 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.257 -14.958 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.210 -12.558 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.923 -12.345 8.156 1.00 0.00 H new ATOM 1358 N LEU A 94 5.003 -12.603 5.732 1.00 0.00 N ATOM 1359 CA LEU A 94 4.004 -12.251 4.667 1.00 0.00 C ATOM 1360 C LEU A 94 4.724 -11.922 3.356 1.00 0.00 C ATOM 1361 O LEU A 94 4.195 -11.252 2.494 1.00 0.00 O ATOM 1362 CB LEU A 94 3.141 -11.045 5.123 1.00 0.00 C ATOM 1363 CG LEU A 94 1.863 -11.543 5.835 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.185 -10.387 6.596 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.860 -12.126 4.810 1.00 0.00 C ATOM 0 H LEU A 94 5.328 -11.823 6.303 1.00 0.00 H new ATOM 0 HA LEU A 94 3.350 -13.107 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.717 -10.410 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.872 -10.435 4.261 1.00 0.00 H new ATOM 0 HG LEU A 94 2.155 -12.322 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.287 -10.755 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.873 -9.989 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.915 -9.598 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.033 -12.471 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.585 -11.355 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.321 -12.963 4.286 1.00 0.00 H new ATOM 1377 N ASP A 95 5.930 -12.375 3.199 1.00 0.00 N ATOM 1378 CA ASP A 95 6.672 -12.089 1.938 1.00 0.00 C ATOM 1379 C ASP A 95 5.860 -12.597 0.729 1.00 0.00 C ATOM 1380 O ASP A 95 5.285 -13.667 0.768 1.00 0.00 O ATOM 1381 CB ASP A 95 8.021 -12.808 1.988 1.00 0.00 C ATOM 1382 CG ASP A 95 7.794 -14.310 2.176 1.00 0.00 C ATOM 1383 OD1 ASP A 95 7.050 -14.668 3.071 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.370 -15.075 1.420 1.00 0.00 O ATOM 0 H ASP A 95 6.438 -12.931 3.886 1.00 0.00 H new ATOM 0 HA ASP A 95 6.826 -11.015 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.576 -12.626 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.624 -12.415 2.807 1.00 0.00 H new ATOM 1389 N GLY A 96 5.833 -11.839 -0.329 1.00 0.00 N ATOM 1390 CA GLY A 96 5.089 -12.256 -1.569 1.00 0.00 C ATOM 1391 C GLY A 96 3.852 -11.372 -1.761 1.00 0.00 C ATOM 1392 O GLY A 96 3.076 -11.551 -2.677 1.00 0.00 O ATOM 0 H GLY A 96 6.298 -10.934 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.741 -12.176 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.790 -13.301 -1.489 1.00 0.00 H new ATOM 1396 N ILE A 97 3.645 -10.461 -0.868 1.00 0.00 N ATOM 1397 CA ILE A 97 2.429 -9.576 -0.914 1.00 0.00 C ATOM 1398 C ILE A 97 2.308 -8.862 -2.266 1.00 0.00 C ATOM 1399 O ILE A 97 3.240 -8.242 -2.737 1.00 0.00 O ATOM 1400 CB ILE A 97 2.553 -8.541 0.227 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.692 -7.265 -0.014 1.00 0.00 C ATOM 1402 CG2 ILE A 97 4.037 -8.129 0.361 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.191 -7.590 -0.080 1.00 0.00 C ATOM 0 H ILE A 97 4.272 -10.277 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 97 1.532 -10.182 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 97 2.183 -9.011 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.873 -6.548 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.002 -6.789 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.141 -7.398 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.639 -9.008 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.379 -7.690 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.373 -6.673 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.005 -8.286 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.125 -8.042 0.860 1.00 0.00 H new ATOM 1415 N VAL A 98 1.144 -8.929 -2.880 1.00 0.00 N ATOM 1416 CA VAL A 98 0.930 -8.238 -4.190 1.00 0.00 C ATOM 1417 C VAL A 98 0.059 -6.993 -3.970 1.00 0.00 C ATOM 1418 O VAL A 98 -1.044 -7.082 -3.471 1.00 0.00 O ATOM 1419 CB VAL A 98 0.220 -9.189 -5.160 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.365 -8.676 -6.589 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.840 -10.582 -5.046 1.00 0.00 C ATOM 0 H VAL A 98 0.333 -9.436 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 98 1.893 -7.944 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.839 -9.239 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.142 -9.357 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.081 -7.685 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.422 -8.620 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.338 -11.261 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.900 -10.530 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.725 -10.949 -4.026 1.00 0.00 H new ATOM 1431 N VAL A 99 0.549 -5.834 -4.333 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.232 -4.570 -4.146 1.00 0.00 C ATOM 1433 C VAL A 99 -0.687 -4.049 -5.505 1.00 0.00 C ATOM 1434 O VAL A 99 0.097 -3.910 -6.427 1.00 0.00 O ATOM 1435 CB VAL A 99 0.673 -3.501 -3.517 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.191 -2.406 -2.881 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.573 -4.128 -2.455 1.00 0.00 C ATOM 0 H VAL A 99 1.468 -5.707 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.090 -4.775 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 99 1.299 -3.065 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.453 -1.648 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.817 -1.946 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.824 -2.844 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.209 -3.359 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.958 -4.577 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.196 -4.896 -2.913 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.943 -3.768 -5.639 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.486 -3.258 -6.934 1.00 0.00 C ATOM 1449 C ASP A 100 -2.730 -1.748 -6.823 1.00 0.00 C ATOM 1450 O ASP A 100 -3.503 -1.279 -6.012 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.781 -4.025 -7.260 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.502 -5.148 -8.267 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -3.561 -4.878 -9.454 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.235 -6.256 -7.830 1.00 0.00 O ATOM 0 H ASP A 100 -2.636 -3.869 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.776 -3.420 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.202 -4.444 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.524 -3.339 -7.668 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.050 -0.991 -7.647 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.184 0.497 -7.634 1.00 0.00 C ATOM 1461 C VAL A 101 -2.969 0.944 -8.887 1.00 0.00 C ATOM 1462 O VAL A 101 -2.612 0.585 -9.990 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.786 1.116 -7.683 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.881 2.619 -7.423 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.096 0.469 -6.616 1.00 0.00 C ATOM 0 H VAL A 101 -1.395 -1.350 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.708 0.816 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.350 0.946 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.116 3.058 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.508 3.081 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.319 2.791 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.092 0.910 -6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.341 0.637 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.167 -0.602 -6.803 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.028 1.714 -8.733 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.841 2.181 -9.897 1.00 0.00 C ATOM 1477 C PRO A 102 -4.233 3.382 -10.639 1.00 0.00 C ATOM 1478 O PRO A 102 -3.135 3.823 -10.367 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.167 2.596 -9.253 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.797 3.049 -7.892 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.582 2.217 -7.461 1.00 0.00 C ATOM 0 HA PRO A 102 -4.919 1.400 -10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.650 3.393 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.868 1.762 -9.216 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.557 4.112 -7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.627 2.909 -7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.855 2.822 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.871 1.400 -6.800 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.994 3.918 -11.549 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.548 5.111 -12.321 1.00 0.00 C ATOM 1491 C ASP A 103 -5.030 6.356 -11.578 1.00 0.00 C ATOM 1492 O ASP A 103 -4.600 7.463 -11.839 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.166 5.075 -13.721 1.00 0.00 C ATOM 1494 CG ASP A 103 -5.077 3.655 -14.284 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -5.574 2.753 -13.625 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -4.512 3.494 -15.351 1.00 0.00 O ATOM 0 H ASP A 103 -5.922 3.575 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.462 5.121 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.207 5.396 -13.679 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.644 5.771 -14.378 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.934 6.162 -10.650 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.491 7.289 -9.854 1.00 0.00 C ATOM 1503 C ARG A 104 -6.260 6.970 -8.383 1.00 0.00 C ATOM 1504 O ARG A 104 -6.856 6.061 -7.842 1.00 0.00 O ATOM 1505 CB ARG A 104 -8.008 7.391 -10.132 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.288 8.358 -11.296 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.250 9.822 -10.818 1.00 0.00 C ATOM 1508 NE ARG A 104 -6.854 10.326 -10.914 1.00 0.00 N ATOM 1509 CZ ARG A 104 -6.612 11.606 -10.847 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -7.578 12.447 -10.585 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -5.395 12.039 -11.023 1.00 0.00 N ATOM 0 H ARG A 104 -6.315 5.247 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.014 8.233 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.406 6.404 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.524 7.735 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.549 8.209 -12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.264 8.138 -11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.914 10.435 -11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.606 9.892 -9.790 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.083 9.669 -11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.526 12.103 -10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.384 13.447 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.641 11.378 -11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.197 13.038 -10.972 1.00 0.00 H new ATOM 1525 N GLN A 105 -5.408 7.704 -7.723 1.00 0.00 N ATOM 1526 CA GLN A 105 -5.145 7.449 -6.280 1.00 0.00 C ATOM 1527 C GLN A 105 -5.363 8.765 -5.532 1.00 0.00 C ATOM 1528 O GLN A 105 -5.743 8.798 -4.374 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.693 6.996 -6.112 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.754 8.084 -6.642 1.00 0.00 C ATOM 1531 CD GLN A 105 -1.350 7.504 -6.822 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.474 8.157 -7.354 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -1.100 6.294 -6.405 1.00 0.00 N ATOM 0 H GLN A 105 -4.878 8.477 -8.126 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.807 6.675 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.482 6.799 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.527 6.063 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.125 8.468 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.726 8.924 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.836 5.746 -5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.169 5.895 -6.525 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.121 9.855 -6.212 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.304 11.202 -5.593 1.00 0.00 C ATOM 1544 C TRP A 106 -6.738 11.325 -5.066 1.00 0.00 C ATOM 1545 O TRP A 106 -7.121 12.427 -4.705 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.042 12.286 -6.657 1.00 0.00 C ATOM 1547 CG TRP A 106 -3.582 12.612 -6.693 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -2.649 11.950 -7.420 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -2.879 13.665 -5.983 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -1.415 12.531 -7.186 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -1.506 13.594 -6.311 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.299 14.663 -5.092 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -0.581 14.486 -5.772 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -2.372 15.564 -4.543 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -1.014 15.476 -4.883 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.424 10.319 -5.030 1.00 0.00 O ATOM 0 H TRP A 106 -4.801 9.870 -7.180 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.605 11.331 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.371 11.936 -7.636 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.619 13.182 -6.428 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -2.837 11.110 -8.072 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -0.543 12.212 -7.609 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.343 14.739 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 0.463 14.414 -6.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -2.706 16.328 -3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -0.304 16.171 -4.459 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.386 9.747 3.995 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.302 7.093 3.514 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.852 8.220 4.589 1.00 0.00 S HETATM 1571 S2 FES A 107 0.154 8.620 2.887 1.00 0.00 S