USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 681 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 MET CE :methyl -141:sc= -0.146 (180deg=-1.16) USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -2.01 F(o=-6.4!,f=-2.2) USER MOD Set 2.1: A 54 MET CE :methyl -158:sc= -1.1 (180deg=-2.8) USER MOD Set 2.2: A 77 MET CE :methyl 179:sc= -3.93! (180deg=-3.96!) USER MOD Set 3.1: A 11 THR OG1 : rot -76:sc= 0.61 USER MOD Set 3.2: A 12 SER OG : rot -150:sc= 0.552 USER MOD Set 3.3: A 38 HIS : no HD1:sc= -0.102 K(o=1.1,f=0.51) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.127 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -177:sc= -1.47 (180deg=-1.5) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= 0.771 (180deg=0.00413) USER MOD Single : A 10 CYS SG : rot -39:sc= 0.5 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.375 X(o=0.38,f=-0.018) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 28 SER OG : rot 180:sc= 0.263 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0213 F(o=-0.58,f=-0.021) USER MOD Single : A 34 CYS SG : rot -54:sc= -0.707 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-2.8!,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.351 K(o=0.35,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= 0.335 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot 80:sc= 0.611 USER MOD Single : A 80 ASN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.535 K(o=0.54,f=0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.671 -18.630 -4.475 1.00 0.00 N ATOM 2 CA GLY A 1 3.453 -19.253 -3.169 1.00 0.00 C ATOM 3 C GLY A 1 1.970 -19.421 -2.910 1.00 0.00 C ATOM 4 O GLY A 1 1.137 -19.146 -3.778 1.00 0.00 O ATOM 0 H1 GLY A 1 4.202 -19.283 -5.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.753 -18.413 -4.914 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.213 -17.751 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.948 -20.224 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.899 -18.639 -2.386 1.00 0.00 H new ATOM 8 N HIS A 2 1.632 -19.928 -1.728 1.00 0.00 N ATOM 9 CA HIS A 2 0.275 -20.263 -1.336 1.00 0.00 C ATOM 10 C HIS A 2 0.226 -20.199 0.185 1.00 0.00 C ATOM 11 O HIS A 2 0.821 -21.059 0.839 1.00 0.00 O ATOM 12 CB HIS A 2 -0.046 -21.667 -1.869 1.00 0.00 C ATOM 13 CG HIS A 2 -1.493 -22.066 -1.796 1.00 0.00 C ATOM 14 ND1 HIS A 2 -2.263 -22.427 -2.880 1.00 0.00 N ATOM 15 CD2 HIS A 2 -2.243 -22.241 -0.664 1.00 0.00 C ATOM 16 CE1 HIS A 2 -3.452 -22.842 -2.417 1.00 0.00 C ATOM 17 NE2 HIS A 2 -3.488 -22.741 -1.073 1.00 0.00 N ATOM 0 H HIS A 2 2.318 -20.121 -0.998 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.467 -19.577 -1.744 1.00 0.00 H new ATOM 0 HB2 HIS A 2 0.278 -21.726 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.543 -22.394 -1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -1.935 -22.034 0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -4.263 -23.204 -3.032 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -4.273 -22.983 -0.468 1.00 0.00 H new ATOM 25 N SER A 3 -0.412 -19.170 0.742 1.00 0.00 N ATOM 26 CA SER A 3 -0.536 -19.013 2.189 1.00 0.00 C ATOM 27 C SER A 3 -1.857 -18.322 2.511 1.00 0.00 C ATOM 28 O SER A 3 -2.248 -17.387 1.802 1.00 0.00 O ATOM 29 CB SER A 3 0.633 -18.191 2.768 1.00 0.00 C ATOM 30 OG SER A 3 1.869 -18.398 2.100 1.00 0.00 O ATOM 0 H SER A 3 -0.855 -18.425 0.205 1.00 0.00 H new ATOM 0 HA SER A 3 -0.510 -20.003 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.378 -17.132 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.754 -18.442 3.822 1.00 0.00 H new ATOM 0 HG SER A 3 2.563 -17.846 2.517 1.00 0.00 H new ATOM 36 N LYS A 4 -2.488 -18.725 3.617 1.00 0.00 N ATOM 37 CA LYS A 4 -3.772 -18.243 4.128 1.00 0.00 C ATOM 38 C LYS A 4 -3.866 -16.728 4.061 1.00 0.00 C ATOM 39 O LYS A 4 -3.062 -16.063 4.704 1.00 0.00 O ATOM 40 CB LYS A 4 -3.976 -18.765 5.565 1.00 0.00 C ATOM 41 CG LYS A 4 -2.912 -18.352 6.615 1.00 0.00 C ATOM 42 CD LYS A 4 -3.339 -17.177 7.513 1.00 0.00 C ATOM 43 CE LYS A 4 -4.297 -17.612 8.621 1.00 0.00 C ATOM 44 NZ LYS A 4 -3.597 -18.187 9.784 1.00 0.00 N ATOM 0 H LYS A 4 -2.088 -19.445 4.219 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.573 -18.629 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.950 -18.424 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.014 -19.854 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.685 -19.213 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.991 -18.084 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.454 -16.723 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.817 -16.411 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.886 -16.754 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.997 -18.347 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.293 -18.465 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.055 -19.023 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.948 -17.479 10.184 1.00 0.00 H new ATOM 58 N MET A 5 -4.821 -16.184 3.285 1.00 0.00 N ATOM 59 CA MET A 5 -5.110 -14.744 3.163 1.00 0.00 C ATOM 60 C MET A 5 -3.872 -13.859 3.013 1.00 0.00 C ATOM 61 O MET A 5 -3.947 -12.692 3.368 1.00 0.00 O ATOM 62 CB MET A 5 -6.099 -14.291 4.264 1.00 0.00 C ATOM 63 CG MET A 5 -5.576 -14.533 5.681 1.00 0.00 C ATOM 64 SD MET A 5 -6.328 -13.541 6.993 1.00 0.00 S ATOM 65 CE MET A 5 -4.801 -12.803 7.615 1.00 0.00 C ATOM 0 H MET A 5 -5.435 -16.756 2.705 1.00 0.00 H new ATOM 0 HA MET A 5 -5.614 -14.599 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.311 -13.229 4.138 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.043 -14.822 4.136 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.719 -15.586 5.923 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.502 -14.348 5.685 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.024 -12.180 8.481 1.00 0.00 H new ATOM 0 HE2 MET A 5 -4.107 -13.592 7.905 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.349 -12.191 6.835 1.00 0.00 H new ATOM 75 N SER A 6 -2.740 -14.429 2.576 1.00 0.00 N ATOM 76 CA SER A 6 -1.405 -13.843 2.559 1.00 0.00 C ATOM 77 C SER A 6 -1.046 -13.086 3.842 1.00 0.00 C ATOM 78 O SER A 6 -0.208 -12.188 3.824 1.00 0.00 O ATOM 79 CB SER A 6 -1.165 -13.029 1.302 1.00 0.00 C ATOM 80 OG SER A 6 -1.653 -13.706 0.147 1.00 0.00 O ATOM 0 H SER A 6 -2.740 -15.377 2.200 1.00 0.00 H new ATOM 0 HA SER A 6 -0.708 -14.681 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.657 -12.061 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.098 -12.835 1.189 1.00 0.00 H new ATOM 0 HG SER A 6 -1.487 -13.158 -0.648 1.00 0.00 H new ATOM 86 N ASP A 7 -1.698 -13.440 4.955 1.00 0.00 N ATOM 87 CA ASP A 7 -1.546 -12.801 6.255 1.00 0.00 C ATOM 88 C ASP A 7 -1.791 -11.298 6.227 1.00 0.00 C ATOM 89 O ASP A 7 -1.165 -10.513 6.938 1.00 0.00 O ATOM 90 CB ASP A 7 -0.197 -13.214 6.820 1.00 0.00 C ATOM 91 CG ASP A 7 -0.185 -13.401 8.337 1.00 0.00 C ATOM 92 OD1 ASP A 7 -1.220 -13.551 9.025 1.00 0.00 O ATOM 93 OD2 ASP A 7 0.938 -13.463 8.883 1.00 0.00 O ATOM 0 H ASP A 7 -2.369 -14.208 4.969 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.327 -13.148 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.112 -14.146 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.543 -12.460 6.552 1.00 0.00 H new ATOM 98 N VAL A 8 -2.745 -10.890 5.398 1.00 0.00 N ATOM 99 CA VAL A 8 -3.140 -9.519 5.215 1.00 0.00 C ATOM 100 C VAL A 8 -4.051 -9.168 6.390 1.00 0.00 C ATOM 101 O VAL A 8 -5.277 -9.255 6.305 1.00 0.00 O ATOM 102 CB VAL A 8 -3.781 -9.355 3.820 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.117 -7.898 3.527 1.00 0.00 C ATOM 104 CG2 VAL A 8 -2.852 -9.810 2.683 1.00 0.00 C ATOM 0 H VAL A 8 -3.278 -11.538 4.818 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.304 -8.819 5.223 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.676 -9.976 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.566 -7.820 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.819 -7.529 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.206 -7.301 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.354 -9.672 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.937 -9.218 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.605 -10.863 2.815 1.00 0.00 H new ATOM 114 N LYS A 9 -3.447 -8.824 7.530 1.00 0.00 N ATOM 115 CA LYS A 9 -4.162 -8.371 8.734 1.00 0.00 C ATOM 116 C LYS A 9 -4.138 -6.859 8.940 1.00 0.00 C ATOM 117 O LYS A 9 -4.718 -6.363 9.906 1.00 0.00 O ATOM 118 CB LYS A 9 -3.665 -9.072 10.000 1.00 0.00 C ATOM 119 CG LYS A 9 -2.150 -8.899 10.154 1.00 0.00 C ATOM 120 CD LYS A 9 -1.476 -10.258 10.059 1.00 0.00 C ATOM 121 CE LYS A 9 0.008 -10.044 9.748 1.00 0.00 C ATOM 122 NZ LYS A 9 0.889 -11.066 10.334 1.00 0.00 N ATOM 0 H LYS A 9 -2.434 -8.851 7.648 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.199 -8.653 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.174 -8.662 10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.913 -10.133 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.768 -8.236 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.921 -8.433 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.592 -10.804 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.944 -10.859 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.146 -10.035 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.309 -9.063 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.753 -10.614 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.395 -11.543 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.142 -11.765 9.606 1.00 0.00 H new ATOM 136 N CYS A 10 -3.484 -6.157 8.025 1.00 0.00 N ATOM 137 CA CYS A 10 -3.180 -4.742 8.018 1.00 0.00 C ATOM 138 C CYS A 10 -2.288 -4.330 9.198 1.00 0.00 C ATOM 139 O CYS A 10 -1.808 -5.181 9.957 1.00 0.00 O ATOM 140 CB CYS A 10 -4.445 -3.926 7.707 1.00 0.00 C ATOM 141 SG CYS A 10 -5.462 -3.529 9.152 1.00 0.00 S ATOM 0 H CYS A 10 -3.120 -6.614 7.189 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.523 -4.483 7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.151 -2.996 7.220 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.053 -4.481 6.993 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.486 -4.548 9.959 1.00 0.00 H new ATOM 147 N THR A 11 -1.884 -3.058 9.212 1.00 0.00 N ATOM 148 CA THR A 11 -0.653 -2.661 9.888 1.00 0.00 C ATOM 149 C THR A 11 -0.600 -1.161 10.132 1.00 0.00 C ATOM 150 O THR A 11 -0.376 -0.713 11.262 1.00 0.00 O ATOM 151 CB THR A 11 0.586 -3.261 9.157 1.00 0.00 C ATOM 152 OG1 THR A 11 1.803 -2.679 9.570 1.00 0.00 O ATOM 153 CG2 THR A 11 0.540 -3.252 7.623 1.00 0.00 C ATOM 0 H THR A 11 -2.389 -2.292 8.766 1.00 0.00 H new ATOM 0 HA THR A 11 -0.635 -3.089 10.890 1.00 0.00 H new ATOM 0 HB THR A 11 0.537 -4.305 9.466 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.899 -1.795 9.158 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.455 -3.694 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.319 -3.830 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.451 -2.225 7.268 1.00 0.00 H new ATOM 161 N SER A 12 -0.781 -0.379 9.078 1.00 0.00 N ATOM 162 CA SER A 12 -0.232 0.957 9.030 1.00 0.00 C ATOM 163 C SER A 12 -1.345 1.910 8.686 1.00 0.00 C ATOM 164 O SER A 12 -1.692 2.068 7.518 1.00 0.00 O ATOM 165 CB SER A 12 0.884 0.981 7.990 1.00 0.00 C ATOM 166 OG SER A 12 1.832 -0.044 8.256 1.00 0.00 O ATOM 0 H SER A 12 -1.305 -0.652 8.247 1.00 0.00 H new ATOM 0 HA SER A 12 0.192 1.258 9.988 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.464 0.847 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.378 1.953 7.999 1.00 0.00 H new ATOM 0 HG SER A 12 2.716 0.239 7.943 1.00 0.00 H new ATOM 172 N VAL A 13 -1.948 2.510 9.704 1.00 0.00 N ATOM 173 CA VAL A 13 -3.209 3.219 9.561 1.00 0.00 C ATOM 174 C VAL A 13 -3.177 4.323 8.535 1.00 0.00 C ATOM 175 O VAL A 13 -4.204 4.531 7.904 1.00 0.00 O ATOM 176 CB VAL A 13 -3.726 3.795 10.881 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.682 2.775 11.463 1.00 0.00 C ATOM 178 CG2 VAL A 13 -2.599 4.152 11.850 1.00 0.00 C ATOM 0 H VAL A 13 -1.574 2.518 10.653 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.894 2.446 9.212 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.239 4.739 10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.077 3.145 12.409 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.504 2.608 10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.154 1.837 11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.024 4.556 12.769 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.020 3.258 12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.948 4.897 11.393 1.00 0.00 H new ATOM 188 N VAL A 14 -2.022 4.948 8.318 1.00 0.00 N ATOM 189 CA VAL A 14 -1.819 5.956 7.294 1.00 0.00 C ATOM 190 C VAL A 14 -2.463 5.462 5.996 1.00 0.00 C ATOM 191 O VAL A 14 -3.342 6.117 5.432 1.00 0.00 O ATOM 192 CB VAL A 14 -0.305 6.268 7.245 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.585 5.109 6.790 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.049 7.519 6.463 1.00 0.00 C ATOM 0 H VAL A 14 -1.183 4.759 8.867 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.308 6.909 7.497 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.084 6.449 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.627 5.429 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.464 4.268 7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.299 4.804 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.129 7.664 6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.288 7.411 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.440 8.382 6.916 1.00 0.00 H new ATOM 204 N LEU A 15 -2.121 4.236 5.605 1.00 0.00 N ATOM 205 CA LEU A 15 -2.509 3.548 4.389 1.00 0.00 C ATOM 206 C LEU A 15 -3.993 3.184 4.389 1.00 0.00 C ATOM 207 O LEU A 15 -4.666 3.310 3.360 1.00 0.00 O ATOM 208 CB LEU A 15 -1.533 2.360 4.201 1.00 0.00 C ATOM 209 CG LEU A 15 -2.008 0.929 4.493 1.00 0.00 C ATOM 210 CD1 LEU A 15 -3.001 0.394 3.463 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.822 -0.043 4.551 1.00 0.00 C ATOM 0 H LEU A 15 -1.514 3.655 6.184 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.419 4.194 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.187 2.383 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.665 2.550 4.832 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.512 0.990 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.293 -0.621 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.884 1.033 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.535 0.388 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.186 -1.049 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.299 -0.037 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.137 0.266 5.341 1.00 0.00 H new ATOM 223 N LEU A 16 -4.503 2.708 5.528 1.00 0.00 N ATOM 224 CA LEU A 16 -5.894 2.292 5.685 1.00 0.00 C ATOM 225 C LEU A 16 -6.832 3.491 5.599 1.00 0.00 C ATOM 226 O LEU A 16 -7.849 3.429 4.907 1.00 0.00 O ATOM 227 CB LEU A 16 -6.090 1.619 7.053 1.00 0.00 C ATOM 228 CG LEU A 16 -5.741 0.129 7.191 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.508 -0.714 6.172 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.244 -0.168 7.106 1.00 0.00 C ATOM 0 H LEU A 16 -3.950 2.600 6.378 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.126 1.592 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.494 2.168 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.135 1.743 7.337 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.052 -0.149 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.241 -1.764 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.579 -0.591 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.251 -0.389 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.079 -1.240 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.861 0.164 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.722 0.360 7.904 1.00 0.00 H new ATOM 242 N SER A 17 -6.518 4.560 6.327 1.00 0.00 N ATOM 243 CA SER A 17 -7.279 5.799 6.393 1.00 0.00 C ATOM 244 C SER A 17 -7.587 6.353 4.996 1.00 0.00 C ATOM 245 O SER A 17 -8.742 6.695 4.745 1.00 0.00 O ATOM 246 CB SER A 17 -6.582 6.777 7.360 1.00 0.00 C ATOM 247 OG SER A 17 -7.358 6.871 8.544 1.00 0.00 O ATOM 0 H SER A 17 -5.685 4.584 6.915 1.00 0.00 H new ATOM 0 HA SER A 17 -8.268 5.615 6.813 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.577 6.427 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.478 7.758 6.897 1.00 0.00 H new ATOM 0 HG SER A 17 -6.926 7.489 9.170 1.00 0.00 H new ATOM 253 N VAL A 18 -6.653 6.287 4.038 1.00 0.00 N ATOM 254 CA VAL A 18 -6.891 6.675 2.644 1.00 0.00 C ATOM 255 C VAL A 18 -8.091 5.961 2.044 1.00 0.00 C ATOM 256 O VAL A 18 -8.813 6.536 1.237 1.00 0.00 O ATOM 257 CB VAL A 18 -5.677 6.327 1.759 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.751 7.006 0.388 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.358 6.675 2.426 1.00 0.00 C ATOM 0 H VAL A 18 -5.703 5.960 4.212 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.070 7.750 2.664 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.717 5.247 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.876 6.733 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.653 6.682 -0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.777 8.088 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.534 6.411 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.327 7.744 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.265 6.120 3.359 1.00 0.00 H new ATOM 269 N LEU A 19 -8.270 4.686 2.366 1.00 0.00 N ATOM 270 CA LEU A 19 -9.247 3.844 1.707 1.00 0.00 C ATOM 271 C LEU A 19 -10.592 4.034 2.400 1.00 0.00 C ATOM 272 O LEU A 19 -11.622 4.196 1.734 1.00 0.00 O ATOM 273 CB LEU A 19 -8.767 2.389 1.752 1.00 0.00 C ATOM 274 CG LEU A 19 -7.354 2.139 1.216 1.00 0.00 C ATOM 275 CD1 LEU A 19 -6.982 0.675 1.445 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.200 2.503 -0.267 1.00 0.00 C ATOM 0 H LEU A 19 -7.738 4.210 3.094 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.365 4.116 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.810 2.043 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.466 1.777 1.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.675 2.793 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.977 0.491 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.013 0.454 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.691 0.033 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.177 2.303 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.889 1.904 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.424 3.561 -0.407 1.00 0.00 H new ATOM 288 N GLN A 20 -10.553 4.055 3.738 1.00 0.00 N ATOM 289 CA GLN A 20 -11.694 4.336 4.595 1.00 0.00 C ATOM 290 C GLN A 20 -12.260 5.723 4.315 1.00 0.00 C ATOM 291 O GLN A 20 -13.460 5.911 4.505 1.00 0.00 O ATOM 292 CB GLN A 20 -11.283 4.263 6.072 1.00 0.00 C ATOM 293 CG GLN A 20 -10.846 2.873 6.548 1.00 0.00 C ATOM 294 CD GLN A 20 -10.442 2.945 8.016 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.268 2.750 8.906 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.204 3.316 8.295 1.00 0.00 N ATOM 0 H GLN A 20 -9.698 3.870 4.262 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.456 3.586 4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.466 4.964 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.121 4.595 6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.660 2.159 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.010 2.517 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.536 3.472 7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.917 3.446 9.265 1.00 0.00 H new ATOM 305 N GLN A 21 -11.445 6.686 3.862 1.00 0.00 N ATOM 306 CA GLN A 21 -11.885 8.045 3.568 1.00 0.00 C ATOM 307 C GLN A 21 -13.050 8.061 2.594 1.00 0.00 C ATOM 308 O GLN A 21 -13.811 9.027 2.571 1.00 0.00 O ATOM 309 CB GLN A 21 -10.756 8.882 2.957 1.00 0.00 C ATOM 310 CG GLN A 21 -10.510 10.162 3.747 1.00 0.00 C ATOM 311 CD GLN A 21 -9.130 10.108 4.366 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.940 9.719 5.511 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.143 10.439 3.563 1.00 0.00 N ATOM 0 H GLN A 21 -10.451 6.535 3.689 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.194 8.472 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.840 8.291 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.006 9.133 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.594 11.029 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.266 10.275 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.342 10.759 2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.178 10.376 3.888 1.00 0.00 H new ATOM 322 N LEU A 22 -13.127 7.037 1.745 1.00 0.00 N ATOM 323 CA LEU A 22 -14.143 6.954 0.728 1.00 0.00 C ATOM 324 C LEU A 22 -15.197 5.957 1.194 1.00 0.00 C ATOM 325 O LEU A 22 -16.252 6.365 1.675 1.00 0.00 O ATOM 326 CB LEU A 22 -13.562 6.614 -0.661 1.00 0.00 C ATOM 327 CG LEU A 22 -12.399 7.477 -1.172 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.704 8.957 -1.207 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.085 7.191 -0.457 1.00 0.00 C ATOM 0 H LEU A 22 -12.481 6.248 1.753 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.609 7.930 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.228 5.577 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.371 6.675 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.271 7.171 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.834 9.499 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.553 9.138 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.944 9.303 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.303 7.832 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.200 7.389 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.811 6.146 -0.604 1.00 0.00 H new ATOM 341 N ARG A 23 -14.945 4.653 1.008 1.00 0.00 N ATOM 342 CA ARG A 23 -15.979 3.621 1.115 1.00 0.00 C ATOM 343 C ARG A 23 -15.452 2.186 1.110 1.00 0.00 C ATOM 344 O ARG A 23 -16.263 1.269 0.984 1.00 0.00 O ATOM 345 CB ARG A 23 -17.038 3.811 -0.009 1.00 0.00 C ATOM 346 CG ARG A 23 -16.758 3.218 -1.397 1.00 0.00 C ATOM 347 CD ARG A 23 -15.594 3.903 -2.115 1.00 0.00 C ATOM 348 NE ARG A 23 -15.976 4.515 -3.396 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.086 3.895 -4.575 1.00 0.00 C ATOM 350 NH1 ARG A 23 -16.009 2.573 -4.663 1.00 0.00 N ATOM 351 NH2 ARG A 23 -16.267 4.622 -5.667 1.00 0.00 N ATOM 0 H ARG A 23 -14.020 4.288 0.780 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.434 3.759 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.977 3.388 0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.198 4.882 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.540 2.155 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.656 3.302 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.177 4.671 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.805 3.172 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.178 5.515 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.864 2.014 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.095 2.116 -5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.320 5.638 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.353 4.166 -6.575 1.00 0.00 H new ATOM 365 N VAL A 24 -14.130 1.982 1.136 1.00 0.00 N ATOM 366 CA VAL A 24 -13.480 0.712 0.818 1.00 0.00 C ATOM 367 C VAL A 24 -14.174 -0.473 1.487 1.00 0.00 C ATOM 368 O VAL A 24 -14.517 -0.439 2.675 1.00 0.00 O ATOM 369 CB VAL A 24 -11.985 0.778 1.178 1.00 0.00 C ATOM 370 CG1 VAL A 24 -11.759 0.935 2.685 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.231 -0.460 0.671 1.00 0.00 C ATOM 0 H VAL A 24 -13.468 2.717 1.386 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.567 0.548 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.590 1.664 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.689 0.977 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.231 1.855 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.196 0.085 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.178 -0.381 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.656 -1.356 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.323 -0.523 -0.413 1.00 0.00 H new ATOM 381 N GLU A 25 -14.362 -1.538 0.721 1.00 0.00 N ATOM 382 CA GLU A 25 -14.936 -2.767 1.218 1.00 0.00 C ATOM 383 C GLU A 25 -13.802 -3.679 1.649 1.00 0.00 C ATOM 384 O GLU A 25 -13.018 -4.120 0.806 1.00 0.00 O ATOM 385 CB GLU A 25 -15.827 -3.414 0.158 1.00 0.00 C ATOM 386 CG GLU A 25 -16.953 -2.443 -0.204 1.00 0.00 C ATOM 387 CD GLU A 25 -18.096 -3.153 -0.910 1.00 0.00 C ATOM 388 OE1 GLU A 25 -18.000 -3.334 -2.149 1.00 0.00 O ATOM 389 OE2 GLU A 25 -19.105 -3.427 -0.221 1.00 0.00 O ATOM 0 H GLU A 25 -14.117 -1.568 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.576 -2.569 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.241 -3.659 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.242 -4.349 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.325 -1.963 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.562 -1.654 -0.846 1.00 0.00 H new ATOM 396 N SER A 26 -13.737 -3.969 2.948 1.00 0.00 N ATOM 397 CA SER A 26 -12.942 -5.068 3.492 1.00 0.00 C ATOM 398 C SER A 26 -13.335 -6.394 2.819 1.00 0.00 C ATOM 399 O SER A 26 -12.486 -7.224 2.484 1.00 0.00 O ATOM 400 CB SER A 26 -13.109 -5.087 5.017 1.00 0.00 C ATOM 401 OG SER A 26 -14.469 -5.123 5.453 1.00 0.00 O ATOM 0 H SER A 26 -14.241 -3.441 3.660 1.00 0.00 H new ATOM 0 HA SER A 26 -11.883 -4.925 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.587 -5.955 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.627 -4.203 5.436 1.00 0.00 H new ATOM 0 HG SER A 26 -14.498 -5.135 6.432 1.00 0.00 H new ATOM 407 N SER A 27 -14.620 -6.513 2.475 1.00 0.00 N ATOM 408 CA SER A 27 -15.229 -7.570 1.684 1.00 0.00 C ATOM 409 C SER A 27 -14.632 -7.727 0.279 1.00 0.00 C ATOM 410 O SER A 27 -15.017 -8.653 -0.426 1.00 0.00 O ATOM 411 CB SER A 27 -16.725 -7.264 1.541 1.00 0.00 C ATOM 412 OG SER A 27 -17.255 -6.740 2.748 1.00 0.00 O ATOM 0 H SER A 27 -15.307 -5.818 2.767 1.00 0.00 H new ATOM 0 HA SER A 27 -15.039 -8.505 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.878 -6.549 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 27 -17.261 -8.173 1.269 1.00 0.00 H new ATOM 0 HG SER A 27 -18.210 -6.551 2.631 1.00 0.00 H new ATOM 418 N SER A 28 -13.746 -6.842 -0.182 1.00 0.00 N ATOM 419 CA SER A 28 -13.149 -6.893 -1.505 1.00 0.00 C ATOM 420 C SER A 28 -11.647 -7.058 -1.346 1.00 0.00 C ATOM 421 O SER A 28 -11.037 -6.427 -0.479 1.00 0.00 O ATOM 422 CB SER A 28 -13.481 -5.589 -2.241 1.00 0.00 C ATOM 423 OG SER A 28 -12.766 -5.453 -3.458 1.00 0.00 O ATOM 0 H SER A 28 -13.420 -6.052 0.374 1.00 0.00 H new ATOM 0 HA SER A 28 -13.539 -7.731 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.551 -5.554 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.253 -4.742 -1.593 1.00 0.00 H new ATOM 0 HG SER A 28 -13.013 -4.609 -3.890 1.00 0.00 H new ATOM 429 N LYS A 29 -11.029 -7.775 -2.298 1.00 0.00 N ATOM 430 CA LYS A 29 -9.573 -7.823 -2.426 1.00 0.00 C ATOM 431 C LYS A 29 -8.958 -6.439 -2.435 1.00 0.00 C ATOM 432 O LYS A 29 -7.786 -6.308 -2.142 1.00 0.00 O ATOM 433 CB LYS A 29 -9.102 -8.612 -3.664 1.00 0.00 C ATOM 434 CG LYS A 29 -8.978 -7.820 -4.986 1.00 0.00 C ATOM 435 CD LYS A 29 -10.333 -7.607 -5.662 1.00 0.00 C ATOM 436 CE LYS A 29 -10.385 -6.201 -6.252 1.00 0.00 C ATOM 437 NZ LYS A 29 -11.591 -6.027 -7.079 1.00 0.00 N ATOM 0 H LYS A 29 -11.525 -8.332 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.225 -8.356 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.130 -9.051 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.795 -9.437 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.518 -6.852 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.315 -8.354 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.482 -8.349 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.138 -7.741 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.379 -5.464 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.495 -6.022 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.607 -5.064 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.581 -6.717 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.438 -6.177 -6.494 1.00 0.00 H new ATOM 451 N LEU A 30 -9.699 -5.422 -2.863 1.00 0.00 N ATOM 452 CA LEU A 30 -9.207 -4.063 -3.030 1.00 0.00 C ATOM 453 C LEU A 30 -8.574 -3.542 -1.739 1.00 0.00 C ATOM 454 O LEU A 30 -7.476 -2.995 -1.780 1.00 0.00 O ATOM 455 CB LEU A 30 -10.360 -3.187 -3.521 1.00 0.00 C ATOM 456 CG LEU A 30 -9.957 -1.823 -4.091 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.403 -0.842 -3.069 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.996 -1.910 -5.268 1.00 0.00 C ATOM 0 H LEU A 30 -10.683 -5.525 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.413 -4.039 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.908 -3.734 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.049 -3.025 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.911 -1.429 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.146 0.094 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.154 -0.652 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.511 -1.264 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.757 -0.906 -5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.081 -2.413 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.461 -2.474 -6.077 1.00 0.00 H new ATOM 470 N TRP A 31 -9.230 -3.753 -0.598 1.00 0.00 N ATOM 471 CA TRP A 31 -8.659 -3.469 0.717 1.00 0.00 C ATOM 472 C TRP A 31 -7.284 -4.135 0.823 1.00 0.00 C ATOM 473 O TRP A 31 -6.267 -3.472 1.022 1.00 0.00 O ATOM 474 CB TRP A 31 -9.642 -3.951 1.799 1.00 0.00 C ATOM 475 CG TRP A 31 -9.170 -3.869 3.220 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.276 -2.790 4.029 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.554 -4.913 4.035 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.759 -3.087 5.274 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.274 -4.375 5.326 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.230 -6.270 3.826 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -7.672 -5.133 6.342 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -7.626 -7.042 4.837 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.334 -6.473 6.089 1.00 0.00 C ATOM 0 H TRP A 31 -10.178 -4.128 -0.561 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.510 -2.399 0.862 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.559 -3.368 1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.902 -4.988 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.701 -1.839 3.744 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.739 -2.434 6.057 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.450 -6.726 2.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.471 -4.692 7.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.385 -8.078 4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.852 -7.064 6.854 1.00 0.00 H new ATOM 494 N ALA A 32 -7.247 -5.446 0.605 1.00 0.00 N ATOM 495 CA ALA A 32 -6.061 -6.265 0.756 1.00 0.00 C ATOM 496 C ALA A 32 -4.965 -5.947 -0.261 1.00 0.00 C ATOM 497 O ALA A 32 -3.791 -6.062 0.082 1.00 0.00 O ATOM 498 CB ALA A 32 -6.473 -7.719 0.592 1.00 0.00 C ATOM 0 H ALA A 32 -8.066 -5.977 0.311 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.643 -6.059 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.598 -8.360 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.209 -7.977 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.908 -7.865 -0.397 1.00 0.00 H new ATOM 504 N GLN A 33 -5.314 -5.535 -1.486 1.00 0.00 N ATOM 505 CA GLN A 33 -4.390 -5.123 -2.540 1.00 0.00 C ATOM 506 C GLN A 33 -3.433 -4.090 -1.959 1.00 0.00 C ATOM 507 O GLN A 33 -2.221 -4.152 -2.142 1.00 0.00 O ATOM 508 CB GLN A 33 -5.125 -4.510 -3.743 1.00 0.00 C ATOM 509 CG GLN A 33 -5.925 -5.502 -4.603 1.00 0.00 C ATOM 510 CD GLN A 33 -5.312 -5.996 -5.905 1.00 0.00 C ATOM 511 OE1 GLN A 33 -4.659 -5.116 -6.622 1.00 0.00 O flip ATOM 512 NE2 GLN A 33 -5.510 -7.145 -6.297 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.290 -5.479 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.855 -6.004 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.806 -3.741 -3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.393 -4.012 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.141 -6.375 -3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.881 -5.036 -4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.023 -7.803 -5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.161 -7.440 -7.209 1.00 0.00 H new ATOM 521 N CYS A 34 -4.013 -3.166 -1.200 1.00 0.00 N ATOM 522 CA CYS A 34 -3.327 -2.007 -0.666 1.00 0.00 C ATOM 523 C CYS A 34 -2.576 -2.312 0.626 1.00 0.00 C ATOM 524 O CYS A 34 -1.922 -1.429 1.176 1.00 0.00 O ATOM 525 CB CYS A 34 -4.382 -0.935 -0.391 1.00 0.00 C ATOM 526 SG CYS A 34 -3.882 0.619 -1.151 1.00 0.00 S ATOM 0 H CYS A 34 -4.997 -3.208 -0.936 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.585 -1.677 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.347 -1.251 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.507 -0.802 0.684 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.687 0.934 -0.749 1.00 0.00 H new ATOM 532 N VAL A 35 -2.706 -3.519 1.158 1.00 0.00 N ATOM 533 CA VAL A 35 -2.118 -3.907 2.423 1.00 0.00 C ATOM 534 C VAL A 35 -0.985 -4.879 2.100 1.00 0.00 C ATOM 535 O VAL A 35 0.159 -4.620 2.464 1.00 0.00 O ATOM 536 CB VAL A 35 -3.240 -4.439 3.334 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.678 -4.979 4.643 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.252 -3.345 3.719 1.00 0.00 C ATOM 0 H VAL A 35 -3.234 -4.268 0.710 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.669 -3.090 2.988 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.731 -5.222 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.494 -5.347 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.985 -5.794 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.152 -4.182 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.022 -3.772 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.738 -2.545 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.714 -2.943 2.817 1.00 0.00 H new ATOM 548 N GLN A 36 -1.247 -5.929 1.317 1.00 0.00 N ATOM 549 CA GLN A 36 -0.227 -6.880 0.901 1.00 0.00 C ATOM 550 C GLN A 36 0.952 -6.169 0.214 1.00 0.00 C ATOM 551 O GLN A 36 2.107 -6.516 0.451 1.00 0.00 O ATOM 552 CB GLN A 36 -0.874 -7.985 0.043 1.00 0.00 C ATOM 553 CG GLN A 36 -1.227 -7.609 -1.408 1.00 0.00 C ATOM 554 CD GLN A 36 -0.207 -8.175 -2.393 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.850 -7.444 -2.679 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.353 -9.284 -2.908 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.177 -6.139 0.956 1.00 0.00 H new ATOM 0 HA GLN A 36 0.205 -7.366 1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.197 -8.839 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.786 -8.315 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.220 -7.987 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.266 -6.524 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.174 -9.847 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.347 -9.640 -3.559 1.00 0.00 H new ATOM 565 N LEU A 37 0.669 -5.169 -0.630 1.00 0.00 N ATOM 566 CA LEU A 37 1.654 -4.480 -1.460 1.00 0.00 C ATOM 567 C LEU A 37 2.465 -3.445 -0.663 1.00 0.00 C ATOM 568 O LEU A 37 3.472 -2.938 -1.159 1.00 0.00 O ATOM 569 CB LEU A 37 0.925 -3.857 -2.651 1.00 0.00 C ATOM 570 CG LEU A 37 1.833 -3.430 -3.823 1.00 0.00 C ATOM 571 CD1 LEU A 37 2.977 -4.398 -4.170 1.00 0.00 C ATOM 572 CD2 LEU A 37 0.965 -3.331 -5.073 1.00 0.00 C ATOM 0 H LEU A 37 -0.278 -4.810 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 37 2.389 -5.198 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.191 -4.572 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.372 -2.984 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 37 2.293 -2.494 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.550 -3.999 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.630 -4.514 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.562 -5.368 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.581 -3.030 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.512 -4.301 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.181 -2.591 -4.914 1.00 0.00 H new ATOM 584 N HIS A 38 2.057 -3.123 0.570 1.00 0.00 N ATOM 585 CA HIS A 38 2.787 -2.205 1.437 1.00 0.00 C ATOM 586 C HIS A 38 4.058 -2.882 1.917 1.00 0.00 C ATOM 587 O HIS A 38 5.135 -2.289 1.872 1.00 0.00 O ATOM 588 CB HIS A 38 1.896 -1.751 2.603 1.00 0.00 C ATOM 589 CG HIS A 38 2.616 -1.120 3.768 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.256 -1.796 4.790 1.00 0.00 N ATOM 591 CD2 HIS A 38 2.705 0.221 4.031 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.750 -0.880 5.636 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.412 0.358 5.235 1.00 0.00 N ATOM 0 H HIS A 38 1.207 -3.496 0.992 1.00 0.00 H new ATOM 0 HA HIS A 38 3.067 -1.308 0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.165 -1.038 2.222 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.339 -2.614 2.968 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.306 1.022 3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.336 -1.105 6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.629 1.231 5.715 1.00 0.00 H new ATOM 601 N ASN A 39 3.937 -4.140 2.349 1.00 0.00 N ATOM 602 CA ASN A 39 5.075 -4.878 2.876 1.00 0.00 C ATOM 603 C ASN A 39 6.150 -4.948 1.804 1.00 0.00 C ATOM 604 O ASN A 39 7.298 -4.627 2.073 1.00 0.00 O ATOM 605 CB ASN A 39 4.718 -6.299 3.346 1.00 0.00 C ATOM 606 CG ASN A 39 3.378 -6.379 4.052 1.00 0.00 C ATOM 607 OD1 ASN A 39 3.257 -6.139 5.250 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.324 -6.631 3.299 1.00 0.00 N ATOM 0 H ASN A 39 3.061 -4.663 2.342 1.00 0.00 H new ATOM 0 HA ASN A 39 5.430 -4.343 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.707 -6.967 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.497 -6.658 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.391 -6.628 3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.443 -6.828 2.305 1.00 0.00 H new ATOM 615 N ASP A 40 5.770 -5.293 0.573 1.00 0.00 N ATOM 616 CA ASP A 40 6.658 -5.511 -0.568 1.00 0.00 C ATOM 617 C ASP A 40 7.503 -4.288 -0.945 1.00 0.00 C ATOM 618 O ASP A 40 8.394 -4.415 -1.778 1.00 0.00 O ATOM 619 CB ASP A 40 5.859 -5.995 -1.786 1.00 0.00 C ATOM 620 CG ASP A 40 5.928 -7.507 -1.975 1.00 0.00 C ATOM 621 OD1 ASP A 40 6.986 -7.998 -2.436 1.00 0.00 O ATOM 622 OD2 ASP A 40 4.929 -8.203 -1.694 1.00 0.00 O ATOM 0 H ASP A 40 4.789 -5.434 0.334 1.00 0.00 H new ATOM 0 HA ASP A 40 7.362 -6.281 -0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.817 -5.695 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.238 -5.504 -2.682 1.00 0.00 H new ATOM 627 N ILE A 41 7.266 -3.112 -0.354 1.00 0.00 N ATOM 628 CA ILE A 41 8.155 -1.958 -0.465 1.00 0.00 C ATOM 629 C ILE A 41 9.375 -2.182 0.443 1.00 0.00 C ATOM 630 O ILE A 41 10.529 -2.034 0.029 1.00 0.00 O ATOM 631 CB ILE A 41 7.388 -0.668 -0.074 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.041 -0.513 -0.817 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.237 0.601 -0.260 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.100 -0.736 -2.329 1.00 0.00 C ATOM 0 H ILE A 41 6.442 -2.936 0.220 1.00 0.00 H new ATOM 0 HA ILE A 41 8.501 -1.842 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 41 7.170 -0.784 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.326 -1.216 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.654 0.488 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.653 1.475 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.128 0.538 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.533 0.691 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.105 -0.604 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.785 -0.016 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.452 -1.747 -2.534 1.00 0.00 H new ATOM 646 N LEU A 42 9.110 -2.554 1.696 1.00 0.00 N ATOM 647 CA LEU A 42 10.100 -2.893 2.712 1.00 0.00 C ATOM 648 C LEU A 42 10.828 -4.178 2.317 1.00 0.00 C ATOM 649 O LEU A 42 12.005 -4.347 2.621 1.00 0.00 O ATOM 650 CB LEU A 42 9.431 -3.056 4.100 1.00 0.00 C ATOM 651 CG LEU A 42 8.406 -1.969 4.491 1.00 0.00 C ATOM 652 CD1 LEU A 42 7.819 -2.192 5.891 1.00 0.00 C ATOM 653 CD2 LEU A 42 8.998 -0.561 4.431 1.00 0.00 C ATOM 0 H LEU A 42 8.154 -2.630 2.043 1.00 0.00 H new ATOM 0 HA LEU A 42 10.823 -2.080 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.932 -4.025 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.214 -3.078 4.858 1.00 0.00 H new ATOM 0 HG LEU A 42 7.609 -2.055 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.105 -1.400 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.314 -3.157 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.621 -2.177 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.237 0.166 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.841 -0.491 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.339 -0.352 3.417 1.00 0.00 H new ATOM 665 N LEU A 43 10.136 -5.087 1.625 1.00 0.00 N ATOM 666 CA LEU A 43 10.643 -6.399 1.223 1.00 0.00 C ATOM 667 C LEU A 43 11.110 -6.391 -0.236 1.00 0.00 C ATOM 668 O LEU A 43 11.280 -7.454 -0.832 1.00 0.00 O ATOM 669 CB LEU A 43 9.585 -7.497 1.457 1.00 0.00 C ATOM 670 CG LEU A 43 8.847 -7.469 2.808 1.00 0.00 C ATOM 671 CD1 LEU A 43 7.947 -8.696 2.941 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.788 -7.272 3.996 1.00 0.00 C ATOM 0 H LEU A 43 9.177 -4.923 1.320 1.00 0.00 H new ATOM 0 HA LEU A 43 11.507 -6.625 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.842 -7.429 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.073 -8.467 1.356 1.00 0.00 H new ATOM 0 HG LEU A 43 8.204 -6.589 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.430 -8.666 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.214 -8.699 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.553 -9.600 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.210 -7.261 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.509 -8.089 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.317 -6.325 3.888 1.00 0.00 H new ATOM 684 N ALA A 44 11.255 -5.201 -0.826 1.00 0.00 N ATOM 685 CA ALA A 44 11.760 -5.053 -2.183 1.00 0.00 C ATOM 686 C ALA A 44 13.256 -5.335 -2.237 1.00 0.00 C ATOM 687 O ALA A 44 13.967 -5.120 -1.254 1.00 0.00 O ATOM 688 CB ALA A 44 11.516 -3.637 -2.694 1.00 0.00 C ATOM 0 H ALA A 44 11.024 -4.317 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 44 11.230 -5.769 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.900 -3.546 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.446 -3.428 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.027 -2.924 -2.047 1.00 0.00 H new ATOM 694 N LYS A 45 13.744 -5.708 -3.420 1.00 0.00 N ATOM 695 CA LYS A 45 15.130 -6.107 -3.641 1.00 0.00 C ATOM 696 C LYS A 45 16.101 -4.993 -3.316 1.00 0.00 C ATOM 697 O LYS A 45 17.124 -5.238 -2.676 1.00 0.00 O ATOM 698 CB LYS A 45 15.324 -6.515 -5.103 1.00 0.00 C ATOM 699 CG LYS A 45 14.551 -7.802 -5.383 1.00 0.00 C ATOM 700 CD LYS A 45 14.920 -8.348 -6.754 1.00 0.00 C ATOM 701 CE LYS A 45 14.303 -9.734 -6.941 1.00 0.00 C ATOM 702 NZ LYS A 45 14.776 -10.350 -8.192 1.00 0.00 N ATOM 0 H LYS A 45 13.175 -5.741 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 45 15.335 -6.946 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.976 -5.720 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.383 -6.662 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.775 -8.543 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.479 -7.609 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.564 -7.673 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.004 -8.406 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.563 -10.370 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.216 -9.654 -6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.345 -11.290 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.506 -9.751 -8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.811 -10.445 -8.163 1.00 0.00 H new ATOM 716 N ASP A 46 15.787 -3.797 -3.798 1.00 0.00 N ATOM 717 CA ASP A 46 16.574 -2.587 -3.620 1.00 0.00 C ATOM 718 C ASP A 46 15.631 -1.400 -3.457 1.00 0.00 C ATOM 719 O ASP A 46 14.409 -1.552 -3.461 1.00 0.00 O ATOM 720 CB ASP A 46 17.489 -2.301 -4.816 1.00 0.00 C ATOM 721 CG ASP A 46 18.478 -3.415 -5.155 1.00 0.00 C ATOM 722 OD1 ASP A 46 19.408 -3.621 -4.341 1.00 0.00 O ATOM 723 OD2 ASP A 46 18.411 -4.014 -6.251 1.00 0.00 O ATOM 0 H ASP A 46 14.941 -3.639 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 46 17.197 -2.734 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.868 -2.109 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.049 -1.388 -4.615 1.00 0.00 H new ATOM 728 N THR A 47 16.202 -0.203 -3.361 1.00 0.00 N ATOM 729 CA THR A 47 15.497 1.049 -3.221 1.00 0.00 C ATOM 730 C THR A 47 14.647 1.370 -4.449 1.00 0.00 C ATOM 731 O THR A 47 13.455 1.627 -4.286 1.00 0.00 O ATOM 732 CB THR A 47 16.540 2.141 -2.975 1.00 0.00 C ATOM 733 OG1 THR A 47 17.281 1.841 -1.808 1.00 0.00 O ATOM 734 CG2 THR A 47 15.820 3.466 -2.807 1.00 0.00 C ATOM 0 H THR A 47 17.215 -0.083 -3.380 1.00 0.00 H new ATOM 0 HA THR A 47 14.802 0.985 -2.383 1.00 0.00 H new ATOM 0 HB THR A 47 17.228 2.198 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.949 2.542 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.549 4.257 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.254 3.690 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.139 3.405 -1.958 1.00 0.00 H new ATOM 742 N THR A 48 15.240 1.410 -5.649 1.00 0.00 N ATOM 743 CA THR A 48 14.510 1.770 -6.864 1.00 0.00 C ATOM 744 C THR A 48 13.302 0.834 -7.000 1.00 0.00 C ATOM 745 O THR A 48 12.158 1.273 -7.105 1.00 0.00 O ATOM 746 CB THR A 48 15.478 1.824 -8.076 1.00 0.00 C ATOM 747 OG1 THR A 48 14.810 2.079 -9.299 1.00 0.00 O ATOM 748 CG2 THR A 48 16.348 0.574 -8.272 1.00 0.00 C ATOM 0 H THR A 48 16.226 1.196 -5.801 1.00 0.00 H new ATOM 0 HA THR A 48 14.098 2.778 -6.816 1.00 0.00 H new ATOM 0 HB THR A 48 16.134 2.654 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.463 2.105 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.989 0.710 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.966 0.418 -7.388 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.708 -0.295 -8.424 1.00 0.00 H new ATOM 756 N GLU A 49 13.559 -0.463 -6.839 1.00 0.00 N ATOM 757 CA GLU A 49 12.586 -1.536 -6.935 1.00 0.00 C ATOM 758 C GLU A 49 11.507 -1.454 -5.846 1.00 0.00 C ATOM 759 O GLU A 49 10.457 -2.074 -5.995 1.00 0.00 O ATOM 760 CB GLU A 49 13.382 -2.850 -6.859 1.00 0.00 C ATOM 761 CG GLU A 49 12.552 -4.138 -6.896 1.00 0.00 C ATOM 762 CD GLU A 49 11.649 -4.269 -8.124 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.117 -3.947 -9.240 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.536 -4.837 -7.970 1.00 0.00 O ATOM 0 H GLU A 49 14.497 -0.804 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 49 12.035 -1.466 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.089 -2.872 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.968 -2.845 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.227 -4.993 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.935 -4.185 -5.999 1.00 0.00 H new ATOM 771 N ALA A 50 11.730 -0.710 -4.758 1.00 0.00 N ATOM 772 CA ALA A 50 10.742 -0.516 -3.713 1.00 0.00 C ATOM 773 C ALA A 50 9.594 0.322 -4.248 1.00 0.00 C ATOM 774 O ALA A 50 8.498 -0.195 -4.462 1.00 0.00 O ATOM 775 CB ALA A 50 11.386 0.085 -2.460 1.00 0.00 C ATOM 0 H ALA A 50 12.611 -0.225 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 50 10.331 -1.479 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.626 0.221 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.160 -0.588 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.830 1.049 -2.706 1.00 0.00 H new ATOM 781 N PHE A 51 9.821 1.618 -4.459 1.00 0.00 N ATOM 782 CA PHE A 51 8.742 2.498 -4.875 1.00 0.00 C ATOM 783 C PHE A 51 8.264 2.160 -6.289 1.00 0.00 C ATOM 784 O PHE A 51 7.110 2.449 -6.604 1.00 0.00 O ATOM 785 CB PHE A 51 9.137 3.969 -4.727 1.00 0.00 C ATOM 786 CG PHE A 51 10.279 4.376 -5.616 1.00 0.00 C ATOM 787 CD1 PHE A 51 10.033 4.613 -6.974 1.00 0.00 C ATOM 788 CD2 PHE A 51 11.584 4.475 -5.105 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.094 4.899 -7.836 1.00 0.00 C ATOM 790 CE2 PHE A 51 12.646 4.801 -5.964 1.00 0.00 C ATOM 791 CZ PHE A 51 12.406 4.983 -7.338 1.00 0.00 C ATOM 0 H PHE A 51 10.728 2.071 -4.350 1.00 0.00 H new ATOM 0 HA PHE A 51 7.895 2.332 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.272 4.593 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.409 4.161 -3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.023 4.575 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.770 4.301 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.906 5.056 -8.888 1.00 0.00 H new ATOM 0 HE2 PHE A 51 13.646 4.912 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.228 5.187 -8.009 1.00 0.00 H new ATOM 801 N GLU A 52 9.077 1.478 -7.106 1.00 0.00 N ATOM 802 CA GLU A 52 8.710 1.046 -8.456 1.00 0.00 C ATOM 803 C GLU A 52 7.381 0.288 -8.539 1.00 0.00 C ATOM 804 O GLU A 52 6.769 0.295 -9.609 1.00 0.00 O ATOM 805 CB GLU A 52 9.830 0.219 -9.103 1.00 0.00 C ATOM 806 CG GLU A 52 10.710 1.047 -10.061 1.00 0.00 C ATOM 807 CD GLU A 52 10.759 0.411 -11.450 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.705 0.348 -12.119 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.839 -0.087 -11.850 1.00 0.00 O ATOM 0 H GLU A 52 10.024 1.208 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 52 8.569 1.971 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.457 -0.209 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.390 -0.614 -9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.318 2.061 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.719 1.125 -9.657 1.00 0.00 H new ATOM 816 N LYS A 53 6.890 -0.303 -7.439 1.00 0.00 N ATOM 817 CA LYS A 53 5.559 -0.911 -7.400 1.00 0.00 C ATOM 818 C LYS A 53 4.528 -0.056 -6.666 1.00 0.00 C ATOM 819 O LYS A 53 3.353 -0.129 -7.017 1.00 0.00 O ATOM 820 CB LYS A 53 5.669 -2.332 -6.845 1.00 0.00 C ATOM 821 CG LYS A 53 5.927 -2.383 -5.346 1.00 0.00 C ATOM 822 CD LYS A 53 6.608 -3.702 -5.008 1.00 0.00 C ATOM 823 CE LYS A 53 8.122 -3.533 -5.186 1.00 0.00 C ATOM 824 NZ LYS A 53 8.850 -4.805 -5.342 1.00 0.00 N ATOM 0 H LYS A 53 7.403 -0.371 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 53 5.177 -0.969 -8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.748 -2.871 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.475 -2.853 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.556 -1.546 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.989 -2.292 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.378 -3.994 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.237 -4.496 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.308 -2.910 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.522 -3.000 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.499 -4.934 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.171 -5.593 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.394 -4.787 -6.228 1.00 0.00 H new ATOM 838 N MET A 54 4.917 0.789 -5.697 1.00 0.00 N ATOM 839 CA MET A 54 3.940 1.677 -5.060 1.00 0.00 C ATOM 840 C MET A 54 3.384 2.659 -6.085 1.00 0.00 C ATOM 841 O MET A 54 2.177 2.885 -6.131 1.00 0.00 O ATOM 842 CB MET A 54 4.458 2.399 -3.801 1.00 0.00 C ATOM 843 CG MET A 54 5.283 3.680 -4.011 1.00 0.00 C ATOM 844 SD MET A 54 5.759 4.564 -2.501 1.00 0.00 S ATOM 845 CE MET A 54 6.916 3.395 -1.753 1.00 0.00 C ATOM 0 H MET A 54 5.872 0.874 -5.348 1.00 0.00 H new ATOM 0 HA MET A 54 3.136 1.038 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.599 2.649 -3.178 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.067 1.694 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.189 3.421 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.711 4.359 -4.643 1.00 0.00 H new ATOM 0 HE1 MET A 54 6.990 3.591 -0.683 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.559 2.378 -1.912 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.898 3.511 -2.212 1.00 0.00 H new ATOM 855 N VAL A 55 4.250 3.182 -6.955 1.00 0.00 N ATOM 856 CA VAL A 55 3.907 4.111 -8.027 1.00 0.00 C ATOM 857 C VAL A 55 3.021 3.421 -9.090 1.00 0.00 C ATOM 858 O VAL A 55 2.424 4.098 -9.926 1.00 0.00 O ATOM 859 CB VAL A 55 5.236 4.717 -8.560 1.00 0.00 C ATOM 860 CG1 VAL A 55 5.022 5.693 -9.722 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.060 5.418 -7.461 1.00 0.00 C ATOM 0 H VAL A 55 5.245 2.960 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 55 3.290 4.938 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 55 5.799 3.858 -8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.985 6.083 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.539 5.173 -10.549 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.390 6.518 -9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.976 5.821 -7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.475 6.230 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.313 4.699 -6.681 1.00 0.00 H new ATOM 871 N SER A 56 2.806 2.105 -8.980 1.00 0.00 N ATOM 872 CA SER A 56 1.857 1.350 -9.794 1.00 0.00 C ATOM 873 C SER A 56 0.609 0.868 -9.022 1.00 0.00 C ATOM 874 O SER A 56 -0.185 0.115 -9.595 1.00 0.00 O ATOM 875 CB SER A 56 2.583 0.192 -10.493 1.00 0.00 C ATOM 876 OG SER A 56 3.463 0.688 -11.488 1.00 0.00 O ATOM 0 H SER A 56 3.302 1.524 -8.304 1.00 0.00 H new ATOM 0 HA SER A 56 1.464 2.036 -10.545 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.143 -0.389 -9.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.855 -0.482 -10.945 1.00 0.00 H new ATOM 0 HG SER A 56 3.920 -0.062 -11.924 1.00 0.00 H new ATOM 882 N LEU A 57 0.370 1.292 -7.761 1.00 0.00 N ATOM 883 CA LEU A 57 -0.852 0.895 -7.050 1.00 0.00 C ATOM 884 C LEU A 57 -1.674 2.141 -6.741 1.00 0.00 C ATOM 885 O LEU A 57 -2.888 2.171 -6.880 1.00 0.00 O ATOM 886 CB LEU A 57 -0.576 0.061 -5.785 1.00 0.00 C ATOM 887 CG LEU A 57 -0.791 0.694 -4.385 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.917 -0.455 -3.393 1.00 0.00 C ATOM 889 CD2 LEU A 57 0.309 1.613 -3.844 1.00 0.00 C ATOM 0 H LEU A 57 0.996 1.896 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.423 0.235 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.202 -0.830 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.460 -0.274 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.668 1.331 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.070 -0.055 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.766 -1.081 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.005 -1.052 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.023 1.982 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.243 1.056 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.445 2.456 -4.522 1.00 0.00 H new ATOM 901 N LEU A 58 -1.017 3.224 -6.371 1.00 0.00 N ATOM 902 CA LEU A 58 -1.578 4.473 -5.874 1.00 0.00 C ATOM 903 C LEU A 58 -2.426 5.258 -6.869 1.00 0.00 C ATOM 904 O LEU A 58 -2.867 6.355 -6.548 1.00 0.00 O ATOM 905 CB LEU A 58 -0.379 5.267 -5.362 1.00 0.00 C ATOM 906 CG LEU A 58 0.422 6.056 -6.412 1.00 0.00 C ATOM 907 CD1 LEU A 58 1.773 6.459 -5.819 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.605 5.361 -7.767 1.00 0.00 C ATOM 0 H LEU A 58 0.002 3.259 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.308 4.262 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.732 5.968 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.300 4.575 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.180 6.934 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.343 7.018 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.613 7.082 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.327 5.564 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.183 6.004 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.134 4.418 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.371 5.166 -8.211 1.00 0.00 H new ATOM 920 N SER A 59 -2.671 4.696 -8.052 1.00 0.00 N ATOM 921 CA SER A 59 -3.573 5.220 -9.065 1.00 0.00 C ATOM 922 C SER A 59 -4.548 4.155 -9.593 1.00 0.00 C ATOM 923 O SER A 59 -5.446 4.507 -10.362 1.00 0.00 O ATOM 924 CB SER A 59 -2.771 5.905 -10.180 1.00 0.00 C ATOM 925 OG SER A 59 -3.402 7.111 -10.581 1.00 0.00 O ATOM 0 H SER A 59 -2.224 3.825 -8.339 1.00 0.00 H new ATOM 0 HA SER A 59 -4.206 5.976 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.760 6.116 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.680 5.234 -11.034 1.00 0.00 H new ATOM 0 HG SER A 59 -2.876 7.535 -11.291 1.00 0.00 H new ATOM 931 N VAL A 60 -4.455 2.880 -9.174 1.00 0.00 N ATOM 932 CA VAL A 60 -5.610 1.995 -9.316 1.00 0.00 C ATOM 933 C VAL A 60 -6.716 2.530 -8.386 1.00 0.00 C ATOM 934 O VAL A 60 -7.863 2.647 -8.815 1.00 0.00 O ATOM 935 CB VAL A 60 -5.303 0.485 -9.098 1.00 0.00 C ATOM 936 CG1 VAL A 60 -4.703 0.150 -7.741 1.00 0.00 C ATOM 937 CG2 VAL A 60 -6.592 -0.301 -9.369 1.00 0.00 C ATOM 0 H VAL A 60 -3.627 2.459 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.943 2.017 -10.354 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.520 0.196 -9.799 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.522 -0.923 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.761 0.685 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.395 0.448 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.407 -1.365 -9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.371 0.029 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.916 -0.126 -10.395 1.00 0.00 H new ATOM 947 N LEU A 61 -6.377 2.935 -7.146 1.00 0.00 N ATOM 948 CA LEU A 61 -7.359 3.370 -6.155 1.00 0.00 C ATOM 949 C LEU A 61 -8.086 4.572 -6.714 1.00 0.00 C ATOM 950 O LEU A 61 -9.308 4.613 -6.748 1.00 0.00 O ATOM 951 CB LEU A 61 -6.736 3.789 -4.803 1.00 0.00 C ATOM 952 CG LEU A 61 -6.134 2.718 -3.881 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.915 1.405 -3.854 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.695 2.433 -4.273 1.00 0.00 C ATOM 0 H LEU A 61 -5.414 2.967 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.015 2.521 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.951 4.514 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.507 4.311 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.187 3.136 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.424 0.703 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.931 1.593 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.948 0.981 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.281 1.672 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.662 2.075 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.107 3.347 -4.188 1.00 0.00 H new ATOM 966 N LEU A 62 -7.326 5.575 -7.144 1.00 0.00 N ATOM 967 CA LEU A 62 -7.906 6.872 -7.459 1.00 0.00 C ATOM 968 C LEU A 62 -8.791 6.856 -8.697 1.00 0.00 C ATOM 969 O LEU A 62 -9.497 7.837 -8.923 1.00 0.00 O ATOM 970 CB LEU A 62 -6.788 7.865 -7.781 1.00 0.00 C ATOM 971 CG LEU A 62 -5.694 8.020 -6.726 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.958 9.334 -6.945 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.188 7.861 -5.290 1.00 0.00 C ATOM 0 H LEU A 62 -6.317 5.514 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.499 7.145 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.320 7.561 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.238 8.843 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.996 7.194 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.178 9.444 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.508 9.338 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.661 10.163 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.352 7.985 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.946 8.616 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.620 6.868 -5.162 1.00 0.00 H new ATOM 985 N SER A 63 -8.722 5.791 -9.489 1.00 0.00 N ATOM 986 CA SER A 63 -9.547 5.587 -10.659 1.00 0.00 C ATOM 987 C SER A 63 -10.791 4.745 -10.311 1.00 0.00 C ATOM 988 O SER A 63 -11.654 4.538 -11.167 1.00 0.00 O ATOM 989 CB SER A 63 -8.638 4.966 -11.720 1.00 0.00 C ATOM 990 OG SER A 63 -9.178 5.095 -13.016 1.00 0.00 O ATOM 0 H SER A 63 -8.068 5.026 -9.323 1.00 0.00 H new ATOM 0 HA SER A 63 -9.958 6.518 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.660 5.445 -11.685 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.485 3.911 -11.494 1.00 0.00 H new ATOM 0 HG SER A 63 -8.568 4.688 -13.666 1.00 0.00 H new ATOM 996 N MET A 64 -10.923 4.296 -9.056 1.00 0.00 N ATOM 997 CA MET A 64 -12.127 3.679 -8.521 1.00 0.00 C ATOM 998 C MET A 64 -12.818 4.611 -7.511 1.00 0.00 C ATOM 999 O MET A 64 -14.050 4.641 -7.475 1.00 0.00 O ATOM 1000 CB MET A 64 -11.795 2.264 -8.002 1.00 0.00 C ATOM 1001 CG MET A 64 -11.489 2.129 -6.504 1.00 0.00 C ATOM 1002 SD MET A 64 -12.985 1.702 -5.563 1.00 0.00 S ATOM 1003 CE MET A 64 -12.283 1.248 -3.963 1.00 0.00 C ATOM 0 H MET A 64 -10.169 4.357 -8.372 1.00 0.00 H new ATOM 0 HA MET A 64 -12.871 3.537 -9.305 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.635 1.610 -8.237 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.935 1.891 -8.559 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.730 1.362 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.075 3.065 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.823 0.392 -3.559 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.232 0.988 -4.087 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.370 2.089 -3.276 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.056 5.384 -6.715 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.574 6.110 -5.554 1.00 0.00 C ATOM 1015 C GLN A 65 -12.156 7.576 -5.397 1.00 0.00 C ATOM 1016 O GLN A 65 -12.795 8.271 -4.608 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.172 5.351 -4.285 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.698 5.472 -3.857 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.257 4.272 -3.032 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -10.361 4.293 -1.712 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -9.846 3.255 -3.581 1.00 0.00 N flip ATOM 0 H GLN A 65 -11.056 5.519 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.650 6.152 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.797 5.702 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.401 4.295 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.067 5.558 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.560 6.384 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.760 3.223 -4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.590 2.441 -3.022 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.094 8.035 -6.061 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.592 9.399 -5.931 1.00 0.00 C ATOM 1032 C GLY A 66 -10.210 9.810 -4.509 1.00 0.00 C ATOM 1033 O GLY A 66 -10.677 10.830 -4.010 1.00 0.00 O ATOM 0 H GLY A 66 -10.554 7.462 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.719 9.512 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.352 10.087 -6.301 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.312 9.047 -3.880 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.688 9.399 -2.604 1.00 0.00 C ATOM 1039 C ALA A 67 -7.683 10.559 -2.731 1.00 0.00 C ATOM 1040 O ALA A 67 -7.344 10.958 -3.852 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.942 8.172 -2.072 1.00 0.00 C ATOM 0 H ALA A 67 -8.993 8.152 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.481 9.720 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.470 8.417 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.646 7.352 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.178 7.872 -2.789 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.124 10.965 -1.580 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.085 11.996 -1.440 1.00 0.00 C ATOM 1049 C VAL A 68 -4.873 11.460 -0.737 1.00 0.00 C ATOM 1050 O VAL A 68 -3.739 11.685 -1.157 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.602 13.203 -0.658 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -6.579 13.190 0.864 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -6.138 14.543 -1.242 1.00 0.00 C ATOM 0 H VAL A 68 -7.397 10.565 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.814 12.303 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.671 13.080 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.984 14.129 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.184 12.360 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.553 13.071 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.539 15.360 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.049 14.586 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.496 14.637 -2.267 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.094 10.762 0.379 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.017 10.613 1.329 1.00 0.00 C ATOM 1065 C ASP A 69 -3.129 9.452 0.929 1.00 0.00 C ATOM 1066 O ASP A 69 -2.360 8.943 1.727 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.533 10.472 2.779 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.865 11.794 3.478 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.161 12.810 3.273 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -5.861 11.833 4.234 1.00 0.00 O ATOM 0 H ASP A 69 -5.974 10.312 0.631 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.420 11.525 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.426 9.847 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.781 9.946 3.367 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.192 9.084 -0.347 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.197 8.244 -0.953 1.00 0.00 C ATOM 1077 C ILE A 70 -0.796 8.722 -0.596 1.00 0.00 C ATOM 1078 O ILE A 70 0.060 7.928 -0.210 1.00 0.00 O ATOM 1079 CB ILE A 70 -2.450 8.244 -2.477 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -3.599 7.336 -2.949 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -1.172 8.157 -3.296 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.420 5.850 -2.620 1.00 0.00 C ATOM 0 H ILE A 70 -3.940 9.367 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.269 7.223 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.845 9.237 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.528 7.684 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.709 7.444 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.419 8.161 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.535 9.012 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.644 7.235 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.278 5.289 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.512 5.479 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.343 5.723 -1.540 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.579 10.023 -0.762 1.00 0.00 N ATOM 1095 CA ASN A 71 0.772 10.543 -0.750 1.00 0.00 C ATOM 1096 C ASN A 71 1.373 10.485 0.653 1.00 0.00 C ATOM 1097 O ASN A 71 2.576 10.668 0.780 1.00 0.00 O ATOM 1098 CB ASN A 71 0.718 12.013 -1.232 1.00 0.00 C ATOM 1099 CG ASN A 71 0.704 12.216 -2.748 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.570 12.880 -3.312 1.00 0.00 O ATOM 1101 ND2 ASN A 71 -0.295 11.727 -3.465 1.00 0.00 N ATOM 0 H ASN A 71 -1.310 10.720 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 71 1.400 9.939 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.173 12.480 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.578 12.542 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.337 11.904 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.023 11.173 -3.014 1.00 0.00 H new ATOM 1108 N ARG A 72 0.556 10.276 1.689 1.00 0.00 N ATOM 1109 CA ARG A 72 1.004 10.082 3.047 1.00 0.00 C ATOM 1110 C ARG A 72 1.764 8.761 3.134 1.00 0.00 C ATOM 1111 O ARG A 72 2.981 8.792 3.248 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.199 10.119 3.998 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.477 11.467 4.624 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.000 12.504 3.648 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.612 13.628 4.377 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.036 14.412 5.302 1.00 0.00 C ATOM 1117 NH1 ARG A 72 0.278 14.409 5.501 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -1.796 15.211 6.040 1.00 0.00 N ATOM 0 H ARG A 72 -0.459 10.238 1.591 1.00 0.00 H new ATOM 0 HA ARG A 72 1.680 10.883 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.086 9.800 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.037 9.392 4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.203 11.340 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.440 11.841 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.185 12.868 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.734 12.050 2.983 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.586 13.834 4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.877 13.800 4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.688 15.016 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.806 15.225 5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.370 15.811 6.746 1.00 0.00 H new ATOM 1132 N LEU A 73 1.071 7.616 3.032 1.00 0.00 N ATOM 1133 CA LEU A 73 1.652 6.280 3.179 1.00 0.00 C ATOM 1134 C LEU A 73 2.909 6.078 2.337 1.00 0.00 C ATOM 1135 O LEU A 73 3.786 5.342 2.776 1.00 0.00 O ATOM 1136 CB LEU A 73 0.634 5.162 2.866 1.00 0.00 C ATOM 1137 CG LEU A 73 0.225 5.082 1.375 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.398 3.714 0.748 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.211 5.504 1.122 1.00 0.00 C ATOM 0 H LEU A 73 0.069 7.597 2.841 1.00 0.00 H new ATOM 0 HA LEU A 73 1.938 6.211 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.058 4.204 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.260 5.319 3.469 1.00 0.00 H new ATOM 0 HG LEU A 73 0.918 5.782 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.088 3.750 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.445 3.417 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.214 2.988 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.432 5.424 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.885 4.855 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.349 6.536 1.445 1.00 0.00 H new ATOM 1151 N CYS A 74 3.001 6.707 1.160 1.00 0.00 N ATOM 1152 CA CYS A 74 4.156 6.662 0.289 1.00 0.00 C ATOM 1153 C CYS A 74 5.385 7.102 1.073 1.00 0.00 C ATOM 1154 O CYS A 74 6.322 6.320 1.219 1.00 0.00 O ATOM 1155 CB CYS A 74 3.911 7.505 -0.966 1.00 0.00 C ATOM 1156 SG CYS A 74 2.550 6.737 -1.893 1.00 0.00 S ATOM 0 H CYS A 74 2.243 7.277 0.785 1.00 0.00 H new ATOM 0 HA CYS A 74 4.332 5.644 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.658 8.530 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.812 7.551 -1.578 1.00 0.00 H new ATOM 0 HG CYS A 74 1.415 7.074 -1.356 1.00 0.00 H new ATOM 1162 N GLU A 75 5.343 8.305 1.642 1.00 0.00 N ATOM 1163 CA GLU A 75 6.435 8.874 2.414 1.00 0.00 C ATOM 1164 C GLU A 75 6.675 8.144 3.739 1.00 0.00 C ATOM 1165 O GLU A 75 7.704 8.397 4.356 1.00 0.00 O ATOM 1166 CB GLU A 75 6.185 10.368 2.698 1.00 0.00 C ATOM 1167 CG GLU A 75 6.136 11.213 1.419 1.00 0.00 C ATOM 1168 CD GLU A 75 6.437 12.690 1.690 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.768 13.311 2.539 1.00 0.00 O ATOM 1170 OE2 GLU A 75 7.367 13.239 1.045 1.00 0.00 O ATOM 0 H GLU A 75 4.532 8.920 1.575 1.00 0.00 H new ATOM 0 HA GLU A 75 7.329 8.754 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.245 10.479 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.973 10.747 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.857 10.823 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.150 11.122 0.963 1.00 0.00 H new ATOM 1177 N GLU A 76 5.787 7.251 4.189 1.00 0.00 N ATOM 1178 CA GLU A 76 6.020 6.406 5.358 1.00 0.00 C ATOM 1179 C GLU A 76 6.732 5.129 4.894 1.00 0.00 C ATOM 1180 O GLU A 76 7.873 4.883 5.267 1.00 0.00 O ATOM 1181 CB GLU A 76 4.691 6.121 6.088 1.00 0.00 C ATOM 1182 CG GLU A 76 4.830 5.351 7.420 1.00 0.00 C ATOM 1183 CD GLU A 76 5.492 6.128 8.575 1.00 0.00 C ATOM 1184 OE1 GLU A 76 5.413 7.378 8.609 1.00 0.00 O ATOM 1185 OE2 GLU A 76 6.018 5.478 9.512 1.00 0.00 O ATOM 0 H GLU A 76 4.881 7.096 3.747 1.00 0.00 H new ATOM 0 HA GLU A 76 6.660 6.911 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.191 7.069 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.043 5.551 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.837 5.035 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.409 4.446 7.237 1.00 0.00 H new ATOM 1192 N MET A 77 6.109 4.304 4.045 1.00 0.00 N ATOM 1193 CA MET A 77 6.662 3.000 3.663 1.00 0.00 C ATOM 1194 C MET A 77 7.946 3.105 2.836 1.00 0.00 C ATOM 1195 O MET A 77 8.739 2.165 2.822 1.00 0.00 O ATOM 1196 CB MET A 77 5.591 2.127 2.997 1.00 0.00 C ATOM 1197 CG MET A 77 5.162 2.593 1.606 1.00 0.00 C ATOM 1198 SD MET A 77 3.690 1.744 0.981 1.00 0.00 S ATOM 1199 CE MET A 77 3.363 2.824 -0.431 1.00 0.00 C ATOM 0 H MET A 77 5.214 4.519 3.606 1.00 0.00 H new ATOM 0 HA MET A 77 6.966 2.500 4.582 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.967 1.107 2.924 1.00 0.00 H new ATOM 0 HB3 MET A 77 4.713 2.097 3.642 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.968 3.665 1.635 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.985 2.436 0.909 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.490 2.460 -0.973 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.174 3.838 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.227 2.826 -1.095 1.00 0.00 H new ATOM 1209 N LEU A 78 8.186 4.232 2.166 1.00 0.00 N ATOM 1210 CA LEU A 78 9.436 4.479 1.459 1.00 0.00 C ATOM 1211 C LEU A 78 10.558 4.893 2.407 1.00 0.00 C ATOM 1212 O LEU A 78 11.726 4.685 2.090 1.00 0.00 O ATOM 1213 CB LEU A 78 9.172 5.588 0.434 1.00 0.00 C ATOM 1214 CG LEU A 78 10.312 5.925 -0.539 1.00 0.00 C ATOM 1215 CD1 LEU A 78 10.955 4.687 -1.169 1.00 0.00 C ATOM 1216 CD2 LEU A 78 9.718 6.812 -1.640 1.00 0.00 C ATOM 0 H LEU A 78 7.516 4.999 2.100 1.00 0.00 H new ATOM 0 HA LEU A 78 9.764 3.561 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.298 5.305 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.911 6.496 0.977 1.00 0.00 H new ATOM 0 HG LEU A 78 11.105 6.428 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.752 4.995 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.369 4.053 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.202 4.130 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.497 7.075 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.922 6.272 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.311 7.720 -1.196 1.00 0.00 H new ATOM 1228 N ASP A 79 10.231 5.443 3.573 1.00 0.00 N ATOM 1229 CA ASP A 79 11.223 5.880 4.556 1.00 0.00 C ATOM 1230 C ASP A 79 11.481 4.786 5.574 1.00 0.00 C ATOM 1231 O ASP A 79 12.623 4.536 5.931 1.00 0.00 O ATOM 1232 CB ASP A 79 10.784 7.167 5.251 1.00 0.00 C ATOM 1233 CG ASP A 79 11.691 8.342 4.895 1.00 0.00 C ATOM 1234 OD1 ASP A 79 11.840 8.620 3.683 1.00 0.00 O ATOM 1235 OD2 ASP A 79 12.261 9.000 5.792 1.00 0.00 O ATOM 0 H ASP A 79 9.267 5.600 3.866 1.00 0.00 H new ATOM 0 HA ASP A 79 12.152 6.087 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.758 7.401 4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.790 7.017 6.331 1.00 0.00 H new ATOM 1240 N ASN A 80 10.446 4.033 5.941 1.00 0.00 N ATOM 1241 CA ASN A 80 10.525 2.848 6.797 1.00 0.00 C ATOM 1242 C ASN A 80 11.543 1.839 6.260 1.00 0.00 C ATOM 1243 O ASN A 80 12.064 1.038 7.034 1.00 0.00 O ATOM 1244 CB ASN A 80 9.170 2.126 6.854 1.00 0.00 C ATOM 1245 CG ASN A 80 8.174 2.572 7.919 1.00 0.00 C ATOM 1246 OD1 ASN A 80 7.532 1.738 8.562 1.00 0.00 O ATOM 1247 ND2 ASN A 80 7.957 3.857 8.087 1.00 0.00 N ATOM 0 H ASN A 80 9.493 4.238 5.640 1.00 0.00 H new ATOM 0 HA ASN A 80 10.823 3.200 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.691 2.234 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.362 1.063 6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.253 4.172 8.754 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.493 4.539 7.551 1.00 0.00 H new ATOM 1254 N ARG A 81 11.809 1.829 4.946 1.00 0.00 N ATOM 1255 CA ARG A 81 12.865 1.005 4.363 1.00 0.00 C ATOM 1256 C ARG A 81 14.173 1.769 4.220 1.00 0.00 C ATOM 1257 O ARG A 81 15.237 1.200 4.453 1.00 0.00 O ATOM 1258 CB ARG A 81 12.410 0.344 3.064 1.00 0.00 C ATOM 1259 CG ARG A 81 12.111 1.236 1.850 1.00 0.00 C ATOM 1260 CD ARG A 81 13.006 0.956 0.648 1.00 0.00 C ATOM 1261 NE ARG A 81 13.124 -0.473 0.292 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.284 -1.080 0.000 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.416 -0.380 -0.052 1.00 0.00 N ATOM 1264 NH2 ARG A 81 14.311 -2.388 -0.233 1.00 0.00 N ATOM 0 H ARG A 81 11.298 2.391 4.265 1.00 0.00 H new ATOM 0 HA ARG A 81 13.071 0.194 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.179 -0.370 2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.510 -0.230 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.070 1.098 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.225 2.280 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.618 1.501 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.002 1.350 0.853 1.00 0.00 H new ATOM 0 HE ARG A 81 12.271 -1.032 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.404 0.623 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.295 -0.847 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.449 -2.932 -0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.194 -2.848 -0.455 1.00 0.00 H new ATOM 1278 N ALA A 82 14.109 3.050 3.864 1.00 0.00 N ATOM 1279 CA ALA A 82 15.284 3.884 3.694 1.00 0.00 C ATOM 1280 C ALA A 82 16.018 4.123 5.013 1.00 0.00 C ATOM 1281 O ALA A 82 17.223 4.312 5.021 1.00 0.00 O ATOM 1282 CB ALA A 82 14.853 5.205 3.082 1.00 0.00 C ATOM 0 H ALA A 82 13.231 3.537 3.685 1.00 0.00 H new ATOM 0 HA ALA A 82 15.984 3.369 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.725 5.845 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.384 5.022 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.140 5.697 3.744 1.00 0.00 H new ATOM 1288 N THR A 83 15.327 4.050 6.145 1.00 0.00 N ATOM 1289 CA THR A 83 15.892 4.261 7.468 1.00 0.00 C ATOM 1290 C THR A 83 16.758 3.044 7.881 1.00 0.00 C ATOM 1291 O THR A 83 17.318 3.013 8.982 1.00 0.00 O ATOM 1292 CB THR A 83 14.725 4.607 8.413 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.163 5.386 9.509 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.013 3.367 8.930 1.00 0.00 C ATOM 0 H THR A 83 14.330 3.836 6.166 1.00 0.00 H new ATOM 0 HA THR A 83 16.589 5.099 7.504 1.00 0.00 H new ATOM 0 HB THR A 83 14.017 5.186 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 83 14.401 5.591 10.090 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.199 3.664 9.591 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.610 2.802 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.719 2.745 9.480 1.00 0.00 H new ATOM 1302 N LEU A 84 16.867 2.030 7.008 1.00 0.00 N ATOM 1303 CA LEU A 84 17.780 0.892 7.079 1.00 0.00 C ATOM 1304 C LEU A 84 18.908 1.042 6.055 1.00 0.00 C ATOM 1305 O LEU A 84 19.568 0.060 5.700 1.00 0.00 O ATOM 1306 CB LEU A 84 17.017 -0.428 6.862 1.00 0.00 C ATOM 1307 CG LEU A 84 15.909 -0.659 7.897 1.00 0.00 C ATOM 1308 CD1 LEU A 84 15.054 -1.867 7.504 1.00 0.00 C ATOM 1309 CD2 LEU A 84 16.508 -0.859 9.289 1.00 0.00 C ATOM 0 H LEU A 84 16.275 1.986 6.178 1.00 0.00 H new ATOM 0 HA LEU A 84 18.225 0.869 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.579 -0.428 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.722 -1.259 6.901 1.00 0.00 H new ATOM 0 HG LEU A 84 15.271 0.224 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.272 -2.017 8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.598 -1.689 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.682 -2.756 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.707 -1.021 10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.169 -1.726 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.076 0.027 9.571 1.00 0.00 H new ATOM 1321 N GLN A 85 19.105 2.241 5.515 1.00 0.00 N ATOM 1322 CA GLN A 85 20.117 2.541 4.513 1.00 0.00 C ATOM 1323 C GLN A 85 21.038 3.620 5.042 1.00 0.00 C ATOM 1324 O GLN A 85 22.113 3.769 4.427 1.00 0.00 O ATOM 1325 CB GLN A 85 19.481 2.984 3.180 1.00 0.00 C ATOM 1326 CG GLN A 85 18.352 2.097 2.632 1.00 0.00 C ATOM 1327 CD GLN A 85 18.844 0.823 1.958 1.00 0.00 C ATOM 1328 OE1 GLN A 85 18.798 0.693 0.739 1.00 0.00 O ATOM 1329 NE2 GLN A 85 19.305 -0.167 2.705 1.00 0.00 N ATOM 0 H GLN A 85 18.546 3.055 5.772 1.00 0.00 H new ATOM 0 HA GLN A 85 20.688 1.634 4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 85 19.091 3.994 3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.268 3.039 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.683 1.829 3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.765 2.673 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.346 -0.065 3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.620 -1.033 2.267 1.00 0.00 H new TER 1338 GLN A 85