USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 707 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 49 HIS : no HD1:sc= -7.66! C(o=-9.4!,f=-13!) USER MOD Set 1.2: A 51 TYR OH : rot 4:sc= -1.76 USER MOD Set 2.1: A 48 CYS SG : rot -173:sc= -0.562 USER MOD Set 2.2: A 86 CYS SG : rot 180:sc= 0.434 USER MOD Set 3.1: A 45 CYS SG : rot 167:sc= 1.71! USER MOD Set 3.2: A 47 THR OG1 : rot -28:sc= 0.293 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= -0.153 USER MOD Set 4.2: A 30 ASN : amide:sc= -1.62 X(o=-1.8,f=-1.5!) USER MOD Set 5.1: A 22 SER OG : rot 161:sc= -3.7! USER MOD Set 5.2: A 25 GLN : amide:sc= -6.15! C(o=-9.8!,f=-12!) USER MOD Single : A 1 SER N :NH3+ -106:sc= 0.716 (180deg=0.142) USER MOD Single : A 1 SER OG : rot 110:sc= -1.07 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -88:sc= -0.547 USER MOD Single : A 7 SER OG : rot -28:sc= -1.19 USER MOD Single : A 8 HIS : no HD1:sc= -3.03! C(o=-3!,f=-7.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 154:sc= 0 (180deg=-1.17) USER MOD Single : A 53 ASN : amide:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.638 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -4.04! C(o=-4!,f=-8.9!) USER MOD Single : A 70 MET CE :methyl -151:sc= -0.712 (180deg=-3.43!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -90:sc= -2.63! USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.084 (180deg=-0.789) USER MOD Single : A 81 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.32) USER MOD Single : A 82 SER OG : rot 48:sc= -0.0654! USER MOD Single : A 85 CYS SG : rot 180:sc= -0.927 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.439 F(o=-2.7!,f=-0.44) USER MOD Single : A 90 MET CE :methyl 171:sc= -0.218 (180deg=-0.345) USER MOD Single : A 91 THR OG1 : rot 177:sc= -1.19 USER MOD Single : A 105 GLN : amide:sc= -6.5! C(o=-6.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.928 -8.753 3.615 1.00 0.00 N ATOM 2 CA SER A 1 9.860 -9.550 2.945 1.00 0.00 C ATOM 3 C SER A 1 9.790 -9.161 1.465 1.00 0.00 C ATOM 4 O SER A 1 10.260 -8.114 1.075 1.00 0.00 O ATOM 5 CB SER A 1 8.512 -9.262 3.633 1.00 0.00 C ATOM 6 OG SER A 1 8.758 -8.681 4.912 1.00 0.00 O ATOM 0 H1 SER A 1 11.751 -9.361 3.799 1.00 0.00 H new ATOM 0 H2 SER A 1 11.211 -7.964 2.999 1.00 0.00 H new ATOM 0 H3 SER A 1 10.567 -8.377 4.515 1.00 0.00 H new ATOM 0 HA SER A 1 10.083 -10.614 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.914 -8.586 3.021 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.940 -10.184 3.742 1.00 0.00 H new ATOM 0 HG SER A 1 8.492 -7.738 4.900 1.00 0.00 H new ATOM 14 N LYS A 2 9.201 -9.988 0.637 1.00 0.00 N ATOM 15 CA LYS A 2 9.101 -9.646 -0.789 1.00 0.00 C ATOM 16 C LYS A 2 7.845 -8.811 -0.984 1.00 0.00 C ATOM 17 O LYS A 2 6.769 -9.214 -0.610 1.00 0.00 O ATOM 18 CB LYS A 2 8.983 -10.948 -1.609 1.00 0.00 C ATOM 19 CG LYS A 2 10.350 -11.354 -2.191 1.00 0.00 C ATOM 20 CD LYS A 2 10.628 -10.585 -3.488 1.00 0.00 C ATOM 21 CE LYS A 2 11.922 -11.105 -4.110 1.00 0.00 C ATOM 22 NZ LYS A 2 12.105 -10.483 -5.450 1.00 0.00 N ATOM 0 H LYS A 2 8.789 -10.883 0.901 1.00 0.00 H new ATOM 0 HA LYS A 2 9.980 -9.091 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.600 -11.748 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.265 -10.810 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.137 -11.151 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.365 -12.426 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.799 -10.711 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.712 -9.518 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.770 -10.868 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.885 -12.191 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.985 -10.834 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.300 -10.731 -6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.157 -9.449 -5.349 1.00 0.00 H new ATOM 36 N VAL A 3 7.965 -7.646 -1.522 1.00 0.00 N ATOM 37 CA VAL A 3 6.774 -6.775 -1.714 1.00 0.00 C ATOM 38 C VAL A 3 6.649 -6.473 -3.197 1.00 0.00 C ATOM 39 O VAL A 3 7.573 -5.996 -3.803 1.00 0.00 O ATOM 40 CB VAL A 3 7.041 -5.489 -0.918 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.356 -4.273 -1.552 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.551 -5.680 0.506 1.00 0.00 C ATOM 0 H VAL A 3 8.846 -7.246 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 3 5.850 -7.242 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 3 8.114 -5.296 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.570 -3.384 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.731 -4.131 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.279 -4.438 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.736 -4.772 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.482 -5.892 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.083 -6.514 0.965 1.00 0.00 H new ATOM 52 N VAL A 4 5.519 -6.755 -3.789 1.00 0.00 N ATOM 53 CA VAL A 4 5.341 -6.483 -5.254 1.00 0.00 C ATOM 54 C VAL A 4 4.311 -5.368 -5.451 1.00 0.00 C ATOM 55 O VAL A 4 3.232 -5.396 -4.923 1.00 0.00 O ATOM 56 CB VAL A 4 4.874 -7.758 -5.941 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.836 -7.576 -7.474 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.828 -8.903 -5.583 1.00 0.00 C ATOM 0 H VAL A 4 4.708 -7.163 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 4 6.288 -6.163 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 4 3.866 -7.991 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.499 -8.501 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.148 -6.770 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.834 -7.329 -7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.497 -9.819 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.835 -8.656 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.831 -9.050 -4.503 1.00 0.00 H new ATOM 68 N TYR A 5 4.658 -4.416 -6.260 1.00 0.00 N ATOM 69 CA TYR A 5 3.745 -3.288 -6.583 1.00 0.00 C ATOM 70 C TYR A 5 3.280 -3.445 -8.031 1.00 0.00 C ATOM 71 O TYR A 5 4.076 -3.396 -8.941 1.00 0.00 O ATOM 72 CB TYR A 5 4.494 -1.962 -6.425 1.00 0.00 C ATOM 73 CG TYR A 5 4.712 -1.657 -4.957 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.652 -1.179 -4.180 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.976 -1.841 -4.381 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.858 -0.883 -2.822 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.180 -1.541 -3.032 1.00 0.00 C ATOM 78 CZ TYR A 5 5.122 -1.064 -2.250 1.00 0.00 C ATOM 79 OH TYR A 5 5.327 -0.762 -0.924 1.00 0.00 O ATOM 0 H TYR A 5 5.564 -4.369 -6.726 1.00 0.00 H new ATOM 0 HA TYR A 5 2.887 -3.293 -5.910 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.453 -2.014 -6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.926 -1.157 -6.891 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.677 -1.038 -4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.793 -2.215 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.040 -0.516 -2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.157 -1.678 -2.591 1.00 0.00 H new ATOM 0 HH TYR A 5 5.569 0.184 -0.838 1.00 0.00 H new ATOM 89 N VAL A 6 2.000 -3.596 -8.259 1.00 0.00 N ATOM 90 CA VAL A 6 1.499 -3.708 -9.665 1.00 0.00 C ATOM 91 C VAL A 6 0.961 -2.340 -10.053 1.00 0.00 C ATOM 92 O VAL A 6 0.021 -1.841 -9.483 1.00 0.00 O ATOM 93 CB VAL A 6 0.402 -4.769 -9.773 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.156 -5.104 -11.251 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.853 -6.030 -9.041 1.00 0.00 C ATOM 0 H VAL A 6 1.282 -3.647 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 6 2.302 -4.015 -10.335 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.518 -4.390 -9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.626 -5.860 -11.328 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.156 -4.204 -11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.075 -5.486 -11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.076 -6.791 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.771 -6.405 -9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.035 -5.796 -7.992 1.00 0.00 H new ATOM 105 N SER A 7 1.590 -1.716 -10.994 1.00 0.00 N ATOM 106 CA SER A 7 1.167 -0.356 -11.396 1.00 0.00 C ATOM 107 C SER A 7 -0.098 -0.402 -12.233 1.00 0.00 C ATOM 108 O SER A 7 -0.639 -1.447 -12.538 1.00 0.00 O ATOM 109 CB SER A 7 2.287 0.305 -12.190 1.00 0.00 C ATOM 110 OG SER A 7 2.265 -0.185 -13.527 1.00 0.00 O ATOM 0 H SER A 7 2.387 -2.091 -11.508 1.00 0.00 H new ATOM 0 HA SER A 7 0.957 0.223 -10.497 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.163 1.388 -12.185 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.251 0.093 -11.728 1.00 0.00 H new ATOM 0 HG SER A 7 1.892 -1.091 -13.537 1.00 0.00 H new ATOM 116 N HIS A 8 -0.549 0.751 -12.624 1.00 0.00 N ATOM 117 CA HIS A 8 -1.768 0.846 -13.468 1.00 0.00 C ATOM 118 C HIS A 8 -1.362 0.495 -14.895 1.00 0.00 C ATOM 119 O HIS A 8 -2.035 -0.241 -15.587 1.00 0.00 O ATOM 120 CB HIS A 8 -2.367 2.280 -13.395 1.00 0.00 C ATOM 121 CG HIS A 8 -1.436 3.213 -12.658 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.871 2.887 -11.429 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.975 4.471 -12.964 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.111 3.928 -11.047 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.141 4.916 -11.943 1.00 0.00 N ATOM 0 H HIS A 8 -0.119 1.646 -12.392 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.537 0.158 -13.116 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.544 2.657 -14.402 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.333 2.250 -12.891 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.221 5.027 -13.857 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.455 3.961 -10.127 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.346 5.811 -11.891 1.00 0.00 H new ATOM 134 N ASP A 9 -0.256 1.019 -15.334 1.00 0.00 N ATOM 135 CA ASP A 9 0.208 0.722 -16.716 1.00 0.00 C ATOM 136 C ASP A 9 0.535 -0.773 -16.833 1.00 0.00 C ATOM 137 O ASP A 9 0.805 -1.267 -17.916 1.00 0.00 O ATOM 138 CB ASP A 9 1.458 1.561 -17.024 1.00 0.00 C ATOM 139 CG ASP A 9 2.301 1.702 -15.750 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.777 2.195 -14.766 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.458 1.317 -15.787 1.00 0.00 O ATOM 0 H ASP A 9 0.348 1.641 -14.796 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.576 0.972 -17.431 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.044 1.086 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.168 2.545 -17.393 1.00 0.00 H new ATOM 146 N GLY A 10 0.505 -1.503 -15.747 1.00 0.00 N ATOM 147 CA GLY A 10 0.803 -2.972 -15.807 1.00 0.00 C ATOM 148 C GLY A 10 2.255 -3.239 -15.396 1.00 0.00 C ATOM 149 O GLY A 10 2.632 -4.363 -15.128 1.00 0.00 O ATOM 0 H GLY A 10 0.286 -1.146 -14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.126 -3.514 -15.147 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.630 -3.344 -16.817 1.00 0.00 H new ATOM 153 N THR A 11 3.077 -2.228 -15.352 1.00 0.00 N ATOM 154 CA THR A 11 4.497 -2.451 -14.961 1.00 0.00 C ATOM 155 C THR A 11 4.580 -2.837 -13.478 1.00 0.00 C ATOM 156 O THR A 11 3.982 -2.220 -12.624 1.00 0.00 O ATOM 157 CB THR A 11 5.322 -1.187 -15.291 1.00 0.00 C ATOM 158 OG1 THR A 11 6.573 -1.576 -15.834 1.00 0.00 O ATOM 159 CG2 THR A 11 5.562 -0.318 -14.052 1.00 0.00 C ATOM 0 H THR A 11 2.829 -1.262 -15.568 1.00 0.00 H new ATOM 0 HA THR A 11 4.920 -3.280 -15.528 1.00 0.00 H new ATOM 0 HB THR A 11 4.754 -0.596 -16.010 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.100 -0.777 -16.047 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.146 0.559 -14.330 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.604 -0.001 -13.639 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.107 -0.894 -13.304 1.00 0.00 H new ATOM 167 N ARG A 12 5.302 -3.883 -13.199 1.00 0.00 N ATOM 168 CA ARG A 12 5.436 -4.379 -11.786 1.00 0.00 C ATOM 169 C ARG A 12 6.799 -3.993 -11.198 1.00 0.00 C ATOM 170 O ARG A 12 7.825 -4.146 -11.829 1.00 0.00 O ATOM 171 CB ARG A 12 5.329 -5.915 -11.777 1.00 0.00 C ATOM 172 CG ARG A 12 4.021 -6.381 -12.490 1.00 0.00 C ATOM 173 CD ARG A 12 4.272 -7.543 -13.496 1.00 0.00 C ATOM 174 NE ARG A 12 3.926 -7.073 -14.871 1.00 0.00 N ATOM 175 CZ ARG A 12 4.851 -6.727 -15.737 1.00 0.00 C ATOM 176 NH1 ARG A 12 6.121 -6.717 -15.423 1.00 0.00 N ATOM 177 NH2 ARG A 12 4.485 -6.378 -16.941 1.00 0.00 N ATOM 0 H ARG A 12 5.815 -4.428 -13.892 1.00 0.00 H new ATOM 0 HA ARG A 12 4.644 -3.928 -11.189 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.196 -6.348 -12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.339 -6.279 -10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.298 -6.703 -11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.578 -5.537 -13.018 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.315 -7.858 -13.456 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.667 -8.410 -13.230 1.00 0.00 H new ATOM 0 HE ARG A 12 2.945 -7.019 -15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.416 -6.983 -14.484 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.816 -6.443 -16.118 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.497 -6.378 -17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.187 -6.106 -17.629 1.00 0.00 H new ATOM 191 N ARG A 13 6.814 -3.525 -9.969 1.00 0.00 N ATOM 192 CA ARG A 13 8.093 -3.162 -9.289 1.00 0.00 C ATOM 193 C ARG A 13 8.063 -3.823 -7.921 1.00 0.00 C ATOM 194 O ARG A 13 7.099 -3.691 -7.195 1.00 0.00 O ATOM 195 CB ARG A 13 8.199 -1.653 -9.107 1.00 0.00 C ATOM 196 CG ARG A 13 9.613 -1.308 -8.624 1.00 0.00 C ATOM 197 CD ARG A 13 9.719 0.184 -8.266 1.00 0.00 C ATOM 198 NE ARG A 13 10.278 0.941 -9.421 1.00 0.00 N ATOM 199 CZ ARG A 13 9.483 1.595 -10.238 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.190 1.394 -10.208 1.00 0.00 N ATOM 201 NH2 ARG A 13 9.985 2.424 -11.111 1.00 0.00 N ATOM 0 H ARG A 13 5.978 -3.379 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 13 8.944 -3.492 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.988 -1.144 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.459 -1.308 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.863 -1.914 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.337 -1.553 -9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.736 0.575 -8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.357 0.313 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 13 11.286 0.952 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.793 0.726 -9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.579 1.905 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.994 2.564 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.368 2.932 -11.745 1.00 0.00 H new ATOM 215 N GLU A 14 9.079 -4.565 -7.585 1.00 0.00 N ATOM 216 CA GLU A 14 9.095 -5.290 -6.280 1.00 0.00 C ATOM 217 C GLU A 14 10.268 -4.818 -5.398 1.00 0.00 C ATOM 218 O GLU A 14 11.371 -4.630 -5.874 1.00 0.00 O ATOM 219 CB GLU A 14 9.235 -6.800 -6.568 1.00 0.00 C ATOM 220 CG GLU A 14 8.572 -7.135 -7.920 1.00 0.00 C ATOM 221 CD GLU A 14 9.566 -6.898 -9.063 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.674 -7.400 -8.969 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.199 -6.219 -10.007 1.00 0.00 O ATOM 0 H GLU A 14 9.908 -4.703 -8.163 1.00 0.00 H new ATOM 0 HA GLU A 14 8.169 -5.085 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.288 -7.080 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.768 -7.377 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.240 -8.173 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.686 -6.517 -8.063 1.00 0.00 H new ATOM 230 N LEU A 15 10.036 -4.644 -4.112 1.00 0.00 N ATOM 231 CA LEU A 15 11.131 -4.203 -3.179 1.00 0.00 C ATOM 232 C LEU A 15 11.214 -5.144 -1.986 1.00 0.00 C ATOM 233 O LEU A 15 10.378 -5.995 -1.768 1.00 0.00 O ATOM 234 CB LEU A 15 10.849 -2.800 -2.572 1.00 0.00 C ATOM 235 CG LEU A 15 9.840 -2.033 -3.380 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.532 -0.730 -2.615 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.394 -1.708 -4.778 1.00 0.00 C ATOM 0 H LEU A 15 9.130 -4.790 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 15 12.045 -4.193 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.486 -2.913 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.779 -2.233 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 15 8.936 -2.627 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.801 -0.145 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.129 -0.972 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.448 -0.151 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.647 -1.153 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.297 -1.106 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.631 -2.635 -5.300 1.00 0.00 H new ATOM 249 N ASP A 16 12.198 -4.904 -1.177 1.00 0.00 N ATOM 250 CA ASP A 16 12.366 -5.656 0.065 1.00 0.00 C ATOM 251 C ASP A 16 11.995 -4.671 1.184 1.00 0.00 C ATOM 252 O ASP A 16 12.679 -3.688 1.391 1.00 0.00 O ATOM 253 CB ASP A 16 13.830 -6.089 0.207 1.00 0.00 C ATOM 254 CG ASP A 16 14.060 -7.395 -0.551 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.870 -7.399 -1.753 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.424 -8.372 0.078 1.00 0.00 O ATOM 0 H ASP A 16 12.910 -4.192 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 16 11.750 -6.555 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.488 -5.312 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.079 -6.220 1.260 1.00 0.00 H new ATOM 261 N VAL A 17 10.940 -4.925 1.910 1.00 0.00 N ATOM 262 CA VAL A 17 10.536 -4.007 3.034 1.00 0.00 C ATOM 263 C VAL A 17 10.796 -4.747 4.345 1.00 0.00 C ATOM 264 O VAL A 17 10.298 -5.833 4.576 1.00 0.00 O ATOM 265 CB VAL A 17 9.043 -3.660 2.849 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.609 -2.521 3.787 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.847 -3.234 1.393 1.00 0.00 C ATOM 0 H VAL A 17 10.331 -5.733 1.778 1.00 0.00 H new ATOM 0 HA VAL A 17 11.102 -3.076 3.042 1.00 0.00 H new ATOM 0 HB VAL A 17 8.433 -4.530 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.553 -2.303 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.767 -2.822 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.199 -1.630 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.800 -2.981 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.469 -2.364 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.132 -4.053 0.733 1.00 0.00 H new ATOM 277 N ALA A 18 11.618 -4.187 5.194 1.00 0.00 N ATOM 278 CA ALA A 18 11.967 -4.874 6.472 1.00 0.00 C ATOM 279 C ALA A 18 10.778 -4.912 7.426 1.00 0.00 C ATOM 280 O ALA A 18 9.822 -4.176 7.297 1.00 0.00 O ATOM 281 CB ALA A 18 13.134 -4.145 7.144 1.00 0.00 C ATOM 0 H ALA A 18 12.064 -3.280 5.056 1.00 0.00 H new ATOM 0 HA ALA A 18 12.250 -5.900 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.388 -4.648 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.999 -4.153 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.847 -3.114 7.353 1.00 0.00 H new ATOM 287 N ASP A 19 10.860 -5.781 8.395 1.00 0.00 N ATOM 288 CA ASP A 19 9.779 -5.912 9.390 1.00 0.00 C ATOM 289 C ASP A 19 9.581 -4.581 10.106 1.00 0.00 C ATOM 290 O ASP A 19 10.517 -3.913 10.499 1.00 0.00 O ATOM 291 CB ASP A 19 10.163 -6.990 10.402 1.00 0.00 C ATOM 292 CG ASP A 19 11.592 -6.748 10.889 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.512 -7.093 10.172 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.741 -6.222 11.983 1.00 0.00 O ATOM 0 H ASP A 19 11.648 -6.413 8.535 1.00 0.00 H new ATOM 0 HA ASP A 19 8.850 -6.191 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.473 -6.974 11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.086 -7.977 9.945 1.00 0.00 H new ATOM 299 N GLY A 20 8.354 -4.217 10.300 1.00 0.00 N ATOM 300 CA GLY A 20 8.046 -2.947 11.011 1.00 0.00 C ATOM 301 C GLY A 20 8.069 -1.749 10.060 1.00 0.00 C ATOM 302 O GLY A 20 7.808 -0.638 10.473 1.00 0.00 O ATOM 0 H GLY A 20 7.538 -4.748 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.065 -3.021 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.771 -2.792 11.810 1.00 0.00 H new ATOM 306 N VAL A 21 8.380 -1.920 8.786 1.00 0.00 N ATOM 307 CA VAL A 21 8.411 -0.737 7.871 1.00 0.00 C ATOM 308 C VAL A 21 7.073 -0.626 7.142 1.00 0.00 C ATOM 309 O VAL A 21 6.418 -1.614 6.875 1.00 0.00 O ATOM 310 CB VAL A 21 9.498 -0.925 6.806 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.506 0.263 5.851 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.876 -1.073 7.448 1.00 0.00 C ATOM 0 H VAL A 21 8.609 -2.815 8.353 1.00 0.00 H new ATOM 0 HA VAL A 21 8.610 0.155 8.465 1.00 0.00 H new ATOM 0 HB VAL A 21 9.273 -1.837 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.281 0.120 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.535 0.343 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.707 1.177 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.628 -1.205 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.106 -0.178 8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.879 -1.942 8.106 1.00 0.00 H new ATOM 322 N SER A 22 6.667 0.567 6.814 1.00 0.00 N ATOM 323 CA SER A 22 5.374 0.741 6.095 1.00 0.00 C ATOM 324 C SER A 22 5.625 0.632 4.585 1.00 0.00 C ATOM 325 O SER A 22 6.598 1.144 4.073 1.00 0.00 O ATOM 326 CB SER A 22 4.792 2.120 6.419 1.00 0.00 C ATOM 327 OG SER A 22 5.288 3.069 5.481 1.00 0.00 O ATOM 0 H SER A 22 7.174 1.430 7.012 1.00 0.00 H new ATOM 0 HA SER A 22 4.670 -0.030 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.703 2.087 6.380 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.066 2.415 7.432 1.00 0.00 H new ATOM 0 HG SER A 22 4.710 3.861 5.480 1.00 0.00 H new ATOM 333 N LEU A 23 4.754 -0.016 3.868 1.00 0.00 N ATOM 334 CA LEU A 23 4.957 -0.128 2.392 1.00 0.00 C ATOM 335 C LEU A 23 5.254 1.259 1.826 1.00 0.00 C ATOM 336 O LEU A 23 6.011 1.416 0.891 1.00 0.00 O ATOM 337 CB LEU A 23 3.678 -0.663 1.742 1.00 0.00 C ATOM 338 CG LEU A 23 3.546 -2.178 1.988 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.104 -2.599 1.715 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.459 -2.968 1.034 1.00 0.00 C ATOM 0 H LEU A 23 3.916 -0.471 4.232 1.00 0.00 H new ATOM 0 HA LEU A 23 5.786 -0.805 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.810 -0.145 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.695 -0.462 0.671 1.00 0.00 H new ATOM 0 HG LEU A 23 3.832 -2.387 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.999 -3.670 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.434 -2.058 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.848 -2.370 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.349 -4.035 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.179 -2.754 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.496 -2.675 1.197 1.00 0.00 H new ATOM 352 N MET A 24 4.658 2.265 2.400 1.00 0.00 N ATOM 353 CA MET A 24 4.892 3.647 1.910 1.00 0.00 C ATOM 354 C MET A 24 6.349 4.034 2.180 1.00 0.00 C ATOM 355 O MET A 24 6.976 4.711 1.387 1.00 0.00 O ATOM 356 CB MET A 24 3.965 4.596 2.667 1.00 0.00 C ATOM 357 CG MET A 24 4.159 6.036 2.177 1.00 0.00 C ATOM 358 SD MET A 24 3.716 6.151 0.426 1.00 0.00 S ATOM 359 CE MET A 24 4.048 7.917 0.226 1.00 0.00 C ATOM 0 H MET A 24 4.017 2.188 3.190 1.00 0.00 H new ATOM 0 HA MET A 24 4.692 3.708 0.840 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.928 4.293 2.524 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.169 4.538 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.541 6.716 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.195 6.343 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.292 8.126 -0.816 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.165 8.488 0.514 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.888 8.203 0.859 1.00 0.00 H new ATOM 369 N GLN A 25 6.892 3.615 3.290 1.00 0.00 N ATOM 370 CA GLN A 25 8.307 3.967 3.605 1.00 0.00 C ATOM 371 C GLN A 25 9.226 3.402 2.520 1.00 0.00 C ATOM 372 O GLN A 25 9.985 4.128 1.906 1.00 0.00 O ATOM 373 CB GLN A 25 8.694 3.383 4.986 1.00 0.00 C ATOM 374 CG GLN A 25 8.481 4.429 6.091 1.00 0.00 C ATOM 375 CD GLN A 25 7.037 4.930 6.052 1.00 0.00 C ATOM 376 OE1 GLN A 25 6.623 5.547 5.086 1.00 0.00 O ATOM 377 NE2 GLN A 25 6.247 4.687 7.059 1.00 0.00 N ATOM 0 H GLN A 25 6.419 3.045 3.992 1.00 0.00 H new ATOM 0 HA GLN A 25 8.415 5.051 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.093 2.498 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.737 3.065 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.699 3.992 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.170 5.263 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.595 4.170 7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.281 5.013 7.039 1.00 0.00 H new ATOM 386 N ALA A 26 9.175 2.119 2.262 1.00 0.00 N ATOM 387 CA ALA A 26 10.070 1.544 1.206 1.00 0.00 C ATOM 388 C ALA A 26 9.698 2.060 -0.185 1.00 0.00 C ATOM 389 O ALA A 26 10.538 2.133 -1.063 1.00 0.00 O ATOM 390 CB ALA A 26 9.957 0.023 1.232 1.00 0.00 C ATOM 0 H ALA A 26 8.562 1.451 2.729 1.00 0.00 H new ATOM 0 HA ALA A 26 11.094 1.853 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.605 -0.403 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.260 -0.348 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.925 -0.269 1.037 1.00 0.00 H new ATOM 396 N ALA A 27 8.464 2.423 -0.424 1.00 0.00 N ATOM 397 CA ALA A 27 8.077 2.933 -1.768 1.00 0.00 C ATOM 398 C ALA A 27 8.796 4.261 -2.047 1.00 0.00 C ATOM 399 O ALA A 27 9.474 4.415 -3.043 1.00 0.00 O ATOM 400 CB ALA A 27 6.563 3.160 -1.770 1.00 0.00 C ATOM 0 H ALA A 27 7.707 2.387 0.258 1.00 0.00 H new ATOM 0 HA ALA A 27 8.356 2.215 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.253 3.535 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.054 2.219 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.303 3.889 -1.002 1.00 0.00 H new ATOM 406 N VAL A 28 8.639 5.221 -1.174 1.00 0.00 N ATOM 407 CA VAL A 28 9.296 6.546 -1.388 1.00 0.00 C ATOM 408 C VAL A 28 10.806 6.353 -1.533 1.00 0.00 C ATOM 409 O VAL A 28 11.503 7.201 -2.054 1.00 0.00 O ATOM 410 CB VAL A 28 9.007 7.449 -0.178 1.00 0.00 C ATOM 411 CG1 VAL A 28 9.855 8.721 -0.258 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.526 7.832 -0.178 1.00 0.00 C ATOM 0 H VAL A 28 8.084 5.146 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 28 8.905 7.008 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 28 9.254 6.911 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.643 9.354 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.912 8.454 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.615 9.262 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.316 8.473 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.288 8.366 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.917 6.930 -0.115 1.00 0.00 H new ATOM 422 N SER A 29 11.316 5.247 -1.073 1.00 0.00 N ATOM 423 CA SER A 29 12.782 4.986 -1.172 1.00 0.00 C ATOM 424 C SER A 29 13.094 4.325 -2.508 1.00 0.00 C ATOM 425 O SER A 29 14.214 4.344 -2.975 1.00 0.00 O ATOM 426 CB SER A 29 13.164 4.042 -0.026 1.00 0.00 C ATOM 427 OG SER A 29 13.767 2.857 -0.537 1.00 0.00 O ATOM 0 H SER A 29 10.777 4.504 -0.628 1.00 0.00 H new ATOM 0 HA SER A 29 13.344 5.917 -1.104 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.853 4.544 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.277 3.785 0.553 1.00 0.00 H new ATOM 0 HG SER A 29 14.006 2.265 0.206 1.00 0.00 H new ATOM 433 N ASN A 30 12.094 3.764 -3.129 1.00 0.00 N ATOM 434 CA ASN A 30 12.289 3.122 -4.455 1.00 0.00 C ATOM 435 C ASN A 30 11.571 3.964 -5.502 1.00 0.00 C ATOM 436 O ASN A 30 11.470 3.583 -6.649 1.00 0.00 O ATOM 437 CB ASN A 30 11.693 1.722 -4.428 1.00 0.00 C ATOM 438 CG ASN A 30 12.614 0.794 -3.630 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.259 -0.070 -4.189 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.706 0.943 -2.338 1.00 0.00 N ATOM 0 H ASN A 30 11.141 3.724 -2.769 1.00 0.00 H new ATOM 0 HA ASN A 30 13.350 3.053 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.701 1.745 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.571 1.347 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.320 0.334 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.164 1.669 -1.868 1.00 0.00 H new ATOM 447 N GLY A 31 11.143 5.149 -5.143 1.00 0.00 N ATOM 448 CA GLY A 31 10.520 6.053 -6.162 1.00 0.00 C ATOM 449 C GLY A 31 9.167 5.521 -6.637 1.00 0.00 C ATOM 450 O GLY A 31 8.934 5.463 -7.830 1.00 0.00 O ATOM 0 H GLY A 31 11.197 5.528 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.391 7.048 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.190 6.157 -7.015 1.00 0.00 H new ATOM 454 N ILE A 32 8.286 5.097 -5.762 1.00 0.00 N ATOM 455 CA ILE A 32 6.973 4.532 -6.243 1.00 0.00 C ATOM 456 C ILE A 32 5.756 5.371 -5.838 1.00 0.00 C ATOM 457 O ILE A 32 5.072 5.923 -6.678 1.00 0.00 O ATOM 458 CB ILE A 32 6.796 3.125 -5.675 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.129 2.376 -5.747 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.732 2.370 -6.479 1.00 0.00 C ATOM 461 CD1 ILE A 32 7.900 0.893 -5.445 1.00 0.00 C ATOM 0 H ILE A 32 8.411 5.114 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 32 7.018 4.531 -7.332 1.00 0.00 H new ATOM 0 HB ILE A 32 6.474 3.192 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.570 2.492 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.835 2.799 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.610 1.367 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.784 2.904 -6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.044 2.301 -7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.850 0.360 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.478 0.786 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.209 0.475 -6.177 1.00 0.00 H new ATOM 616 N CYS A 45 -3.973 11.207 5.240 1.00 0.00 N ATOM 617 CA CYS A 45 -4.496 11.526 3.875 1.00 0.00 C ATOM 618 C CYS A 45 -5.022 10.250 3.209 1.00 0.00 C ATOM 619 O CYS A 45 -5.174 9.224 3.848 1.00 0.00 O ATOM 620 CB CYS A 45 -3.380 12.141 3.009 1.00 0.00 C ATOM 621 SG CYS A 45 -2.339 10.841 2.281 1.00 0.00 S ATOM 0 HA CYS A 45 -5.309 12.246 3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.820 12.747 2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.767 12.807 3.617 1.00 0.00 H new ATOM 0 HG CYS A 45 -1.595 11.354 1.346 1.00 0.00 H new ATOM 626 N ALA A 46 -5.297 10.316 1.936 1.00 0.00 N ATOM 627 CA ALA A 46 -5.815 9.124 1.195 1.00 0.00 C ATOM 628 C ALA A 46 -5.032 8.968 -0.110 1.00 0.00 C ATOM 629 O ALA A 46 -5.404 8.204 -0.984 1.00 0.00 O ATOM 630 CB ALA A 46 -7.308 9.341 0.893 1.00 0.00 C ATOM 0 H ALA A 46 -5.184 11.155 1.367 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.694 8.221 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.699 8.479 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.855 9.461 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.430 10.237 0.284 1.00 0.00 H new ATOM 636 N THR A 47 -3.948 9.686 -0.257 1.00 0.00 N ATOM 637 CA THR A 47 -3.141 9.580 -1.510 1.00 0.00 C ATOM 638 C THR A 47 -2.568 8.167 -1.630 1.00 0.00 C ATOM 639 O THR A 47 -2.285 7.689 -2.709 1.00 0.00 O ATOM 640 CB THR A 47 -1.989 10.586 -1.458 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.331 10.484 -0.202 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.531 12.004 -1.640 1.00 0.00 C ATOM 0 H THR A 47 -3.587 10.341 0.436 1.00 0.00 H new ATOM 0 HA THR A 47 -3.777 9.792 -2.370 1.00 0.00 H new ATOM 0 HB THR A 47 -1.282 10.369 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.964 10.165 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.707 12.716 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.033 12.081 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.240 12.227 -0.843 1.00 0.00 H new ATOM 650 N CYS A 48 -2.387 7.503 -0.528 1.00 0.00 N ATOM 651 CA CYS A 48 -1.821 6.125 -0.553 1.00 0.00 C ATOM 652 C CYS A 48 -2.931 5.103 -0.854 1.00 0.00 C ATOM 653 O CYS A 48 -2.947 4.018 -0.314 1.00 0.00 O ATOM 654 CB CYS A 48 -1.177 5.811 0.785 1.00 0.00 C ATOM 655 SG CYS A 48 -2.344 6.179 2.124 1.00 0.00 S ATOM 0 H CYS A 48 -2.609 7.858 0.402 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.066 6.065 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.885 4.762 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.268 6.399 0.909 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.742 6.056 3.270 1.00 0.00 H new ATOM 660 N HIS A 49 -3.860 5.453 -1.702 1.00 0.00 N ATOM 661 CA HIS A 49 -4.983 4.523 -2.053 1.00 0.00 C ATOM 662 C HIS A 49 -4.446 3.378 -2.929 1.00 0.00 C ATOM 663 O HIS A 49 -4.040 3.597 -4.060 1.00 0.00 O ATOM 664 CB HIS A 49 -6.020 5.341 -2.848 1.00 0.00 C ATOM 665 CG HIS A 49 -7.014 4.468 -3.583 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.881 3.575 -2.954 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.302 4.378 -4.915 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.637 2.999 -3.921 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.313 3.457 -5.128 1.00 0.00 N ATOM 0 H HIS A 49 -3.893 6.356 -2.175 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.431 4.095 -1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.557 6.000 -2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.502 5.978 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.811 4.945 -5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.405 2.262 -3.735 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.723 3.186 -6.022 1.00 0.00 H new ATOM 678 N VAL A 50 -4.457 2.151 -2.446 1.00 0.00 N ATOM 679 CA VAL A 50 -3.963 1.005 -3.282 1.00 0.00 C ATOM 680 C VAL A 50 -4.837 -0.215 -3.012 1.00 0.00 C ATOM 681 O VAL A 50 -5.697 -0.195 -2.156 1.00 0.00 O ATOM 682 CB VAL A 50 -2.478 0.679 -2.959 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.788 1.925 -2.423 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.363 -0.435 -1.904 1.00 0.00 C ATOM 0 H VAL A 50 -4.785 1.897 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.023 1.281 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.004 0.341 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.747 1.695 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.831 2.715 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.292 2.258 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.311 -0.638 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.854 -0.117 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.842 -1.340 -2.277 1.00 0.00 H new ATOM 694 N TYR A 51 -4.614 -1.277 -3.734 1.00 0.00 N ATOM 695 CA TYR A 51 -5.407 -2.515 -3.552 1.00 0.00 C ATOM 696 C TYR A 51 -4.459 -3.669 -3.187 1.00 0.00 C ATOM 697 O TYR A 51 -3.645 -4.111 -3.969 1.00 0.00 O ATOM 698 CB TYR A 51 -6.132 -2.781 -4.856 1.00 0.00 C ATOM 699 CG TYR A 51 -7.128 -1.664 -5.090 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.349 -1.604 -4.387 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.817 -0.660 -6.014 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.239 -0.550 -4.631 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.708 0.378 -6.244 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.909 0.437 -5.558 1.00 0.00 C ATOM 705 OH TYR A 51 -9.775 1.468 -5.821 1.00 0.00 O ATOM 0 H TYR A 51 -3.898 -1.336 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.135 -2.417 -2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.421 -2.833 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.644 -3.742 -4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.597 -2.367 -3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.880 -0.693 -6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.179 -0.502 -4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.463 1.145 -6.963 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.556 1.397 -5.234 1.00 0.00 H new ATOM 715 N VAL A 52 -4.589 -4.148 -1.982 1.00 0.00 N ATOM 716 CA VAL A 52 -3.734 -5.276 -1.501 1.00 0.00 C ATOM 717 C VAL A 52 -4.423 -6.596 -1.820 1.00 0.00 C ATOM 718 O VAL A 52 -5.583 -6.785 -1.509 1.00 0.00 O ATOM 719 CB VAL A 52 -3.524 -5.199 0.007 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.533 -6.286 0.436 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.979 -3.821 0.405 1.00 0.00 C ATOM 0 H VAL A 52 -5.261 -3.802 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.767 -5.209 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.481 -5.352 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.380 -6.234 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.931 -7.266 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.582 -6.132 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.835 -3.785 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.025 -3.649 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.689 -3.049 0.107 1.00 0.00 H new ATOM 731 N ASN A 53 -3.718 -7.525 -2.398 1.00 0.00 N ATOM 732 CA ASN A 53 -4.349 -8.835 -2.690 1.00 0.00 C ATOM 733 C ASN A 53 -5.015 -9.342 -1.405 1.00 0.00 C ATOM 734 O ASN A 53 -4.373 -9.484 -0.385 1.00 0.00 O ATOM 735 CB ASN A 53 -3.284 -9.827 -3.151 1.00 0.00 C ATOM 736 CG ASN A 53 -2.022 -9.631 -2.318 1.00 0.00 C ATOM 737 OD1 ASN A 53 -0.975 -10.147 -2.651 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.081 -8.914 -1.230 1.00 0.00 N ATOM 0 H ASN A 53 -2.741 -7.434 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.092 -8.730 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.650 -10.848 -3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.063 -9.677 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.247 -8.786 -0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.962 -8.481 -0.952 1.00 0.00 H new ATOM 745 N GLU A 54 -6.299 -9.560 -1.442 1.00 0.00 N ATOM 746 CA GLU A 54 -7.034 -10.014 -0.224 1.00 0.00 C ATOM 747 C GLU A 54 -6.327 -11.195 0.462 1.00 0.00 C ATOM 748 O GLU A 54 -6.814 -11.715 1.452 1.00 0.00 O ATOM 749 CB GLU A 54 -8.443 -10.446 -0.628 1.00 0.00 C ATOM 750 CG GLU A 54 -8.357 -11.440 -1.787 1.00 0.00 C ATOM 751 CD GLU A 54 -9.744 -12.021 -2.068 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.287 -12.658 -1.180 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.239 -11.822 -3.162 1.00 0.00 O ATOM 0 H GLU A 54 -6.879 -9.442 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.067 -9.184 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.952 -10.903 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.031 -9.577 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.972 -10.943 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.659 -12.241 -1.542 1.00 0.00 H new ATOM 760 N ALA A 55 -5.200 -11.636 -0.026 1.00 0.00 N ATOM 761 CA ALA A 55 -4.501 -12.789 0.605 1.00 0.00 C ATOM 762 C ALA A 55 -3.553 -12.318 1.728 1.00 0.00 C ATOM 763 O ALA A 55 -3.123 -13.114 2.534 1.00 0.00 O ATOM 764 CB ALA A 55 -3.691 -13.535 -0.445 1.00 0.00 C ATOM 0 H ALA A 55 -4.730 -11.243 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.256 -13.446 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.181 -14.378 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.357 -13.900 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.954 -12.861 -0.882 1.00 0.00 H new ATOM 770 N PHE A 56 -3.203 -11.051 1.786 1.00 0.00 N ATOM 771 CA PHE A 56 -2.272 -10.551 2.851 1.00 0.00 C ATOM 772 C PHE A 56 -3.027 -9.530 3.711 1.00 0.00 C ATOM 773 O PHE A 56 -2.552 -9.080 4.732 1.00 0.00 O ATOM 774 CB PHE A 56 -1.101 -9.874 2.137 1.00 0.00 C ATOM 775 CG PHE A 56 -0.270 -10.941 1.468 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.644 -11.444 0.218 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.868 -11.433 2.093 1.00 0.00 C ATOM 778 CE1 PHE A 56 0.125 -12.441 -0.385 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.641 -12.424 1.500 1.00 0.00 C ATOM 780 CZ PHE A 56 1.270 -12.934 0.247 1.00 0.00 C ATOM 0 H PHE A 56 -3.526 -10.336 1.134 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.911 -11.356 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.468 -9.161 1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.496 -9.313 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.524 -11.063 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.157 -11.039 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.167 -12.834 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.521 -12.799 2.001 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.865 -13.702 -0.226 1.00 0.00 H new ATOM 790 N THR A 57 -4.211 -9.171 3.281 1.00 0.00 N ATOM 791 CA THR A 57 -5.037 -8.180 4.044 1.00 0.00 C ATOM 792 C THR A 57 -5.519 -8.787 5.359 1.00 0.00 C ATOM 793 O THR A 57 -5.517 -8.143 6.386 1.00 0.00 O ATOM 794 CB THR A 57 -6.275 -7.811 3.224 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.911 -8.999 2.773 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.872 -6.961 2.023 1.00 0.00 C ATOM 0 H THR A 57 -4.645 -9.524 2.428 1.00 0.00 H new ATOM 0 HA THR A 57 -4.421 -7.302 4.241 1.00 0.00 H new ATOM 0 HB THR A 57 -6.962 -7.240 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.842 -8.802 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.760 -6.703 1.445 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.387 -6.048 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.181 -7.523 1.395 1.00 0.00 H new ATOM 804 N ASP A 58 -5.943 -10.021 5.325 1.00 0.00 N ATOM 805 CA ASP A 58 -6.438 -10.671 6.569 1.00 0.00 C ATOM 806 C ASP A 58 -5.249 -11.183 7.366 1.00 0.00 C ATOM 807 O ASP A 58 -5.384 -11.698 8.457 1.00 0.00 O ATOM 808 CB ASP A 58 -7.354 -11.840 6.208 1.00 0.00 C ATOM 809 CG ASP A 58 -6.542 -12.914 5.477 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.098 -12.649 4.374 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.376 -13.983 6.042 1.00 0.00 O ATOM 0 H ASP A 58 -5.968 -10.606 4.490 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.998 -9.949 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.802 -12.258 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.172 -11.494 5.576 1.00 0.00 H new ATOM 816 N LYS A 59 -4.084 -11.037 6.820 1.00 0.00 N ATOM 817 CA LYS A 59 -2.853 -11.501 7.502 1.00 0.00 C ATOM 818 C LYS A 59 -2.196 -10.298 8.180 1.00 0.00 C ATOM 819 O LYS A 59 -1.775 -10.354 9.313 1.00 0.00 O ATOM 820 CB LYS A 59 -1.904 -12.088 6.456 1.00 0.00 C ATOM 821 CG LYS A 59 -2.694 -12.899 5.410 1.00 0.00 C ATOM 822 CD LYS A 59 -3.439 -14.055 6.087 1.00 0.00 C ATOM 823 CE LYS A 59 -2.457 -14.949 6.858 1.00 0.00 C ATOM 824 NZ LYS A 59 -3.008 -16.330 6.948 1.00 0.00 N ATOM 0 H LYS A 59 -3.928 -10.606 5.909 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.086 -12.262 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.354 -11.286 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.168 -12.728 6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.404 -12.250 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.014 -13.289 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.193 -13.660 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.965 -14.645 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.490 -14.964 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.290 -14.547 7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.343 -16.936 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.921 -16.308 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.146 -16.712 5.991 1.00 0.00 H new ATOM 838 N VAL A 60 -2.108 -9.207 7.472 1.00 0.00 N ATOM 839 CA VAL A 60 -1.482 -7.984 8.046 1.00 0.00 C ATOM 840 C VAL A 60 -2.529 -7.332 8.984 1.00 0.00 C ATOM 841 O VAL A 60 -3.717 -7.496 8.785 1.00 0.00 O ATOM 842 CB VAL A 60 -1.037 -7.056 6.870 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.579 -5.618 7.010 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.512 -7.032 6.710 1.00 0.00 C ATOM 0 H VAL A 60 -2.445 -9.110 6.514 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.588 -8.197 8.633 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.473 -7.486 5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.239 -5.017 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.669 -5.640 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.213 -5.180 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.782 -6.376 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.967 -6.663 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.872 -8.040 6.506 1.00 0.00 H new ATOM 854 N PRO A 61 -2.093 -6.646 10.010 1.00 0.00 N ATOM 855 CA PRO A 61 -3.006 -6.018 11.022 1.00 0.00 C ATOM 856 C PRO A 61 -4.209 -5.270 10.413 1.00 0.00 C ATOM 857 O PRO A 61 -4.067 -4.274 9.736 1.00 0.00 O ATOM 858 CB PRO A 61 -2.097 -5.062 11.833 1.00 0.00 C ATOM 859 CG PRO A 61 -0.729 -5.129 11.202 1.00 0.00 C ATOM 860 CD PRO A 61 -0.684 -6.391 10.340 1.00 0.00 C ATOM 0 HA PRO A 61 -3.473 -6.788 11.636 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.486 -4.044 11.808 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.056 -5.362 12.880 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.542 -4.243 10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.046 -5.160 11.968 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.085 -6.240 9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.243 -7.228 10.881 1.00 0.00 H new ATOM 868 N ALA A 62 -5.395 -5.763 10.684 1.00 0.00 N ATOM 869 CA ALA A 62 -6.630 -5.146 10.166 1.00 0.00 C ATOM 870 C ALA A 62 -6.590 -3.636 10.324 1.00 0.00 C ATOM 871 O ALA A 62 -6.078 -3.087 11.274 1.00 0.00 O ATOM 872 CB ALA A 62 -7.832 -5.692 10.929 1.00 0.00 C ATOM 0 H ALA A 62 -5.548 -6.591 11.260 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.714 -5.387 9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.744 -5.235 10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.885 -6.773 10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.727 -5.458 11.989 1.00 0.00 H new ATOM 878 N ALA A 63 -7.131 -2.985 9.360 1.00 0.00 N ATOM 879 CA ALA A 63 -7.169 -1.493 9.342 1.00 0.00 C ATOM 880 C ALA A 63 -8.121 -0.953 10.432 1.00 0.00 C ATOM 881 O ALA A 63 -9.207 -1.459 10.640 1.00 0.00 O ATOM 882 CB ALA A 63 -7.652 -1.036 7.961 1.00 0.00 C ATOM 0 H ALA A 63 -7.567 -3.426 8.550 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.171 -1.105 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.686 0.053 7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.965 -1.400 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.649 -1.436 7.773 1.00 0.00 H new ATOM 888 N ASN A 64 -7.686 0.059 11.143 1.00 0.00 N ATOM 889 CA ASN A 64 -8.532 0.618 12.245 1.00 0.00 C ATOM 890 C ASN A 64 -9.568 1.605 11.683 1.00 0.00 C ATOM 891 O ASN A 64 -9.541 1.967 10.525 1.00 0.00 O ATOM 892 CB ASN A 64 -7.648 1.320 13.293 1.00 0.00 C ATOM 893 CG ASN A 64 -6.430 1.948 12.624 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.713 1.287 11.899 1.00 0.00 O ATOM 895 ND2 ASN A 64 -6.164 3.208 12.836 1.00 0.00 N ATOM 0 H ASN A 64 -6.786 0.521 11.009 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.061 -0.206 12.724 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.224 2.088 13.809 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.327 0.602 14.047 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.353 3.640 12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.767 3.761 13.445 1.00 0.00 H new ATOM 902 N GLU A 65 -10.496 2.005 12.509 1.00 0.00 N ATOM 903 CA GLU A 65 -11.593 2.930 12.083 1.00 0.00 C ATOM 904 C GLU A 65 -11.068 4.240 11.502 1.00 0.00 C ATOM 905 O GLU A 65 -11.803 4.960 10.859 1.00 0.00 O ATOM 906 CB GLU A 65 -12.474 3.249 13.291 1.00 0.00 C ATOM 907 CG GLU A 65 -11.667 4.052 14.315 1.00 0.00 C ATOM 908 CD GLU A 65 -12.404 4.051 15.654 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.329 4.834 15.803 1.00 0.00 O ATOM 910 OE2 GLU A 65 -12.033 3.266 16.516 1.00 0.00 O ATOM 0 H GLU A 65 -10.543 1.723 13.488 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.158 2.424 11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.349 3.817 12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.838 2.326 13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.674 3.618 14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.528 5.075 13.964 1.00 0.00 H new ATOM 917 N ARG A 66 -9.833 4.584 11.708 1.00 0.00 N ATOM 918 CA ARG A 66 -9.335 5.862 11.148 1.00 0.00 C ATOM 919 C ARG A 66 -9.045 5.675 9.653 1.00 0.00 C ATOM 920 O ARG A 66 -9.275 6.551 8.845 1.00 0.00 O ATOM 921 CB ARG A 66 -8.059 6.224 11.908 1.00 0.00 C ATOM 922 CG ARG A 66 -8.414 6.510 13.384 1.00 0.00 C ATOM 923 CD ARG A 66 -7.170 6.409 14.303 1.00 0.00 C ATOM 924 NE ARG A 66 -6.753 7.784 14.738 1.00 0.00 N ATOM 925 CZ ARG A 66 -5.498 8.191 14.671 1.00 0.00 C ATOM 926 NH1 ARG A 66 -4.574 7.470 14.087 1.00 0.00 N ATOM 927 NH2 ARG A 66 -5.176 9.347 15.185 1.00 0.00 N ATOM 0 H ARG A 66 -9.151 4.039 12.236 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.069 6.661 11.254 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.340 5.407 11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.589 7.098 11.458 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.848 7.506 13.467 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.173 5.803 13.719 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.398 5.794 15.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.352 5.921 13.773 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.461 8.424 15.097 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.816 6.571 13.670 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.612 7.807 14.049 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.890 9.923 15.631 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.211 9.674 15.140 1.00 0.00 H new ATOM 941 N GLU A 67 -8.536 4.534 9.297 1.00 0.00 N ATOM 942 CA GLU A 67 -8.211 4.237 7.883 1.00 0.00 C ATOM 943 C GLU A 67 -9.499 4.115 7.054 1.00 0.00 C ATOM 944 O GLU A 67 -9.590 4.602 5.947 1.00 0.00 O ATOM 945 CB GLU A 67 -7.463 2.908 7.863 1.00 0.00 C ATOM 946 CG GLU A 67 -6.019 3.125 8.324 1.00 0.00 C ATOM 947 CD GLU A 67 -6.007 3.765 9.710 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.842 3.399 10.520 1.00 0.00 O ATOM 949 OE2 GLU A 67 -5.158 4.610 9.948 1.00 0.00 O ATOM 0 H GLU A 67 -8.327 3.776 9.946 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.607 5.036 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.960 2.190 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.475 2.487 6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.489 2.173 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.494 3.764 7.614 1.00 0.00 H new ATOM 956 N ILE A 68 -10.485 3.452 7.590 1.00 0.00 N ATOM 957 CA ILE A 68 -11.771 3.266 6.850 1.00 0.00 C ATOM 958 C ILE A 68 -12.411 4.634 6.551 1.00 0.00 C ATOM 959 O ILE A 68 -13.123 4.789 5.579 1.00 0.00 O ATOM 960 CB ILE A 68 -12.720 2.404 7.715 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.354 0.912 7.589 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.176 2.587 7.259 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.841 0.704 7.717 1.00 0.00 C ATOM 0 H ILE A 68 -10.458 3.026 8.517 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.584 2.763 5.901 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.613 2.726 8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.870 0.341 8.361 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.697 0.530 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.831 1.974 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.459 3.635 7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.272 2.283 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.611 -0.357 7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.330 1.256 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.505 1.065 8.689 1.00 0.00 H new ATOM 975 N GLY A 69 -12.192 5.615 7.381 1.00 0.00 N ATOM 976 CA GLY A 69 -12.824 6.951 7.143 1.00 0.00 C ATOM 977 C GLY A 69 -12.070 7.740 6.062 1.00 0.00 C ATOM 978 O GLY A 69 -12.668 8.447 5.280 1.00 0.00 O ATOM 0 H GLY A 69 -11.605 5.554 8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.862 6.816 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.835 7.521 8.072 1.00 0.00 H new ATOM 982 N MET A 70 -10.777 7.599 5.985 1.00 0.00 N ATOM 983 CA MET A 70 -10.013 8.315 4.918 1.00 0.00 C ATOM 984 C MET A 70 -10.117 7.492 3.638 1.00 0.00 C ATOM 985 O MET A 70 -10.151 8.018 2.541 1.00 0.00 O ATOM 986 CB MET A 70 -8.546 8.482 5.324 1.00 0.00 C ATOM 987 CG MET A 70 -7.992 7.146 5.797 1.00 0.00 C ATOM 988 SD MET A 70 -6.297 7.370 6.400 1.00 0.00 S ATOM 989 CE MET A 70 -6.703 7.727 8.127 1.00 0.00 C ATOM 0 H MET A 70 -10.215 7.022 6.611 1.00 0.00 H new ATOM 0 HA MET A 70 -10.428 9.311 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.964 8.850 4.479 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.460 9.224 6.118 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.620 6.741 6.590 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.006 6.425 4.979 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.936 8.373 8.555 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.670 8.228 8.177 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.748 6.795 8.690 1.00 0.00 H new ATOM 999 N LEU A 71 -10.180 6.194 3.777 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.296 5.316 2.587 1.00 0.00 C ATOM 1001 C LEU A 71 -11.611 5.649 1.880 1.00 0.00 C ATOM 1002 O LEU A 71 -11.725 5.534 0.679 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.276 3.840 3.030 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.832 3.288 3.015 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -8.748 2.061 3.927 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.415 2.875 1.588 1.00 0.00 C ATOM 0 H LEU A 71 -10.156 5.706 4.672 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.461 5.477 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.695 3.750 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.905 3.247 2.366 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.161 4.072 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.731 1.670 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.019 2.344 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.435 1.294 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.395 2.490 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.089 2.101 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.465 3.742 0.929 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.599 6.087 2.602 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.889 6.451 1.960 1.00 0.00 C ATOM 1020 C GLU A 72 -13.706 7.810 1.279 1.00 0.00 C ATOM 1021 O GLU A 72 -14.589 8.329 0.621 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.977 6.529 3.041 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.226 7.251 2.520 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.599 6.714 1.129 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.696 5.506 0.995 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.780 7.521 0.234 1.00 0.00 O ATOM 0 H GLU A 72 -12.569 6.209 3.614 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.188 5.708 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.244 5.523 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.589 7.053 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.056 7.104 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.041 8.324 2.468 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.543 8.380 1.445 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.239 9.717 0.851 1.00 0.00 C ATOM 1035 C CYS A 73 -11.253 9.571 -0.319 1.00 0.00 C ATOM 1036 O CYS A 73 -10.683 10.546 -0.772 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.638 10.623 1.949 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.681 12.090 2.189 1.00 0.00 S ATOM 0 H CYS A 73 -11.776 7.969 1.977 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.156 10.164 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.556 10.069 2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.629 10.926 1.669 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.166 12.842 3.116 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.036 8.381 -0.825 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.080 8.235 -1.966 1.00 0.00 C ATOM 1046 C VAL A 74 -10.721 8.760 -3.252 1.00 0.00 C ATOM 1047 O VAL A 74 -11.912 8.999 -3.310 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.705 6.761 -2.142 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.097 6.252 -0.841 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -10.951 5.931 -2.455 1.00 0.00 C ATOM 0 H VAL A 74 -11.472 7.517 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.180 8.812 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.995 6.669 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.825 5.202 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.207 6.834 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.824 6.355 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.670 4.885 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.664 6.021 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.408 6.294 -3.375 1.00 0.00 H new ATOM 1060 N THR A 75 -9.936 8.961 -4.266 1.00 0.00 N ATOM 1061 CA THR A 75 -10.484 9.494 -5.541 1.00 0.00 C ATOM 1062 C THR A 75 -10.980 8.358 -6.447 1.00 0.00 C ATOM 1063 O THR A 75 -11.801 8.579 -7.316 1.00 0.00 O ATOM 1064 CB THR A 75 -9.384 10.269 -6.267 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.874 11.273 -5.397 1.00 0.00 O ATOM 1066 CG2 THR A 75 -9.955 10.921 -7.524 1.00 0.00 C ATOM 0 H THR A 75 -8.932 8.779 -4.269 1.00 0.00 H new ATOM 0 HA THR A 75 -11.327 10.146 -5.313 1.00 0.00 H new ATOM 0 HB THR A 75 -8.583 9.587 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.386 12.100 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.167 11.472 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.350 10.151 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.756 11.607 -7.247 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.493 7.149 -6.276 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.947 6.021 -7.150 1.00 0.00 C ATOM 1076 C ALA A 76 -12.017 5.185 -6.421 1.00 0.00 C ATOM 1077 O ALA A 76 -12.448 5.510 -5.333 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.728 5.138 -7.498 1.00 0.00 C ATOM 0 H ALA A 76 -9.802 6.897 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.385 6.418 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.047 4.313 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.984 5.736 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.292 4.742 -6.581 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.461 4.122 -7.047 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.524 3.251 -6.445 1.00 0.00 C ATOM 1086 C GLU A 77 -12.962 2.449 -5.276 1.00 0.00 C ATOM 1087 O GLU A 77 -11.939 1.823 -5.377 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.031 2.321 -7.581 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.997 0.819 -7.226 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.948 0.536 -6.063 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.424 1.488 -5.467 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.186 -0.629 -5.785 1.00 0.00 O ATOM 0 H GLU A 77 -12.129 3.816 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.345 3.846 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.053 2.600 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.424 2.487 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.284 0.225 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.983 0.523 -6.958 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.620 2.454 -4.149 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.088 1.672 -2.998 1.00 0.00 C ATOM 1101 C LEU A 78 -13.549 0.228 -3.078 1.00 0.00 C ATOM 1102 O LEU A 78 -14.624 -0.090 -3.541 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.528 2.297 -1.665 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.517 1.918 -0.569 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.264 2.789 -0.673 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.150 2.100 0.802 1.00 0.00 C ATOM 0 H LEU A 78 -14.490 2.958 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.999 1.695 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.589 3.381 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.524 1.944 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.233 0.874 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.559 2.508 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.800 2.644 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.539 3.837 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.430 1.830 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.447 3.141 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.028 1.460 0.885 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.693 -0.641 -2.634 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.965 -2.096 -2.661 1.00 0.00 C ATOM 1120 C LYS A 79 -13.220 -2.585 -1.240 1.00 0.00 C ATOM 1121 O LYS A 79 -12.792 -1.968 -0.283 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.687 -2.753 -3.191 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.619 -2.679 -4.718 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.445 -3.807 -5.346 1.00 0.00 C ATOM 1125 CE LYS A 79 -12.247 -3.791 -6.864 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.559 -2.430 -7.381 1.00 0.00 N ATOM 0 H LYS A 79 -11.785 -0.392 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.832 -2.334 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.816 -2.259 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.652 -3.795 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.993 -1.713 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.582 -2.753 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.138 -4.770 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.500 -3.680 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.221 -4.062 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.895 -4.530 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.938 -2.504 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.265 -1.978 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.692 -1.856 -7.393 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.869 -3.706 -1.078 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.107 -4.276 0.261 1.00 0.00 C ATOM 1142 C PRO A 80 -12.758 -4.511 0.956 1.00 0.00 C ATOM 1143 O PRO A 80 -12.626 -4.397 2.153 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.845 -5.605 -0.001 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.603 -5.901 -1.455 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.445 -4.547 -2.138 1.00 0.00 C ATOM 0 HA PRO A 80 -14.690 -3.623 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.460 -6.403 0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.910 -5.514 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.709 -6.511 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.435 -6.460 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.789 -4.607 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.401 -4.157 -2.487 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.754 -4.842 0.170 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.390 -5.096 0.726 1.00 0.00 C ATOM 1156 C ASN A 81 -9.426 -3.969 0.328 1.00 0.00 C ATOM 1157 O ASN A 81 -8.228 -4.163 0.296 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.859 -6.421 0.180 1.00 0.00 C ATOM 1159 CG ASN A 81 -9.674 -6.309 -1.330 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -10.602 -6.521 -2.088 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -8.504 -5.986 -1.809 1.00 0.00 N ATOM 0 H ASN A 81 -11.828 -4.947 -0.842 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.459 -5.137 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.910 -6.669 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.554 -7.228 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.369 -5.912 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.725 -5.808 -1.175 1.00 0.00 H new ATOM 1168 N SER A 82 -9.919 -2.787 0.049 1.00 0.00 N ATOM 1169 CA SER A 82 -9.010 -1.662 -0.294 1.00 0.00 C ATOM 1170 C SER A 82 -8.209 -1.282 0.946 1.00 0.00 C ATOM 1171 O SER A 82 -8.669 -1.445 2.064 1.00 0.00 O ATOM 1172 CB SER A 82 -9.846 -0.478 -0.771 1.00 0.00 C ATOM 1173 OG SER A 82 -9.388 -0.091 -2.049 1.00 0.00 O ATOM 0 H SER A 82 -10.913 -2.558 0.045 1.00 0.00 H new ATOM 0 HA SER A 82 -8.322 -1.953 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.900 -0.752 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.760 0.353 -0.071 1.00 0.00 H new ATOM 0 HG SER A 82 -9.303 -0.883 -2.620 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.004 -0.822 0.772 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.149 -0.480 1.956 1.00 0.00 C ATOM 1181 C ARG A 83 -5.315 0.775 1.681 1.00 0.00 C ATOM 1182 O ARG A 83 -5.518 1.493 0.728 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.206 -1.672 2.232 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.881 -2.697 3.160 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.675 -2.305 4.627 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.523 -3.192 5.480 1.00 0.00 N ATOM 1187 CZ ARG A 83 -6.011 -4.155 6.212 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -4.717 -4.331 6.315 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -6.817 -4.944 6.849 1.00 0.00 N ATOM 0 H ARG A 83 -6.568 -0.666 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.787 -0.283 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.932 -2.151 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.283 -1.314 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.947 -2.752 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.466 -3.689 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.625 -2.406 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.945 -1.260 4.781 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.532 -3.045 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.077 -3.711 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.350 -5.088 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.826 -4.810 6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.443 -5.699 7.424 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.369 1.022 2.549 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.472 2.205 2.427 1.00 0.00 C ATOM 1205 C LEU A 84 -2.031 1.689 2.377 1.00 0.00 C ATOM 1206 O LEU A 84 -1.731 0.623 2.874 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.676 3.144 3.637 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.094 2.954 4.221 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.085 1.805 5.252 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.548 4.253 4.909 1.00 0.00 C ATOM 0 H LEU A 84 -4.177 0.434 3.360 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.696 2.773 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.928 2.933 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.536 4.181 3.331 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.783 2.709 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.087 1.675 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.769 0.882 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.392 2.045 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.548 4.117 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.855 4.500 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.562 5.064 4.181 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.148 2.413 1.761 1.00 0.00 N ATOM 1223 CA CYS A 85 0.266 1.944 1.645 1.00 0.00 C ATOM 1224 C CYS A 85 1.124 2.428 2.831 1.00 0.00 C ATOM 1225 O CYS A 85 2.289 2.089 2.919 1.00 0.00 O ATOM 1226 CB CYS A 85 0.843 2.491 0.331 1.00 0.00 C ATOM 1227 SG CYS A 85 1.956 1.274 -0.410 1.00 0.00 S ATOM 0 H CYS A 85 -1.340 3.316 1.328 1.00 0.00 H new ATOM 0 HA CYS A 85 0.282 0.854 1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.034 2.725 -0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.381 3.420 0.519 1.00 0.00 H new ATOM 0 HG CYS A 85 2.437 1.746 -1.522 1.00 0.00 H new ATOM 1233 N CYS A 86 0.583 3.235 3.717 1.00 0.00 N ATOM 1234 CA CYS A 86 1.407 3.758 4.865 1.00 0.00 C ATOM 1235 C CYS A 86 0.960 3.169 6.211 1.00 0.00 C ATOM 1236 O CYS A 86 1.667 3.288 7.189 1.00 0.00 O ATOM 1237 CB CYS A 86 1.294 5.287 4.910 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.407 5.771 5.297 1.00 0.00 S ATOM 0 H CYS A 86 -0.386 3.554 3.698 1.00 0.00 H new ATOM 0 HA CYS A 86 2.441 3.456 4.702 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.975 5.688 5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.592 5.710 3.951 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.491 7.068 5.335 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.182 2.531 6.273 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.637 1.933 7.582 1.00 0.00 C ATOM 1245 C GLN A 87 -0.455 0.408 7.548 1.00 0.00 C ATOM 1246 O GLN A 87 -1.003 -0.312 8.353 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.116 2.277 7.814 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.429 2.237 9.320 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.760 3.426 10.009 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -1.103 4.299 9.300 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -1.835 3.561 11.220 1.00 0.00 N flip ATOM 0 H GLN A 87 -0.818 2.395 5.487 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.039 2.343 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.336 3.267 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.752 1.569 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.507 2.269 9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.070 1.303 9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.349 2.879 11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.384 4.356 11.673 1.00 0.00 H new ATOM 1260 N ILE A 88 0.306 -0.076 6.594 1.00 0.00 N ATOM 1261 CA ILE A 88 0.536 -1.558 6.471 1.00 0.00 C ATOM 1262 C ILE A 88 1.992 -1.907 6.828 1.00 0.00 C ATOM 1263 O ILE A 88 2.923 -1.393 6.254 1.00 0.00 O ATOM 1264 CB ILE A 88 0.178 -2.012 5.034 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.361 -2.138 4.943 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.862 -3.360 4.732 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.816 -2.570 3.543 1.00 0.00 C ATOM 0 H ILE A 88 0.781 0.491 5.891 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.106 -2.090 7.173 1.00 0.00 H new ATOM 0 HB ILE A 88 0.528 -1.288 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.710 -2.863 5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.819 -1.182 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.609 -3.678 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.943 -3.247 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.519 -4.110 5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.903 -2.647 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.490 -1.832 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.379 -3.539 3.301 1.00 0.00 H new ATOM 1279 N ILE A 89 2.167 -2.795 7.773 1.00 0.00 N ATOM 1280 CA ILE A 89 3.534 -3.219 8.221 1.00 0.00 C ATOM 1281 C ILE A 89 3.934 -4.539 7.559 1.00 0.00 C ATOM 1282 O ILE A 89 3.270 -5.546 7.708 1.00 0.00 O ATOM 1283 CB ILE A 89 3.517 -3.444 9.743 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.210 -2.129 10.482 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.869 -4.002 10.198 1.00 0.00 C ATOM 1286 CD1 ILE A 89 4.196 -1.023 10.083 1.00 0.00 C ATOM 0 H ILE A 89 1.403 -3.256 8.266 1.00 0.00 H new ATOM 0 HA ILE A 89 4.244 -2.439 7.944 1.00 0.00 H new ATOM 0 HB ILE A 89 2.733 -4.162 9.982 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.192 -1.811 10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.261 -2.294 11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.853 -4.160 11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.059 -4.950 9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.658 -3.293 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.953 -0.107 10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.211 -1.333 10.333 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.126 -0.843 9.010 1.00 0.00 H new ATOM 1298 N MET A 90 5.003 -4.535 6.815 1.00 0.00 N ATOM 1299 CA MET A 90 5.429 -5.781 6.127 1.00 0.00 C ATOM 1300 C MET A 90 6.111 -6.740 7.101 1.00 0.00 C ATOM 1301 O MET A 90 6.652 -6.347 8.113 1.00 0.00 O ATOM 1302 CB MET A 90 6.395 -5.436 4.992 1.00 0.00 C ATOM 1303 CG MET A 90 6.298 -6.517 3.915 1.00 0.00 C ATOM 1304 SD MET A 90 4.719 -6.328 3.046 1.00 0.00 S ATOM 1305 CE MET A 90 3.992 -7.947 3.436 1.00 0.00 C ATOM 0 H MET A 90 5.599 -3.723 6.654 1.00 0.00 H new ATOM 0 HA MET A 90 4.542 -6.270 5.725 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.149 -4.461 4.571 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.415 -5.372 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.128 -6.428 3.214 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.366 -7.507 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.949 -7.963 3.121 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.541 -8.728 2.911 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.049 -8.122 4.510 1.00 0.00 H new ATOM 1315 N THR A 91 6.102 -8.003 6.775 1.00 0.00 N ATOM 1316 CA THR A 91 6.761 -9.036 7.632 1.00 0.00 C ATOM 1317 C THR A 91 7.267 -10.145 6.707 1.00 0.00 C ATOM 1318 O THR A 91 6.679 -10.400 5.674 1.00 0.00 O ATOM 1319 CB THR A 91 5.757 -9.639 8.624 1.00 0.00 C ATOM 1320 OG1 THR A 91 5.132 -10.769 8.036 1.00 0.00 O ATOM 1321 CG2 THR A 91 4.696 -8.605 8.983 1.00 0.00 C ATOM 0 H THR A 91 5.657 -8.372 5.935 1.00 0.00 H new ATOM 0 HA THR A 91 7.575 -8.582 8.198 1.00 0.00 H new ATOM 0 HB THR A 91 6.286 -9.940 9.528 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.527 -11.184 8.686 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.987 -9.040 9.687 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.173 -7.737 9.438 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.168 -8.297 8.081 1.00 0.00 H new ATOM 1329 N PRO A 92 8.338 -10.809 7.059 1.00 0.00 N ATOM 1330 CA PRO A 92 8.892 -11.902 6.215 1.00 0.00 C ATOM 1331 C PRO A 92 7.861 -13.018 5.970 1.00 0.00 C ATOM 1332 O PRO A 92 7.768 -13.559 4.886 1.00 0.00 O ATOM 1333 CB PRO A 92 10.111 -12.418 7.006 1.00 0.00 C ATOM 1334 CG PRO A 92 9.946 -11.890 8.397 1.00 0.00 C ATOM 1335 CD PRO A 92 9.133 -10.604 8.277 1.00 0.00 C ATOM 0 HA PRO A 92 9.164 -11.551 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.147 -13.507 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.043 -12.067 6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.434 -12.615 9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.915 -11.695 8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.498 -10.449 9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.777 -9.729 8.192 1.00 0.00 H new ATOM 1343 N GLU A 93 7.094 -13.372 6.966 1.00 0.00 N ATOM 1344 CA GLU A 93 6.088 -14.462 6.759 1.00 0.00 C ATOM 1345 C GLU A 93 5.091 -14.006 5.681 1.00 0.00 C ATOM 1346 O GLU A 93 4.565 -14.796 4.928 1.00 0.00 O ATOM 1347 CB GLU A 93 5.345 -14.795 8.088 1.00 0.00 C ATOM 1348 CG GLU A 93 5.839 -13.895 9.224 1.00 0.00 C ATOM 1349 CD GLU A 93 5.077 -14.241 10.502 1.00 0.00 C ATOM 1350 OE1 GLU A 93 3.861 -14.153 10.486 1.00 0.00 O ATOM 1351 OE2 GLU A 93 5.723 -14.593 11.479 1.00 0.00 O ATOM 0 H GLU A 93 7.116 -12.964 7.900 1.00 0.00 H new ATOM 0 HA GLU A 93 6.596 -15.370 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.271 -14.663 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.507 -15.841 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.910 -14.033 9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.686 -12.847 8.967 1.00 0.00 H new ATOM 1358 N LEU A 94 4.820 -12.732 5.638 1.00 0.00 N ATOM 1359 CA LEU A 94 3.846 -12.184 4.646 1.00 0.00 C ATOM 1360 C LEU A 94 4.581 -11.806 3.363 1.00 0.00 C ATOM 1361 O LEU A 94 4.055 -11.129 2.497 1.00 0.00 O ATOM 1362 CB LEU A 94 3.143 -10.975 5.303 1.00 0.00 C ATOM 1363 CG LEU A 94 2.346 -11.421 6.568 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.270 -10.388 6.901 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.657 -12.784 6.380 1.00 0.00 C ATOM 0 H LEU A 94 5.237 -12.035 6.256 1.00 0.00 H new ATOM 0 HA LEU A 94 3.092 -12.921 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.883 -10.224 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.467 -10.508 4.587 1.00 0.00 H new ATOM 0 HG LEU A 94 3.071 -11.507 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.719 -10.708 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.739 -9.424 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.583 -10.294 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.117 -13.047 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.957 -12.726 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.408 -13.546 6.171 1.00 0.00 H new ATOM 1377 N ASP A 95 5.792 -12.259 3.226 1.00 0.00 N ATOM 1378 CA ASP A 95 6.575 -11.969 1.998 1.00 0.00 C ATOM 1379 C ASP A 95 5.812 -12.468 0.757 1.00 0.00 C ATOM 1380 O ASP A 95 5.212 -13.524 0.768 1.00 0.00 O ATOM 1381 CB ASP A 95 7.918 -12.700 2.096 1.00 0.00 C ATOM 1382 CG ASP A 95 7.669 -14.189 2.343 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.664 -14.506 2.958 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.486 -14.986 1.915 1.00 0.00 O ATOM 0 H ASP A 95 6.278 -12.825 3.921 1.00 0.00 H new ATOM 0 HA ASP A 95 6.733 -10.894 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.487 -12.563 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.515 -12.280 2.906 1.00 0.00 H new ATOM 1389 N GLY A 96 5.861 -11.715 -0.297 1.00 0.00 N ATOM 1390 CA GLY A 96 5.179 -12.107 -1.580 1.00 0.00 C ATOM 1391 C GLY A 96 3.931 -11.248 -1.777 1.00 0.00 C ATOM 1392 O GLY A 96 3.201 -11.406 -2.737 1.00 0.00 O ATOM 0 H GLY A 96 6.353 -10.822 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.860 -11.976 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.907 -13.162 -1.552 1.00 0.00 H new ATOM 1396 N ILE A 97 3.644 -10.394 -0.848 1.00 0.00 N ATOM 1397 CA ILE A 97 2.391 -9.576 -0.930 1.00 0.00 C ATOM 1398 C ILE A 97 2.262 -8.874 -2.292 1.00 0.00 C ATOM 1399 O ILE A 97 3.194 -8.284 -2.799 1.00 0.00 O ATOM 1400 CB ILE A 97 2.363 -8.547 0.197 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.072 -7.730 0.122 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.560 -7.605 0.095 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.938 -6.854 1.374 1.00 0.00 C ATOM 0 H ILE A 97 4.220 -10.218 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 97 1.543 -10.252 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 97 2.409 -9.078 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.078 -7.105 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.213 -8.396 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.522 -6.879 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.483 -8.181 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.531 -7.082 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.017 -6.274 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.912 -7.488 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.790 -6.177 1.437 1.00 0.00 H new ATOM 1415 N VAL A 98 1.095 -8.958 -2.892 1.00 0.00 N ATOM 1416 CA VAL A 98 0.867 -8.313 -4.218 1.00 0.00 C ATOM 1417 C VAL A 98 0.015 -7.057 -4.027 1.00 0.00 C ATOM 1418 O VAL A 98 -1.142 -7.128 -3.657 1.00 0.00 O ATOM 1419 CB VAL A 98 0.134 -9.294 -5.144 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.223 -8.804 -6.586 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.780 -10.681 -5.035 1.00 0.00 C ATOM 0 H VAL A 98 0.287 -9.451 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 98 1.824 -8.041 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.913 -9.355 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.298 -9.503 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.238 -7.820 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.269 -8.739 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.260 -11.377 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.828 -10.619 -5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.712 -11.034 -4.006 1.00 0.00 H new ATOM 1431 N VAL A 99 0.587 -5.905 -4.254 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.161 -4.624 -4.078 1.00 0.00 C ATOM 1433 C VAL A 99 -0.586 -4.083 -5.442 1.00 0.00 C ATOM 1434 O VAL A 99 0.215 -3.938 -6.347 1.00 0.00 O ATOM 1435 CB VAL A 99 0.760 -3.590 -3.424 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.079 -2.511 -2.735 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.653 -4.272 -2.388 1.00 0.00 C ATOM 0 H VAL A 99 1.554 -5.795 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.038 -4.807 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 99 1.381 -3.132 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.581 -1.778 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.711 -2.016 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.705 -2.970 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.306 -3.531 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.032 -4.736 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.259 -5.036 -2.876 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.840 -3.799 -5.590 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.364 -3.275 -6.892 1.00 0.00 C ATOM 1449 C ASP A 100 -2.582 -1.763 -6.775 1.00 0.00 C ATOM 1450 O ASP A 100 -3.312 -1.287 -5.926 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.679 -4.009 -7.215 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.416 -5.165 -8.192 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.841 -6.154 -7.762 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.791 -5.039 -9.343 1.00 0.00 O ATOM 0 H ASP A 100 -2.543 -3.906 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.654 -3.451 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.124 -4.393 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.396 -3.312 -7.650 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.930 -1.010 -7.625 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.052 0.480 -7.597 1.00 0.00 C ATOM 1461 C VAL A 101 -2.898 0.950 -8.808 1.00 0.00 C ATOM 1462 O VAL A 101 -2.638 0.557 -9.928 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.644 1.082 -7.701 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.663 2.543 -7.244 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.325 0.266 -6.829 1.00 0.00 C ATOM 0 H VAL A 101 -1.308 -1.371 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.534 0.800 -6.674 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.311 1.047 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.340 2.962 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.344 3.113 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.999 2.596 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.326 0.692 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.007 0.294 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.344 -0.767 -7.176 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.898 1.781 -8.594 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.768 2.290 -9.703 1.00 0.00 C ATOM 1477 C PRO A 102 -4.164 3.483 -10.459 1.00 0.00 C ATOM 1478 O PRO A 102 -3.046 3.896 -10.221 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.023 2.746 -8.959 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.511 3.231 -7.646 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.327 2.328 -7.296 1.00 0.00 C ATOM 0 HA PRO A 102 -4.926 1.527 -10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.543 3.536 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.731 1.927 -8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.201 4.274 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.285 3.174 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.526 2.889 -6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.620 1.536 -6.607 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.942 4.052 -11.343 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.488 5.244 -12.115 1.00 0.00 C ATOM 1491 C ASP A 103 -4.904 6.491 -11.329 1.00 0.00 C ATOM 1492 O ASP A 103 -4.416 7.580 -11.560 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.165 5.256 -13.488 1.00 0.00 C ATOM 1494 CG ASP A 103 -4.731 6.504 -14.258 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -5.362 7.534 -14.088 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -3.777 6.408 -15.009 1.00 0.00 O ATOM 0 H ASP A 103 -5.886 3.735 -11.565 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.408 5.220 -12.257 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.896 4.359 -14.046 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.249 5.246 -13.371 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.804 6.312 -10.403 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.292 7.435 -9.554 1.00 0.00 C ATOM 1503 C ARG A 104 -5.946 7.083 -8.118 1.00 0.00 C ATOM 1504 O ARG A 104 -6.531 6.175 -7.574 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.824 7.523 -9.652 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.293 7.828 -11.100 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.606 9.322 -11.277 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.340 10.046 -11.563 1.00 0.00 N ATOM 1509 CZ ARG A 104 -7.368 11.236 -12.097 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -8.510 11.835 -12.311 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -6.250 11.836 -12.415 1.00 0.00 N ATOM 0 H ARG A 104 -6.233 5.410 -10.194 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.845 8.377 -9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.264 6.583 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.187 8.301 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.519 7.529 -11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.180 7.238 -11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.315 9.465 -12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.073 9.719 -10.376 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.445 9.610 -11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.384 11.372 -12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.527 12.765 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.357 11.373 -12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.271 12.766 -12.833 1.00 0.00 H new ATOM 1525 N GLN A 105 -5.021 7.764 -7.488 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.674 7.420 -6.065 1.00 0.00 C ATOM 1527 C GLN A 105 -4.979 8.638 -5.188 1.00 0.00 C ATOM 1528 O GLN A 105 -5.061 8.548 -3.973 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.180 7.079 -5.995 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.331 8.306 -6.398 1.00 0.00 C ATOM 1531 CD GLN A 105 -1.979 9.135 -5.158 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -2.668 10.077 -4.831 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -0.929 8.818 -4.453 1.00 0.00 N ATOM 0 H GLN A 105 -4.492 8.538 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.254 6.566 -5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.919 6.763 -4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.959 6.242 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.419 7.978 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.881 8.920 -7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.350 8.025 -4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.687 9.363 -3.625 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.151 9.775 -5.801 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.461 11.020 -5.038 1.00 0.00 C ATOM 1544 C TRP A 106 -6.652 10.764 -4.114 1.00 0.00 C ATOM 1545 O TRP A 106 -7.166 9.658 -4.140 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.808 12.148 -6.015 1.00 0.00 C ATOM 1547 CG TRP A 106 -5.945 13.432 -5.258 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.118 13.992 -4.879 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -4.895 14.325 -4.786 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -6.852 15.170 -4.203 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -5.496 15.417 -4.117 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.491 14.292 -4.870 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -4.733 16.442 -3.559 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -2.720 15.321 -4.306 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.340 16.393 -3.651 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.033 11.680 -3.408 1.00 0.00 O ATOM 0 H TRP A 106 -5.090 9.898 -6.812 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.593 11.309 -4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.030 12.240 -6.773 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.737 11.919 -6.538 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.100 13.586 -5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.570 15.782 -3.815 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.003 13.470 -5.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.216 17.268 -3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -1.643 15.286 -4.378 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -2.742 17.181 -3.218 1.00 0.00 H new