USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 660 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 89 TYR OH : rot 180:sc= -1.42! USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot -77:sc= 0.845 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.744 K(o=1.6,f=-2.2!) USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 48 ASN :FLIP amide:sc= 0 F(o=-3.5,f=-2) USER MOD Set 3.3: A 73 ASN : amide:sc= -1.97! C(o=-2!,f=-9.9!) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.529) USER MOD Single : A 6 HIS : no HE2:sc= -8.23! C(o=-8.2!,f=-17!) USER MOD Single : A 11 THR OG1 : rot 104:sc= 0.587 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0474 (180deg=-0.338) USER MOD Single : A 17 ASN : amide:sc= -3.34! C(o=-3.3!,f=-6.6!) USER MOD Single : A 27 THR OG1 : rot 112:sc= 1.17 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= -0.239 (180deg=-0.281) USER MOD Single : A 42 ASN : amide:sc= 0.268 K(o=0.27,f=-5!) USER MOD Single : A 43 THR OG1 : rot 116:sc= -2.02! USER MOD Single : A 47 ASN : amide:sc= -0.185 K(o=-0.19,f=-3.8!) USER MOD Single : A 49 ASN : amide:sc= 0.0255 X(o=0.025,f=-0.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.411 K(o=-0.41,f=-1.3!) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.06 F(o=-3.3,f=-1.1) USER MOD Single : A 62 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 67 ASN : amide:sc= -0.0849 X(o=-0.085,f=-0.34) USER MOD Single : A 70 SER OG : rot 160:sc= -0.002 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 130:sc= 0.417 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.06) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 51:sc= -1.86! USER MOD Single : A 87 ASN :FLIP amide:sc= -4.07! C(o=-6.2!,f=-4.1!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -84:sc= 0.809 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.217 -6.195 1.779 1.00 0.00 N ATOM 27 CA ASP A 3 13.941 -6.553 2.369 1.00 0.00 C ATOM 28 C ASP A 3 13.145 -5.294 2.709 1.00 0.00 C ATOM 29 O ASP A 3 13.645 -4.361 3.338 1.00 0.00 O ATOM 30 CB ASP A 3 14.132 -7.463 3.588 1.00 0.00 C ATOM 31 CG ASP A 3 14.907 -6.829 4.714 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.120 -6.591 4.550 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.308 -6.588 5.773 1.00 0.00 O ATOM 0 HA ASP A 3 13.364 -7.122 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.153 -7.764 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.647 -8.371 3.273 1.00 0.00 H new ATOM 38 N PRO A 4 11.901 -5.264 2.221 1.00 0.00 N ATOM 39 CA PRO A 4 11.016 -4.079 2.206 1.00 0.00 C ATOM 40 C PRO A 4 10.872 -3.245 3.506 1.00 0.00 C ATOM 41 O PRO A 4 10.327 -2.145 3.441 1.00 0.00 O ATOM 42 CB PRO A 4 9.654 -4.654 1.820 1.00 0.00 C ATOM 43 CG PRO A 4 9.816 -6.131 1.701 1.00 0.00 C ATOM 44 CD PRO A 4 11.266 -6.412 1.557 1.00 0.00 C ATOM 0 HA PRO A 4 11.456 -3.349 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.905 -4.409 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.310 -4.228 0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.414 -6.633 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.265 -6.509 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.542 -7.354 2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.560 -6.484 0.510 1.00 0.00 H new ATOM 52 N LYS A 5 11.358 -3.711 4.657 1.00 0.00 N ATOM 53 CA LYS A 5 11.102 -3.000 5.930 1.00 0.00 C ATOM 54 C LYS A 5 11.949 -1.747 6.108 1.00 0.00 C ATOM 55 O LYS A 5 11.999 -1.180 7.195 1.00 0.00 O ATOM 56 CB LYS A 5 11.310 -3.914 7.137 1.00 0.00 C ATOM 57 CG LYS A 5 12.667 -4.608 7.184 1.00 0.00 C ATOM 58 CD LYS A 5 13.752 -3.708 7.762 1.00 0.00 C ATOM 59 CE LYS A 5 15.130 -4.345 7.680 1.00 0.00 C ATOM 60 NZ LYS A 5 15.124 -5.752 8.153 1.00 0.00 N ATOM 0 H LYS A 5 11.920 -4.558 4.745 1.00 0.00 H new ATOM 0 HA LYS A 5 10.058 -2.692 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.186 -3.326 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.528 -4.674 7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.590 -5.514 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.951 -4.917 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.759 -2.760 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.519 -3.483 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.484 -4.311 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.833 -3.765 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.103 -6.077 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.610 -5.813 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.655 -6.354 7.446 1.00 0.00 H new ATOM 74 N HIS A 6 12.603 -1.310 5.055 1.00 0.00 N ATOM 75 CA HIS A 6 13.470 -0.138 5.132 1.00 0.00 C ATOM 76 C HIS A 6 12.653 1.162 5.169 1.00 0.00 C ATOM 77 O HIS A 6 13.178 2.235 4.878 1.00 0.00 O ATOM 78 CB HIS A 6 14.459 -0.131 3.966 1.00 0.00 C ATOM 79 CG HIS A 6 13.833 -0.508 2.680 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.685 -1.813 2.268 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.272 0.251 1.734 1.00 0.00 C ATOM 82 CE1 HIS A 6 13.048 -1.835 1.119 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.786 -0.595 0.769 1.00 0.00 N ATOM 0 H HIS A 6 12.556 -1.743 4.133 1.00 0.00 H new ATOM 0 HA HIS A 6 14.034 -0.195 6.063 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.898 0.863 3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.275 -0.820 4.184 1.00 0.00 H new ATOM 0 HD1 HIS A 6 14.017 -2.633 2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.212 1.329 1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.785 -2.720 0.558 1.00 0.00 H new ATOM 92 N VAL A 7 11.364 1.023 5.516 1.00 0.00 N ATOM 93 CA VAL A 7 10.434 2.132 5.781 1.00 0.00 C ATOM 94 C VAL A 7 10.510 3.262 4.741 1.00 0.00 C ATOM 95 O VAL A 7 10.838 3.020 3.583 1.00 0.00 O ATOM 96 CB VAL A 7 10.603 2.665 7.226 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.399 1.520 8.215 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.954 3.334 7.447 1.00 0.00 C ATOM 0 H VAL A 7 10.927 0.108 5.623 1.00 0.00 H new ATOM 0 HA VAL A 7 9.430 1.719 5.684 1.00 0.00 H new ATOM 0 HB VAL A 7 9.847 3.433 7.390 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.517 1.893 9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.397 1.109 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.137 0.740 8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.020 3.689 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.751 2.615 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.058 4.177 6.764 1.00 0.00 H new ATOM 108 N CYS A 8 10.138 4.476 5.137 1.00 0.00 N ATOM 109 CA CYS A 8 10.036 5.588 4.201 1.00 0.00 C ATOM 110 C CYS A 8 10.119 6.941 4.878 1.00 0.00 C ATOM 111 O CYS A 8 9.884 7.072 6.081 1.00 0.00 O ATOM 112 CB CYS A 8 8.688 5.510 3.502 1.00 0.00 C ATOM 113 SG CYS A 8 8.176 7.031 2.623 1.00 0.00 S ATOM 0 H CYS A 8 9.902 4.713 6.101 1.00 0.00 H new ATOM 0 HA CYS A 8 10.874 5.502 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.715 4.688 2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.927 5.264 4.242 1.00 0.00 H new ATOM 118 N VAL A 9 10.446 7.936 4.061 1.00 0.00 N ATOM 119 CA VAL A 9 10.244 9.332 4.372 1.00 0.00 C ATOM 120 C VAL A 9 10.040 10.050 3.045 1.00 0.00 C ATOM 121 O VAL A 9 10.994 10.334 2.322 1.00 0.00 O ATOM 122 CB VAL A 9 11.482 9.912 5.074 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.462 9.612 6.562 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.725 9.322 4.436 1.00 0.00 C ATOM 0 H VAL A 9 10.868 7.783 3.145 1.00 0.00 H new ATOM 0 HA VAL A 9 9.389 9.456 5.036 1.00 0.00 H new ATOM 0 HB VAL A 9 11.481 10.996 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.351 10.035 7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.571 10.052 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.450 8.533 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.612 9.726 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.711 8.238 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.747 9.578 3.377 1.00 0.00 H new ATOM 134 N ASP A 10 8.803 10.328 2.719 1.00 0.00 N ATOM 135 CA ASP A 10 8.489 10.939 1.446 1.00 0.00 C ATOM 136 C ASP A 10 7.578 12.136 1.619 1.00 0.00 C ATOM 137 O ASP A 10 6.905 12.251 2.637 1.00 0.00 O ATOM 138 CB ASP A 10 7.866 9.898 0.515 1.00 0.00 C ATOM 139 CG ASP A 10 7.328 10.481 -0.784 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.095 11.147 -1.513 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.133 10.290 -1.080 1.00 0.00 O ATOM 0 H ASP A 10 7.996 10.142 3.314 1.00 0.00 H new ATOM 0 HA ASP A 10 9.413 11.304 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.613 9.140 0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.055 9.394 1.040 1.00 0.00 H new ATOM 146 N THR A 11 7.571 13.005 0.616 1.00 0.00 N ATOM 147 CA THR A 11 6.525 13.990 0.426 1.00 0.00 C ATOM 148 C THR A 11 6.374 14.985 1.598 1.00 0.00 C ATOM 149 O THR A 11 6.893 14.783 2.695 1.00 0.00 O ATOM 150 CB THR A 11 5.250 13.182 0.153 1.00 0.00 C ATOM 151 OG1 THR A 11 5.216 12.776 -1.220 1.00 0.00 O ATOM 152 CG2 THR A 11 3.980 13.907 0.508 1.00 0.00 C ATOM 0 H THR A 11 8.302 13.042 -0.094 1.00 0.00 H new ATOM 0 HA THR A 11 6.768 14.649 -0.408 1.00 0.00 H new ATOM 0 HB THR A 11 5.294 12.311 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.449 11.826 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.123 13.270 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.985 14.151 1.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.910 14.825 -0.075 1.00 0.00 H new ATOM 160 N ARG A 12 5.707 16.104 1.329 1.00 0.00 N ATOM 161 CA ARG A 12 5.458 17.110 2.345 1.00 0.00 C ATOM 162 C ARG A 12 4.177 16.773 3.095 1.00 0.00 C ATOM 163 O ARG A 12 4.133 16.807 4.324 1.00 0.00 O ATOM 164 CB ARG A 12 5.341 18.485 1.702 1.00 0.00 C ATOM 165 CG ARG A 12 6.383 18.756 0.627 1.00 0.00 C ATOM 166 CD ARG A 12 7.794 18.507 1.132 1.00 0.00 C ATOM 167 NE ARG A 12 8.801 18.876 0.143 1.00 0.00 N ATOM 168 CZ ARG A 12 10.046 19.224 0.448 1.00 0.00 C ATOM 169 NH1 ARG A 12 10.450 19.232 1.715 1.00 0.00 N ATOM 170 NH2 ARG A 12 10.893 19.558 -0.514 1.00 0.00 N ATOM 0 H ARG A 12 5.329 16.333 0.410 1.00 0.00 H new ATOM 0 HA ARG A 12 6.291 17.123 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.348 18.587 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.428 19.246 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.188 18.119 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.295 19.788 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.958 19.077 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.907 17.454 1.389 1.00 0.00 H new ATOM 0 HE ARG A 12 8.533 18.866 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.803 18.970 2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.407 19.500 1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.589 19.548 -1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.849 19.825 -0.281 1.00 0.00 H new ATOM 184 N ASP A 13 3.145 16.423 2.341 1.00 0.00 N ATOM 185 CA ASP A 13 1.859 16.042 2.917 1.00 0.00 C ATOM 186 C ASP A 13 1.337 14.780 2.250 1.00 0.00 C ATOM 187 O ASP A 13 0.668 14.840 1.217 1.00 0.00 O ATOM 188 CB ASP A 13 0.834 17.174 2.763 1.00 0.00 C ATOM 189 CG ASP A 13 -0.506 16.856 3.417 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.669 17.151 4.623 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.405 16.324 2.733 1.00 0.00 O ATOM 0 H ASP A 13 3.172 16.394 1.322 1.00 0.00 H new ATOM 0 HA ASP A 13 2.007 15.851 3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.239 18.086 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.677 17.373 1.703 1.00 0.00 H new ATOM 196 N ILE A 14 1.686 13.635 2.813 1.00 0.00 N ATOM 197 CA ILE A 14 1.152 12.376 2.331 1.00 0.00 C ATOM 198 C ILE A 14 -0.296 12.269 2.757 1.00 0.00 C ATOM 199 O ILE A 14 -0.634 12.560 3.908 1.00 0.00 O ATOM 200 CB ILE A 14 1.954 11.166 2.858 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.383 11.231 2.332 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.306 9.856 2.425 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.425 10.857 3.350 1.00 0.00 C ATOM 0 H ILE A 14 2.332 13.553 3.598 1.00 0.00 H new ATOM 0 HA ILE A 14 1.231 12.360 1.244 1.00 0.00 H new ATOM 0 HB ILE A 14 1.962 11.203 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.474 10.567 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.583 12.242 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.888 9.018 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.292 9.804 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.274 9.808 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.415 10.928 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.363 11.536 4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.253 9.835 3.689 1.00 0.00 H new ATOM 215 N PRO A 15 -1.168 11.885 1.822 1.00 0.00 N ATOM 216 CA PRO A 15 -2.611 11.840 2.048 1.00 0.00 C ATOM 217 C PRO A 15 -2.997 11.025 3.278 1.00 0.00 C ATOM 218 O PRO A 15 -2.312 10.079 3.672 1.00 0.00 O ATOM 219 CB PRO A 15 -3.128 11.189 0.777 1.00 0.00 C ATOM 220 CG PRO A 15 -2.127 11.552 -0.254 1.00 0.00 C ATOM 221 CD PRO A 15 -0.822 11.450 0.452 1.00 0.00 C ATOM 0 HA PRO A 15 -3.028 12.828 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.210 10.108 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.120 11.558 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.172 10.876 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.296 12.559 -0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.429 10.433 0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.065 12.091 0.001 1.00 0.00 H new ATOM 229 N LYS A 16 -4.117 11.423 3.873 1.00 0.00 N ATOM 230 CA LYS A 16 -4.583 10.891 5.141 1.00 0.00 C ATOM 231 C LYS A 16 -4.820 9.399 5.095 1.00 0.00 C ATOM 232 O LYS A 16 -4.519 8.683 6.049 1.00 0.00 O ATOM 233 CB LYS A 16 -5.869 11.619 5.533 1.00 0.00 C ATOM 234 CG LYS A 16 -6.485 11.139 6.830 1.00 0.00 C ATOM 235 CD LYS A 16 -5.539 11.330 7.999 1.00 0.00 C ATOM 236 CE LYS A 16 -6.198 10.957 9.318 1.00 0.00 C ATOM 237 NZ LYS A 16 -7.361 11.832 9.623 1.00 0.00 N ATOM 0 H LYS A 16 -4.733 12.135 3.479 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.804 11.057 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.658 12.685 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.599 11.500 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.411 11.683 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.747 10.085 6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.648 10.719 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.211 12.369 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.525 9.918 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.467 11.031 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.603 11.749 10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.119 12.820 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.176 11.540 9.047 1.00 0.00 H new ATOM 251 N ASN A 17 -5.361 8.929 4.002 1.00 0.00 N ATOM 252 CA ASN A 17 -5.626 7.518 3.852 1.00 0.00 C ATOM 253 C ASN A 17 -4.550 6.911 2.978 1.00 0.00 C ATOM 254 O ASN A 17 -4.792 6.009 2.177 1.00 0.00 O ATOM 255 CB ASN A 17 -7.027 7.315 3.280 1.00 0.00 C ATOM 256 CG ASN A 17 -8.085 7.948 4.156 1.00 0.00 C ATOM 257 OD1 ASN A 17 -9.165 8.310 3.694 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.761 8.111 5.426 1.00 0.00 N ATOM 0 H ASN A 17 -5.628 9.501 3.201 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.600 7.013 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.078 7.745 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.228 6.248 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.419 8.553 6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.853 7.795 5.765 1.00 0.00 H new ATOM 265 N ALA A 18 -3.344 7.429 3.158 1.00 0.00 N ATOM 266 CA ALA A 18 -2.215 7.069 2.331 1.00 0.00 C ATOM 267 C ALA A 18 -0.988 6.834 3.181 1.00 0.00 C ATOM 268 O ALA A 18 -0.846 7.396 4.267 1.00 0.00 O ATOM 269 CB ALA A 18 -1.923 8.161 1.321 1.00 0.00 C ATOM 0 H ALA A 18 -3.126 8.111 3.884 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.467 6.150 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.070 7.871 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.794 8.309 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.695 9.089 1.845 1.00 0.00 H new ATOM 275 N GLY A 19 -0.117 5.995 2.677 1.00 0.00 N ATOM 276 CA GLY A 19 1.147 5.753 3.320 1.00 0.00 C ATOM 277 C GLY A 19 2.277 5.927 2.344 1.00 0.00 C ATOM 278 O GLY A 19 2.081 5.762 1.139 1.00 0.00 O ATOM 0 H GLY A 19 -0.264 5.466 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.273 6.440 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.165 4.743 3.730 1.00 0.00 H new ATOM 282 N CYS A 20 3.457 6.241 2.838 1.00 0.00 N ATOM 283 CA CYS A 20 4.565 6.533 1.963 1.00 0.00 C ATOM 284 C CYS A 20 5.569 5.407 2.002 1.00 0.00 C ATOM 285 O CYS A 20 5.700 4.703 3.008 1.00 0.00 O ATOM 286 CB CYS A 20 5.249 7.840 2.354 1.00 0.00 C ATOM 287 SG CYS A 20 6.532 7.668 3.643 1.00 0.00 S ATOM 0 H CYS A 20 3.669 6.299 3.834 1.00 0.00 H new ATOM 0 HA CYS A 20 4.173 6.638 0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.702 8.278 1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.492 8.541 2.705 1.00 0.00 H new ATOM 292 N PHE A 21 6.241 5.215 0.893 1.00 0.00 N ATOM 293 CA PHE A 21 7.350 4.303 0.830 1.00 0.00 C ATOM 294 C PHE A 21 8.574 4.956 0.238 1.00 0.00 C ATOM 295 O PHE A 21 8.496 5.709 -0.715 1.00 0.00 O ATOM 296 CB PHE A 21 7.022 3.069 0.034 1.00 0.00 C ATOM 297 CG PHE A 21 8.233 2.248 -0.230 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.883 1.719 0.832 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.719 2.012 -1.503 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.001 0.958 0.673 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.848 1.246 -1.676 1.00 0.00 C ATOM 302 CZ PHE A 21 10.486 0.717 -0.572 1.00 0.00 C ATOM 0 H PHE A 21 6.033 5.686 0.013 1.00 0.00 H new ATOM 0 HA PHE A 21 7.559 4.013 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.288 2.472 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.564 3.357 -0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.507 1.904 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.212 2.429 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.502 0.546 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.233 1.060 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.371 0.111 -0.699 1.00 0.00 H new ATOM 312 N ARG A 22 9.700 4.657 0.828 1.00 0.00 N ATOM 313 CA ARG A 22 10.963 5.083 0.297 1.00 0.00 C ATOM 314 C ARG A 22 11.942 3.931 0.376 1.00 0.00 C ATOM 315 O ARG A 22 12.266 3.461 1.461 1.00 0.00 O ATOM 316 CB ARG A 22 11.516 6.286 1.042 1.00 0.00 C ATOM 317 CG ARG A 22 12.981 6.444 0.763 1.00 0.00 C ATOM 318 CD ARG A 22 13.636 7.532 1.556 1.00 0.00 C ATOM 319 NE ARG A 22 15.044 7.574 1.202 1.00 0.00 N ATOM 320 CZ ARG A 22 15.838 8.630 1.358 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.343 9.793 1.755 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.131 8.524 1.081 1.00 0.00 N ATOM 0 H ARG A 22 9.766 4.113 1.688 1.00 0.00 H new ATOM 0 HA ARG A 22 10.815 5.385 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.982 7.187 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.354 6.165 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.485 5.501 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.119 6.649 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.163 8.491 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.519 7.346 2.624 1.00 0.00 H new ATOM 0 HE ARG A 22 15.455 6.730 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.345 9.885 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.960 10.597 1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.511 7.637 0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.745 9.330 1.198 1.00 0.00 H new ATOM 336 N ASP A 23 12.424 3.469 -0.758 1.00 0.00 N ATOM 337 CA ASP A 23 13.205 2.257 -0.744 1.00 0.00 C ATOM 338 C ASP A 23 14.667 2.534 -0.410 1.00 0.00 C ATOM 339 O ASP A 23 15.052 3.685 -0.206 1.00 0.00 O ATOM 340 CB ASP A 23 13.082 1.477 -2.047 1.00 0.00 C ATOM 341 CG ASP A 23 14.191 1.765 -3.030 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.161 2.823 -3.680 1.00 0.00 O ATOM 343 OD2 ASP A 23 15.108 0.927 -3.136 1.00 0.00 O ATOM 0 H ASP A 23 12.294 3.900 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 23 12.793 1.632 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.074 0.410 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.125 1.712 -2.513 1.00 0.00 H new ATOM 348 N ASP A 24 15.472 1.481 -0.368 1.00 0.00 N ATOM 349 CA ASP A 24 16.882 1.590 -0.013 1.00 0.00 C ATOM 350 C ASP A 24 17.640 2.475 -1.009 1.00 0.00 C ATOM 351 O ASP A 24 18.601 3.155 -0.644 1.00 0.00 O ATOM 352 CB ASP A 24 17.489 0.188 0.037 1.00 0.00 C ATOM 353 CG ASP A 24 18.974 0.188 0.343 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.352 0.489 1.494 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.770 -0.141 -0.558 1.00 0.00 O ATOM 0 H ASP A 24 15.168 0.530 -0.578 1.00 0.00 H new ATOM 0 HA ASP A 24 16.968 2.062 0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.969 -0.399 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.322 -0.307 -0.920 1.00 0.00 H new ATOM 360 N ASP A 25 17.177 2.483 -2.259 1.00 0.00 N ATOM 361 CA ASP A 25 17.809 3.274 -3.318 1.00 0.00 C ATOM 362 C ASP A 25 17.607 4.773 -3.081 1.00 0.00 C ATOM 363 O ASP A 25 18.381 5.604 -3.566 1.00 0.00 O ATOM 364 CB ASP A 25 17.232 2.878 -4.682 1.00 0.00 C ATOM 365 CG ASP A 25 17.911 3.573 -5.847 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.962 3.076 -6.308 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.379 4.596 -6.330 1.00 0.00 O ATOM 0 H ASP A 25 16.364 1.949 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 25 18.879 3.068 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.324 1.799 -4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.167 3.111 -4.700 1.00 0.00 H new ATOM 372 N GLY A 26 16.578 5.113 -2.315 1.00 0.00 N ATOM 373 CA GLY A 26 16.277 6.506 -2.043 1.00 0.00 C ATOM 374 C GLY A 26 15.000 6.951 -2.721 1.00 0.00 C ATOM 375 O GLY A 26 14.578 8.100 -2.588 1.00 0.00 O ATOM 0 H GLY A 26 15.944 4.446 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.187 6.654 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.104 7.129 -2.383 1.00 0.00 H new ATOM 379 N THR A 27 14.396 6.030 -3.453 1.00 0.00 N ATOM 380 CA THR A 27 13.143 6.273 -4.149 1.00 0.00 C ATOM 381 C THR A 27 12.030 6.569 -3.155 1.00 0.00 C ATOM 382 O THR A 27 11.969 5.938 -2.113 1.00 0.00 O ATOM 383 CB THR A 27 12.764 5.017 -4.925 1.00 0.00 C ATOM 384 OG1 THR A 27 13.902 4.531 -5.645 1.00 0.00 O ATOM 385 CG2 THR A 27 11.608 5.262 -5.882 1.00 0.00 C ATOM 0 H THR A 27 14.763 5.087 -3.582 1.00 0.00 H new ATOM 0 HA THR A 27 13.270 7.126 -4.816 1.00 0.00 H new ATOM 0 HB THR A 27 12.436 4.269 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.196 3.681 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.373 4.339 -6.413 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.734 5.590 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.887 6.033 -6.600 1.00 0.00 H new ATOM 393 N GLU A 28 11.143 7.495 -3.482 1.00 0.00 N ATOM 394 CA GLU A 28 10.082 7.882 -2.560 1.00 0.00 C ATOM 395 C GLU A 28 8.729 7.950 -3.272 1.00 0.00 C ATOM 396 O GLU A 28 8.549 8.712 -4.222 1.00 0.00 O ATOM 397 CB GLU A 28 10.426 9.223 -1.917 1.00 0.00 C ATOM 398 CG GLU A 28 11.632 9.177 -0.989 1.00 0.00 C ATOM 399 CD GLU A 28 12.277 10.533 -0.795 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.900 11.489 -1.506 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.181 10.646 0.056 1.00 0.00 O ATOM 0 H GLU A 28 11.134 7.991 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 28 10.002 7.124 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.614 9.953 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.562 9.576 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.324 8.785 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.369 8.484 -1.394 1.00 0.00 H new ATOM 408 N GLU A 29 7.781 7.151 -2.794 1.00 0.00 N ATOM 409 CA GLU A 29 6.469 7.032 -3.412 1.00 0.00 C ATOM 410 C GLU A 29 5.417 6.762 -2.358 1.00 0.00 C ATOM 411 O GLU A 29 5.596 5.893 -1.515 1.00 0.00 O ATOM 412 CB GLU A 29 6.478 5.884 -4.420 1.00 0.00 C ATOM 413 CG GLU A 29 5.101 5.342 -4.787 1.00 0.00 C ATOM 414 CD GLU A 29 5.190 4.077 -5.619 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.733 4.136 -6.743 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.736 3.013 -5.150 1.00 0.00 O ATOM 0 H GLU A 29 7.903 6.568 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 29 6.235 7.967 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.974 6.222 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.077 5.069 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.538 5.138 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.548 6.101 -5.340 1.00 0.00 H new ATOM 423 N TRP A 30 4.321 7.491 -2.393 1.00 0.00 N ATOM 424 CA TRP A 30 3.225 7.181 -1.504 1.00 0.00 C ATOM 425 C TRP A 30 2.086 6.535 -2.276 1.00 0.00 C ATOM 426 O TRP A 30 1.946 6.719 -3.489 1.00 0.00 O ATOM 427 CB TRP A 30 2.755 8.415 -0.720 1.00 0.00 C ATOM 428 CG TRP A 30 2.226 9.537 -1.554 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.854 10.713 -1.826 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.952 9.600 -2.195 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.051 11.505 -2.607 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.873 10.843 -2.846 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.129 8.720 -2.286 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.248 11.229 -3.574 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.241 9.107 -3.012 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.288 10.353 -3.644 1.00 0.00 C ATOM 0 H TRP A 30 4.168 8.286 -3.014 1.00 0.00 H new ATOM 0 HA TRP A 30 3.583 6.465 -0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.978 8.107 -0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.590 8.788 -0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.840 10.983 -1.478 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.290 12.434 -2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.097 7.756 -1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.292 12.189 -4.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.085 8.437 -3.092 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.171 10.628 -4.202 1.00 0.00 H new ATOM 447 N ARG A 31 1.292 5.762 -1.566 1.00 0.00 N ATOM 448 CA ARG A 31 0.176 5.031 -2.142 1.00 0.00 C ATOM 449 C ARG A 31 -1.024 5.154 -1.230 1.00 0.00 C ATOM 450 O ARG A 31 -0.941 5.756 -0.163 1.00 0.00 O ATOM 451 CB ARG A 31 0.493 3.551 -2.338 1.00 0.00 C ATOM 452 CG ARG A 31 1.564 3.261 -3.368 1.00 0.00 C ATOM 453 CD ARG A 31 1.555 1.793 -3.774 1.00 0.00 C ATOM 454 NE ARG A 31 2.726 1.447 -4.576 1.00 0.00 N ATOM 455 CZ ARG A 31 2.842 0.335 -5.301 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.930 -0.627 -5.207 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.906 0.163 -6.075 1.00 0.00 N ATOM 0 H ARG A 31 1.402 5.620 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.029 5.464 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.805 3.131 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.421 3.034 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.405 3.885 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.542 3.523 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.528 1.169 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.649 1.578 -4.341 1.00 0.00 H new ATOM 0 HE ARG A 31 3.508 2.101 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.135 -0.517 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.025 -1.476 -5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.630 0.880 -6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.000 -0.686 -6.632 1.00 0.00 H new ATOM 471 N CYS A 32 -2.113 4.525 -1.619 1.00 0.00 N ATOM 472 CA CYS A 32 -3.355 4.622 -0.879 1.00 0.00 C ATOM 473 C CYS A 32 -3.597 3.291 -0.228 1.00 0.00 C ATOM 474 O CYS A 32 -3.527 2.251 -0.879 1.00 0.00 O ATOM 475 CB CYS A 32 -4.526 4.934 -1.817 1.00 0.00 C ATOM 476 SG CYS A 32 -4.336 6.485 -2.747 1.00 0.00 S ATOM 0 H CYS A 32 -2.164 3.936 -2.450 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.282 5.423 -0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.642 4.111 -2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.444 4.984 -1.231 1.00 0.00 H new ATOM 481 N LEU A 33 -3.835 3.345 1.075 1.00 0.00 N ATOM 482 CA LEU A 33 -3.854 2.157 1.905 1.00 0.00 C ATOM 483 C LEU A 33 -4.899 1.166 1.420 1.00 0.00 C ATOM 484 O LEU A 33 -5.786 1.508 0.638 1.00 0.00 O ATOM 485 CB LEU A 33 -4.111 2.526 3.366 1.00 0.00 C ATOM 486 CG LEU A 33 -3.217 3.622 3.959 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.265 3.575 5.477 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.781 3.507 3.477 1.00 0.00 C ATOM 0 H LEU A 33 -4.019 4.211 1.581 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.876 1.682 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.149 2.843 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.996 1.627 3.971 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.603 4.581 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.626 4.358 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.290 3.730 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.913 2.603 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.183 4.303 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.375 2.540 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.753 3.596 2.391 1.00 0.00 H new ATOM 500 N LEU A 34 -4.788 -0.049 1.904 1.00 0.00 N ATOM 501 CA LEU A 34 -5.579 -1.150 1.424 1.00 0.00 C ATOM 502 C LEU A 34 -7.060 -0.891 1.607 1.00 0.00 C ATOM 503 O LEU A 34 -7.504 -0.427 2.655 1.00 0.00 O ATOM 504 CB LEU A 34 -5.135 -2.415 2.140 1.00 0.00 C ATOM 505 CG LEU A 34 -3.630 -2.639 2.058 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.228 -3.922 2.751 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.192 -2.647 0.606 1.00 0.00 C ATOM 0 H LEU A 34 -4.139 -0.300 2.649 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.422 -1.271 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.433 -2.359 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.650 -3.273 1.707 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.128 -1.820 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.149 -4.054 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.515 -3.873 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.731 -4.765 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.115 -2.807 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.706 -3.449 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.440 -1.690 0.146 1.00 0.00 H new ATOM 519 N GLY A 35 -7.808 -1.145 0.551 1.00 0.00 N ATOM 520 CA GLY A 35 -9.230 -0.916 0.580 1.00 0.00 C ATOM 521 C GLY A 35 -9.590 0.482 0.136 1.00 0.00 C ATOM 522 O GLY A 35 -10.746 0.761 -0.147 1.00 0.00 O ATOM 0 H GLY A 35 -7.452 -1.509 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.726 -1.640 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.603 -1.082 1.591 1.00 0.00 H new ATOM 526 N TYR A 36 -8.601 1.359 0.054 1.00 0.00 N ATOM 527 CA TYR A 36 -8.856 2.759 -0.238 1.00 0.00 C ATOM 528 C TYR A 36 -8.737 3.048 -1.726 1.00 0.00 C ATOM 529 O TYR A 36 -8.548 2.143 -2.540 1.00 0.00 O ATOM 530 CB TYR A 36 -7.895 3.650 0.538 1.00 0.00 C ATOM 531 CG TYR A 36 -7.994 3.495 2.037 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.946 2.672 2.626 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.126 4.171 2.860 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.024 2.536 3.995 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.194 4.043 4.233 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.144 3.223 4.797 1.00 0.00 C ATOM 537 OH TYR A 36 -8.216 3.093 6.166 1.00 0.00 O ATOM 0 H TYR A 36 -7.617 1.126 0.185 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.878 2.977 0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.875 3.426 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.088 4.690 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.638 2.129 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.376 4.815 2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.772 1.893 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.504 4.585 4.862 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.522 3.644 6.584 1.00 0.00 H new ATOM 547 N LYS A 37 -8.850 4.319 -2.070 1.00 0.00 N ATOM 548 CA LYS A 37 -8.859 4.748 -3.450 1.00 0.00 C ATOM 549 C LYS A 37 -8.250 6.136 -3.565 1.00 0.00 C ATOM 550 O LYS A 37 -8.006 6.800 -2.555 1.00 0.00 O ATOM 551 CB LYS A 37 -10.298 4.755 -3.967 1.00 0.00 C ATOM 552 CG LYS A 37 -11.231 5.634 -3.150 1.00 0.00 C ATOM 553 CD LYS A 37 -12.665 5.515 -3.623 1.00 0.00 C ATOM 554 CE LYS A 37 -13.594 6.407 -2.820 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.972 6.415 -3.374 1.00 0.00 N ATOM 0 H LYS A 37 -8.938 5.080 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.266 4.059 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.302 5.097 -5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.681 3.734 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.169 5.353 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.909 6.673 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.724 5.783 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.992 4.479 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.621 6.065 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.201 7.424 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.575 7.036 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.951 6.766 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.357 5.449 -3.361 1.00 0.00 H new ATOM 569 N LYS A 38 -8.007 6.564 -4.792 1.00 0.00 N ATOM 570 CA LYS A 38 -7.420 7.870 -5.045 1.00 0.00 C ATOM 571 C LYS A 38 -8.516 8.896 -5.275 1.00 0.00 C ATOM 572 O LYS A 38 -9.443 8.657 -6.050 1.00 0.00 O ATOM 573 CB LYS A 38 -6.496 7.817 -6.259 1.00 0.00 C ATOM 574 CG LYS A 38 -5.505 8.960 -6.298 1.00 0.00 C ATOM 575 CD LYS A 38 -4.307 8.668 -5.415 1.00 0.00 C ATOM 576 CE LYS A 38 -3.149 8.109 -6.228 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.462 6.792 -6.846 1.00 0.00 N ATOM 0 H LYS A 38 -8.208 6.023 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.833 8.160 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.953 6.872 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.098 7.834 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.174 9.125 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.990 9.879 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.993 9.581 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.588 7.955 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.885 8.819 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.276 8.005 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.613 6.419 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.770 6.127 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.222 6.909 -7.546 1.00 0.00 H new ATOM 591 N GLY A 39 -8.407 10.030 -4.602 1.00 0.00 N ATOM 592 CA GLY A 39 -9.439 11.036 -4.687 1.00 0.00 C ATOM 593 C GLY A 39 -9.106 12.143 -5.667 1.00 0.00 C ATOM 594 O GLY A 39 -9.140 11.939 -6.880 1.00 0.00 O ATOM 0 H GLY A 39 -7.621 10.270 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.375 10.564 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.600 11.468 -3.699 1.00 0.00 H new ATOM 598 N GLU A 40 -8.746 13.303 -5.136 1.00 0.00 N ATOM 599 CA GLU A 40 -8.531 14.504 -5.942 1.00 0.00 C ATOM 600 C GLU A 40 -7.123 14.541 -6.535 1.00 0.00 C ATOM 601 O GLU A 40 -6.401 15.537 -6.418 1.00 0.00 O ATOM 602 CB GLU A 40 -8.784 15.750 -5.087 1.00 0.00 C ATOM 603 CG GLU A 40 -7.897 15.832 -3.855 1.00 0.00 C ATOM 604 CD GLU A 40 -8.265 16.979 -2.944 1.00 0.00 C ATOM 605 OE1 GLU A 40 -9.305 16.888 -2.264 1.00 0.00 O ATOM 606 OE2 GLU A 40 -7.520 17.979 -2.908 1.00 0.00 O ATOM 0 H GLU A 40 -8.594 13.442 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.234 14.485 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.626 16.638 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.828 15.760 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.967 14.896 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.858 15.941 -4.167 1.00 0.00 H new ATOM 613 N GLY A 41 -6.744 13.457 -7.183 1.00 0.00 N ATOM 614 CA GLY A 41 -5.441 13.384 -7.799 1.00 0.00 C ATOM 615 C GLY A 41 -4.388 12.861 -6.849 1.00 0.00 C ATOM 616 O GLY A 41 -3.951 11.719 -6.960 1.00 0.00 O ATOM 0 H GLY A 41 -7.318 12.621 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.491 12.737 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.151 14.374 -8.150 1.00 0.00 H new ATOM 620 N ASN A 42 -3.985 13.690 -5.903 1.00 0.00 N ATOM 621 CA ASN A 42 -2.945 13.316 -4.955 1.00 0.00 C ATOM 622 C ASN A 42 -3.507 13.151 -3.551 1.00 0.00 C ATOM 623 O ASN A 42 -2.953 13.665 -2.580 1.00 0.00 O ATOM 624 CB ASN A 42 -1.794 14.335 -4.952 1.00 0.00 C ATOM 625 CG ASN A 42 -2.227 15.755 -4.614 1.00 0.00 C ATOM 626 OD1 ASN A 42 -3.355 16.168 -4.890 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.317 16.518 -4.029 1.00 0.00 N ATOM 0 H ASN A 42 -4.361 14.629 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.548 12.354 -5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.040 14.015 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.319 14.334 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.539 17.485 -3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.394 16.139 -3.817 1.00 0.00 H new ATOM 634 N THR A 43 -4.597 12.410 -3.447 1.00 0.00 N ATOM 635 CA THR A 43 -5.178 12.092 -2.157 1.00 0.00 C ATOM 636 C THR A 43 -5.671 10.672 -2.129 1.00 0.00 C ATOM 637 O THR A 43 -6.009 10.086 -3.158 1.00 0.00 O ATOM 638 CB THR A 43 -6.343 13.010 -1.751 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.321 13.083 -2.790 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.846 14.396 -1.397 1.00 0.00 C ATOM 0 H THR A 43 -5.098 12.017 -4.244 1.00 0.00 H new ATOM 0 HA THR A 43 -4.370 12.243 -1.441 1.00 0.00 H new ATOM 0 HB THR A 43 -6.812 12.579 -0.866 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.165 12.699 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.691 15.024 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.147 14.330 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.342 14.833 -2.259 1.00 0.00 H new ATOM 648 N CYS A 44 -5.714 10.132 -0.943 1.00 0.00 N ATOM 649 CA CYS A 44 -6.214 8.807 -0.734 1.00 0.00 C ATOM 650 C CYS A 44 -7.377 8.868 0.221 1.00 0.00 C ATOM 651 O CYS A 44 -7.330 9.574 1.230 1.00 0.00 O ATOM 652 CB CYS A 44 -5.111 7.915 -0.202 1.00 0.00 C ATOM 653 SG CYS A 44 -3.696 7.785 -1.336 1.00 0.00 S ATOM 0 H CYS A 44 -5.402 10.602 -0.093 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.557 8.383 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.767 8.304 0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.514 6.919 -0.016 1.00 0.00 H new ATOM 658 N VAL A 45 -8.413 8.137 -0.111 1.00 0.00 N ATOM 659 CA VAL A 45 -9.658 8.184 0.621 1.00 0.00 C ATOM 660 C VAL A 45 -10.216 6.791 0.780 1.00 0.00 C ATOM 661 O VAL A 45 -9.935 5.904 -0.026 1.00 0.00 O ATOM 662 CB VAL A 45 -10.703 9.080 -0.074 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.294 10.544 0.001 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.897 8.663 -1.526 1.00 0.00 C ATOM 0 H VAL A 45 -8.418 7.490 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.445 8.614 1.599 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.650 8.956 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.046 11.158 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.211 10.846 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.332 10.679 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.639 9.310 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.950 8.751 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.241 7.629 -1.565 1.00 0.00 H new ATOM 674 N GLU A 46 -10.994 6.610 1.825 1.00 0.00 N ATOM 675 CA GLU A 46 -11.529 5.311 2.166 1.00 0.00 C ATOM 676 C GLU A 46 -12.572 4.841 1.168 1.00 0.00 C ATOM 677 O GLU A 46 -13.634 5.446 1.027 1.00 0.00 O ATOM 678 CB GLU A 46 -12.144 5.359 3.558 1.00 0.00 C ATOM 679 CG GLU A 46 -11.134 5.198 4.677 1.00 0.00 C ATOM 680 CD GLU A 46 -11.751 5.403 6.041 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.257 4.420 6.621 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.739 6.547 6.536 1.00 0.00 O ATOM 0 H GLU A 46 -11.273 7.358 2.460 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.703 4.600 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.663 6.309 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.894 4.572 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.694 4.202 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.323 5.912 4.537 1.00 0.00 H new ATOM 689 N ASN A 47 -12.255 3.759 0.484 1.00 0.00 N ATOM 690 CA ASN A 47 -13.209 3.095 -0.377 1.00 0.00 C ATOM 691 C ASN A 47 -13.841 1.950 0.393 1.00 0.00 C ATOM 692 O ASN A 47 -13.150 1.112 0.965 1.00 0.00 O ATOM 693 CB ASN A 47 -12.513 2.598 -1.650 1.00 0.00 C ATOM 694 CG ASN A 47 -13.404 1.773 -2.557 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.631 1.881 -2.536 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.776 0.965 -3.393 1.00 0.00 N ATOM 0 H ASN A 47 -11.335 3.319 0.510 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.991 3.790 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.141 3.457 -2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.646 2.001 -1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.309 0.401 -4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.758 0.906 -3.377 1.00 0.00 H new ATOM 703 N ASN A 48 -15.153 1.943 0.459 1.00 0.00 N ATOM 704 CA ASN A 48 -15.861 0.930 1.230 1.00 0.00 C ATOM 705 C ASN A 48 -16.299 -0.218 0.344 1.00 0.00 C ATOM 706 O ASN A 48 -16.967 -1.149 0.794 1.00 0.00 O ATOM 707 CB ASN A 48 -17.058 1.535 1.959 1.00 0.00 C ATOM 708 CG ASN A 48 -16.667 2.205 3.266 1.00 0.00 C ATOM 709 OD1 ASN A 48 -15.429 2.680 3.359 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -17.466 2.277 4.197 1.00 0.00 N flip ATOM 0 H ASN A 48 -15.755 2.622 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.171 0.538 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.542 2.265 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.790 0.753 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.408 1.902 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.187 2.712 5.076 1.00 0.00 H new ATOM 717 N ASN A 49 -15.906 -0.154 -0.916 1.00 0.00 N ATOM 718 CA ASN A 49 -16.124 -1.256 -1.840 1.00 0.00 C ATOM 719 C ASN A 49 -14.870 -1.506 -2.693 1.00 0.00 C ATOM 720 O ASN A 49 -14.914 -1.424 -3.921 1.00 0.00 O ATOM 721 CB ASN A 49 -17.301 -0.934 -2.743 1.00 0.00 C ATOM 722 CG ASN A 49 -17.832 -2.145 -3.497 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.734 -2.837 -3.023 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.280 -2.409 -4.669 1.00 0.00 N ATOM 0 H ASN A 49 -15.433 0.652 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.337 -2.157 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.105 -0.508 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.001 -0.171 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.599 -3.210 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.535 -1.812 -5.028 1.00 0.00 H new ATOM 731 N PRO A 50 -13.713 -1.741 -2.057 1.00 0.00 N ATOM 732 CA PRO A 50 -12.503 -2.119 -2.766 1.00 0.00 C ATOM 733 C PRO A 50 -12.650 -3.444 -3.488 1.00 0.00 C ATOM 734 O PRO A 50 -13.138 -4.431 -2.938 1.00 0.00 O ATOM 735 CB PRO A 50 -11.435 -2.230 -1.689 1.00 0.00 C ATOM 736 CG PRO A 50 -12.159 -2.250 -0.405 1.00 0.00 C ATOM 737 CD PRO A 50 -13.474 -1.580 -0.632 1.00 0.00 C ATOM 0 HA PRO A 50 -12.260 -1.386 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.843 -3.136 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.744 -1.388 -1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.303 -3.274 -0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.590 -1.731 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.264 -2.042 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.439 -0.528 -0.350 1.00 0.00 H new ATOM 745 N THR A 51 -12.222 -3.441 -4.721 1.00 0.00 N ATOM 746 CA THR A 51 -12.294 -4.606 -5.567 1.00 0.00 C ATOM 747 C THR A 51 -10.898 -4.979 -6.029 1.00 0.00 C ATOM 748 O THR A 51 -10.023 -4.114 -6.139 1.00 0.00 O ATOM 749 CB THR A 51 -13.196 -4.358 -6.791 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.372 -5.572 -7.531 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.606 -3.287 -7.702 1.00 0.00 C ATOM 0 H THR A 51 -11.810 -2.625 -5.173 1.00 0.00 H new ATOM 0 HA THR A 51 -12.728 -5.422 -4.989 1.00 0.00 H new ATOM 0 HB THR A 51 -14.163 -4.010 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.948 -5.402 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.264 -3.134 -8.557 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.506 -2.353 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.625 -3.608 -8.052 1.00 0.00 H new ATOM 759 N CYS A 52 -10.674 -6.251 -6.290 1.00 0.00 N ATOM 760 CA CYS A 52 -9.400 -6.659 -6.827 1.00 0.00 C ATOM 761 C CYS A 52 -9.479 -6.475 -8.328 1.00 0.00 C ATOM 762 O CYS A 52 -10.379 -7.016 -8.971 1.00 0.00 O ATOM 763 CB CYS A 52 -9.140 -8.125 -6.487 1.00 0.00 C ATOM 764 SG CYS A 52 -7.394 -8.613 -6.567 1.00 0.00 S ATOM 0 H CYS A 52 -11.346 -7.004 -6.141 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.586 -6.069 -6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.515 -8.325 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.712 -8.751 -7.172 1.00 0.00 H new ATOM 769 N ASP A 53 -8.491 -5.774 -8.872 1.00 0.00 N ATOM 770 CA ASP A 53 -8.556 -5.225 -10.231 1.00 0.00 C ATOM 771 C ASP A 53 -7.707 -3.973 -10.297 1.00 0.00 C ATOM 772 O ASP A 53 -6.739 -3.900 -11.043 1.00 0.00 O ATOM 773 CB ASP A 53 -9.985 -4.816 -10.617 1.00 0.00 C ATOM 774 CG ASP A 53 -10.080 -4.254 -12.024 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.739 -4.971 -12.987 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.501 -3.089 -12.172 1.00 0.00 O ATOM 0 H ASP A 53 -7.618 -5.567 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.205 -6.000 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.641 -5.683 -10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.348 -4.071 -9.909 1.00 0.00 H new ATOM 781 N ILE A 54 -8.083 -3.006 -9.456 1.00 0.00 N ATOM 782 CA ILE A 54 -7.523 -1.661 -9.490 1.00 0.00 C ATOM 783 C ILE A 54 -6.013 -1.680 -9.405 1.00 0.00 C ATOM 784 O ILE A 54 -5.311 -1.590 -10.409 1.00 0.00 O ATOM 785 CB ILE A 54 -8.104 -0.820 -8.333 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.630 -0.739 -8.469 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.471 0.569 -8.284 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.320 -0.113 -7.276 1.00 0.00 C ATOM 0 H ILE A 54 -8.788 -3.139 -8.731 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.797 -1.211 -10.444 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.865 -1.309 -7.389 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.875 -0.163 -9.361 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.025 -1.744 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.901 1.136 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.395 0.474 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.664 1.090 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.396 -0.092 -7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.107 -0.700 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.955 0.904 -7.137 1.00 0.00 H new ATOM 800 N ASN A 55 -5.527 -1.779 -8.201 1.00 0.00 N ATOM 801 CA ASN A 55 -4.137 -2.015 -7.972 1.00 0.00 C ATOM 802 C ASN A 55 -4.042 -3.303 -7.209 1.00 0.00 C ATOM 803 O ASN A 55 -3.478 -3.361 -6.128 1.00 0.00 O ATOM 804 CB ASN A 55 -3.508 -0.870 -7.197 1.00 0.00 C ATOM 805 CG ASN A 55 -1.999 -0.990 -7.148 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.377 -1.508 -8.074 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.395 -0.511 -6.084 1.00 0.00 N ATOM 0 H ASN A 55 -6.087 -1.698 -7.352 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.593 -2.081 -8.914 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.783 0.078 -7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.905 -0.856 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.379 -0.562 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.942 -0.088 -5.334 1.00 0.00 H new ATOM 814 N ASN A 56 -4.702 -4.319 -7.754 1.00 0.00 N ATOM 815 CA ASN A 56 -4.775 -5.631 -7.103 1.00 0.00 C ATOM 816 C ASN A 56 -5.576 -5.473 -5.820 1.00 0.00 C ATOM 817 O ASN A 56 -5.338 -6.156 -4.843 1.00 0.00 O ATOM 818 CB ASN A 56 -3.380 -6.191 -6.745 1.00 0.00 C ATOM 819 CG ASN A 56 -2.293 -5.784 -7.699 1.00 0.00 C ATOM 820 OD1 ASN A 56 -1.188 -5.355 -7.129 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -2.454 -5.819 -8.917 1.00 0.00 N flip ATOM 0 H ASN A 56 -5.196 -4.264 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.243 -6.330 -7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.113 -5.857 -5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.434 -7.279 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.333 -6.162 -9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.709 -5.505 -9.539 1.00 0.00 H new ATOM 828 N GLY A 57 -6.492 -4.514 -5.820 1.00 0.00 N ATOM 829 CA GLY A 57 -7.284 -4.239 -4.638 1.00 0.00 C ATOM 830 C GLY A 57 -6.707 -3.102 -3.823 1.00 0.00 C ATOM 831 O GLY A 57 -7.355 -2.583 -2.917 1.00 0.00 O ATOM 0 H GLY A 57 -6.701 -3.919 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.304 -3.992 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.339 -5.136 -4.021 1.00 0.00 H new ATOM 835 N GLY A 58 -5.490 -2.703 -4.167 1.00 0.00 N ATOM 836 CA GLY A 58 -4.796 -1.683 -3.413 1.00 0.00 C ATOM 837 C GLY A 58 -3.443 -2.186 -2.937 1.00 0.00 C ATOM 838 O GLY A 58 -2.764 -1.545 -2.141 1.00 0.00 O ATOM 0 H GLY A 58 -4.969 -3.073 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.661 -0.796 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.400 -1.385 -2.556 1.00 0.00 H new ATOM 842 N CYS A 59 -3.049 -3.311 -3.499 1.00 0.00 N ATOM 843 CA CYS A 59 -1.858 -4.048 -3.121 1.00 0.00 C ATOM 844 C CYS A 59 -0.776 -3.853 -4.156 1.00 0.00 C ATOM 845 O CYS A 59 -0.929 -3.116 -5.124 1.00 0.00 O ATOM 846 CB CYS A 59 -2.157 -5.546 -3.068 1.00 0.00 C ATOM 847 SG CYS A 59 -3.780 -5.990 -2.371 1.00 0.00 S ATOM 0 H CYS A 59 -3.567 -3.753 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.537 -3.681 -2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.091 -5.949 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.381 -6.034 -2.479 1.00 0.00 H new ATOM 852 N ASP A 60 0.315 -4.529 -3.936 1.00 0.00 N ATOM 853 CA ASP A 60 1.388 -4.574 -4.889 1.00 0.00 C ATOM 854 C ASP A 60 1.245 -5.883 -5.623 1.00 0.00 C ATOM 855 O ASP A 60 0.712 -6.830 -5.079 1.00 0.00 O ATOM 856 CB ASP A 60 2.703 -4.550 -4.132 1.00 0.00 C ATOM 857 CG ASP A 60 3.892 -4.263 -5.021 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.038 -3.105 -5.467 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.677 -5.194 -5.283 1.00 0.00 O ATOM 0 H ASP A 60 0.487 -5.067 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 60 1.363 -3.733 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.651 -3.794 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.849 -5.511 -3.638 1.00 0.00 H new ATOM 864 N PRO A 61 1.597 -5.917 -6.911 1.00 0.00 N ATOM 865 CA PRO A 61 1.436 -7.116 -7.731 1.00 0.00 C ATOM 866 C PRO A 61 2.159 -8.324 -7.146 1.00 0.00 C ATOM 867 O PRO A 61 1.902 -9.465 -7.526 1.00 0.00 O ATOM 868 CB PRO A 61 2.057 -6.728 -9.070 1.00 0.00 C ATOM 869 CG PRO A 61 2.067 -5.244 -9.098 1.00 0.00 C ATOM 870 CD PRO A 61 2.126 -4.782 -7.675 1.00 0.00 C ATOM 0 HA PRO A 61 0.390 -7.414 -7.802 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.067 -7.127 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.478 -7.131 -9.901 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.925 -4.874 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.174 -4.861 -9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.146 -4.540 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.527 -3.884 -7.522 1.00 0.00 H new ATOM 878 N THR A 62 3.076 -8.052 -6.230 1.00 0.00 N ATOM 879 CA THR A 62 3.793 -9.090 -5.517 1.00 0.00 C ATOM 880 C THR A 62 3.029 -9.471 -4.257 1.00 0.00 C ATOM 881 O THR A 62 3.263 -10.515 -3.650 1.00 0.00 O ATOM 882 CB THR A 62 5.208 -8.601 -5.165 1.00 0.00 C ATOM 883 OG1 THR A 62 5.138 -7.562 -4.177 1.00 0.00 O ATOM 884 CG2 THR A 62 5.884 -8.059 -6.412 1.00 0.00 C ATOM 0 H THR A 62 3.342 -7.104 -5.962 1.00 0.00 H new ATOM 0 HA THR A 62 3.879 -9.972 -6.152 1.00 0.00 H new ATOM 0 HB THR A 62 5.783 -9.438 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.667 -6.788 -4.549 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.887 -7.713 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.949 -8.847 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.302 -7.227 -6.809 1.00 0.00 H new ATOM 892 N ALA A 63 2.107 -8.603 -3.878 1.00 0.00 N ATOM 893 CA ALA A 63 1.181 -8.877 -2.801 1.00 0.00 C ATOM 894 C ALA A 63 -0.042 -9.604 -3.352 1.00 0.00 C ATOM 895 O ALA A 63 -0.846 -9.017 -4.080 1.00 0.00 O ATOM 896 CB ALA A 63 0.766 -7.577 -2.115 1.00 0.00 C ATOM 0 H ALA A 63 1.982 -7.688 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 63 1.669 -9.512 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.069 -7.799 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.648 -7.083 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.284 -6.921 -2.840 1.00 0.00 H new ATOM 902 N SER A 64 -0.154 -10.885 -3.031 1.00 0.00 N ATOM 903 CA SER A 64 -1.293 -11.692 -3.435 1.00 0.00 C ATOM 904 C SER A 64 -2.572 -11.033 -2.965 1.00 0.00 C ATOM 905 O SER A 64 -2.753 -10.811 -1.769 1.00 0.00 O ATOM 906 CB SER A 64 -1.192 -13.103 -2.846 1.00 0.00 C ATOM 907 OG SER A 64 -2.266 -13.928 -3.275 1.00 0.00 O ATOM 0 H SER A 64 0.542 -11.392 -2.484 1.00 0.00 H new ATOM 0 HA SER A 64 -1.298 -11.770 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.245 -13.554 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.190 -13.044 -1.758 1.00 0.00 H new ATOM 0 HG SER A 64 -3.076 -13.699 -2.773 1.00 0.00 H new ATOM 913 N CYS A 65 -3.430 -10.698 -3.905 1.00 0.00 N ATOM 914 CA CYS A 65 -4.682 -10.053 -3.583 1.00 0.00 C ATOM 915 C CYS A 65 -5.789 -11.058 -3.391 1.00 0.00 C ATOM 916 O CYS A 65 -5.989 -11.972 -4.199 1.00 0.00 O ATOM 917 CB CYS A 65 -5.084 -9.070 -4.667 1.00 0.00 C ATOM 918 SG CYS A 65 -6.843 -8.604 -4.618 1.00 0.00 S ATOM 0 H CYS A 65 -3.281 -10.863 -4.901 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.529 -9.515 -2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.476 -8.170 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.860 -9.505 -5.641 1.00 0.00 H new ATOM 923 N GLN A 66 -6.504 -10.859 -2.314 1.00 0.00 N ATOM 924 CA GLN A 66 -7.682 -11.634 -1.996 1.00 0.00 C ATOM 925 C GLN A 66 -8.826 -10.664 -1.761 1.00 0.00 C ATOM 926 O GLN A 66 -8.686 -9.733 -0.968 1.00 0.00 O ATOM 927 CB GLN A 66 -7.459 -12.461 -0.732 1.00 0.00 C ATOM 928 CG GLN A 66 -5.995 -12.708 -0.430 1.00 0.00 C ATOM 929 CD GLN A 66 -5.422 -13.927 -1.127 1.00 0.00 C ATOM 930 OE1 GLN A 66 -4.884 -13.836 -2.228 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.525 -15.075 -0.482 1.00 0.00 N ATOM 0 H GLN A 66 -6.283 -10.144 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.905 -12.316 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.916 -11.949 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.968 -13.419 -0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.420 -11.830 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.871 -12.825 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.979 -15.108 0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.150 -15.928 -0.897 1.00 0.00 H new ATOM 940 N ASN A 67 -9.939 -10.845 -2.446 1.00 0.00 N ATOM 941 CA ASN A 67 -11.075 -9.968 -2.218 1.00 0.00 C ATOM 942 C ASN A 67 -11.999 -10.552 -1.178 1.00 0.00 C ATOM 943 O ASN A 67 -12.307 -11.745 -1.186 1.00 0.00 O ATOM 944 CB ASN A 67 -11.840 -9.632 -3.500 1.00 0.00 C ATOM 945 CG ASN A 67 -12.037 -10.813 -4.434 1.00 0.00 C ATOM 946 OD1 ASN A 67 -12.115 -11.964 -4.009 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.142 -10.529 -5.721 1.00 0.00 N ATOM 0 H ASN A 67 -10.082 -11.571 -3.148 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.671 -9.027 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.816 -9.228 -3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.305 -8.846 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.293 -11.277 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.072 -9.562 -6.037 1.00 0.00 H new ATOM 954 N ALA A 68 -12.422 -9.694 -0.282 1.00 0.00 N ATOM 955 CA ALA A 68 -13.203 -10.092 0.870 1.00 0.00 C ATOM 956 C ALA A 68 -14.045 -8.925 1.350 1.00 0.00 C ATOM 957 O ALA A 68 -13.841 -7.786 0.928 1.00 0.00 O ATOM 958 CB ALA A 68 -12.277 -10.562 1.980 1.00 0.00 C ATOM 0 H ALA A 68 -12.234 -8.693 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.865 -10.912 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.869 -10.861 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.691 -11.412 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.606 -9.751 2.262 1.00 0.00 H new ATOM 964 N GLU A 69 -14.992 -9.208 2.219 1.00 0.00 N ATOM 965 CA GLU A 69 -15.793 -8.164 2.814 1.00 0.00 C ATOM 966 C GLU A 69 -15.599 -8.152 4.324 1.00 0.00 C ATOM 967 O GLU A 69 -15.733 -9.175 5.000 1.00 0.00 O ATOM 968 CB GLU A 69 -17.261 -8.321 2.442 1.00 0.00 C ATOM 969 CG GLU A 69 -17.860 -9.579 2.989 1.00 0.00 C ATOM 970 CD GLU A 69 -19.359 -9.657 2.802 1.00 0.00 C ATOM 971 OE1 GLU A 69 -20.074 -8.786 3.339 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.828 -10.601 2.131 1.00 0.00 O ATOM 0 H GLU A 69 -15.225 -10.152 2.528 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.462 -7.203 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.821 -7.464 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.360 -8.318 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.395 -10.436 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.629 -9.651 4.052 1.00 0.00 H new ATOM 979 N SER A 70 -15.237 -6.994 4.832 1.00 0.00 N ATOM 980 CA SER A 70 -15.004 -6.801 6.248 1.00 0.00 C ATOM 981 C SER A 70 -15.564 -5.454 6.652 1.00 0.00 C ATOM 982 O SER A 70 -15.760 -4.583 5.801 1.00 0.00 O ATOM 983 CB SER A 70 -13.499 -6.866 6.547 1.00 0.00 C ATOM 984 OG SER A 70 -13.240 -6.756 7.937 1.00 0.00 O ATOM 0 H SER A 70 -15.095 -6.154 4.271 1.00 0.00 H new ATOM 0 HA SER A 70 -15.499 -7.588 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.093 -7.806 6.173 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.986 -6.064 6.016 1.00 0.00 H new ATOM 0 HG SER A 70 -12.348 -7.112 8.133 1.00 0.00 H new ATOM 990 N THR A 71 -15.824 -5.279 7.936 1.00 0.00 N ATOM 991 CA THR A 71 -16.277 -3.999 8.450 1.00 0.00 C ATOM 992 C THR A 71 -15.182 -2.953 8.230 1.00 0.00 C ATOM 993 O THR A 71 -15.446 -1.753 8.173 1.00 0.00 O ATOM 994 CB THR A 71 -16.641 -4.099 9.947 1.00 0.00 C ATOM 995 OG1 THR A 71 -17.172 -2.855 10.423 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.428 -4.497 10.772 1.00 0.00 C ATOM 0 H THR A 71 -15.729 -6.009 8.642 1.00 0.00 H new ATOM 0 HA THR A 71 -17.177 -3.700 7.913 1.00 0.00 H new ATOM 0 HB THR A 71 -17.404 -4.870 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.398 -2.938 11.373 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.708 -4.561 11.823 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.061 -5.466 10.435 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.644 -3.749 10.650 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.956 -3.446 8.094 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.815 -2.623 7.744 1.00 0.00 C ATOM 1006 C GLU A 72 -12.584 -2.661 6.244 1.00 0.00 C ATOM 1007 O GLU A 72 -12.543 -3.732 5.643 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.568 -3.138 8.441 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.530 -2.884 9.929 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.246 -1.433 10.249 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -12.185 -0.614 10.197 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.076 -1.100 10.528 1.00 0.00 O ATOM 0 H GLU A 72 -13.730 -4.432 8.225 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.020 -1.600 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.487 -4.211 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.694 -2.674 7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.484 -3.173 10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.765 -3.512 10.385 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.430 -1.491 5.649 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.085 -1.375 4.234 1.00 0.00 C ATOM 1021 C ASN A 73 -10.703 -1.945 3.967 1.00 0.00 C ATOM 1022 O ASN A 73 -10.478 -2.589 2.946 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.139 0.087 3.774 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.731 1.065 4.859 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.885 0.771 5.703 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.350 2.231 4.855 1.00 0.00 N ATOM 0 H ASN A 73 -12.539 -0.596 6.126 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.819 -1.948 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.484 0.215 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.151 0.321 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.133 2.926 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.046 2.437 4.138 1.00 0.00 H new ATOM 1033 N SER A 74 -9.787 -1.721 4.896 1.00 0.00 N ATOM 1034 CA SER A 74 -8.431 -2.218 4.751 1.00 0.00 C ATOM 1035 C SER A 74 -8.390 -3.732 4.949 1.00 0.00 C ATOM 1036 O SER A 74 -7.450 -4.402 4.529 1.00 0.00 O ATOM 1037 CB SER A 74 -7.494 -1.508 5.743 1.00 0.00 C ATOM 1038 OG SER A 74 -6.155 -1.959 5.614 1.00 0.00 O ATOM 0 H SER A 74 -9.959 -1.200 5.756 1.00 0.00 H new ATOM 0 HA SER A 74 -8.086 -2.002 3.740 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.533 -0.432 5.574 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.841 -1.684 6.761 1.00 0.00 H new ATOM 0 HG SER A 74 -5.556 -1.187 5.538 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.431 -4.270 5.567 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.512 -5.700 5.817 1.00 0.00 C ATOM 1046 C LYS A 75 -10.355 -6.388 4.754 1.00 0.00 C ATOM 1047 O LYS A 75 -10.587 -7.597 4.819 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.097 -5.952 7.202 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.264 -5.357 8.314 1.00 0.00 C ATOM 1050 CD LYS A 75 -8.008 -6.169 8.533 1.00 0.00 C ATOM 1051 CE LYS A 75 -8.348 -7.541 9.076 1.00 0.00 C ATOM 1052 NZ LYS A 75 -7.152 -8.419 9.172 1.00 0.00 N ATOM 0 H LYS A 75 -10.232 -3.736 5.905 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.506 -6.117 5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.103 -5.535 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.190 -7.026 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.000 -4.329 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.847 -5.324 9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.464 -6.268 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.349 -5.649 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.801 -7.438 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.091 -8.011 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.432 -9.347 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.734 -8.540 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.453 -7.985 9.807 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.817 -5.614 3.779 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.570 -6.172 2.669 1.00 0.00 C ATOM 1068 C LYS A 76 -10.618 -6.779 1.660 1.00 0.00 C ATOM 1069 O LYS A 76 -10.828 -7.881 1.167 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.403 -5.118 1.972 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.436 -4.457 2.858 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.284 -3.504 2.039 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.982 -2.444 2.876 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.066 -3.000 3.723 1.00 0.00 N ATOM 0 H LYS A 76 -10.683 -4.604 3.737 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.237 -6.932 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.739 -4.351 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.909 -5.575 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.069 -5.214 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.943 -3.916 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.653 -3.014 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.033 -4.075 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.248 -1.949 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.397 -1.682 2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.605 -2.221 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.702 -3.579 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.653 -3.590 4.473 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.576 -6.036 1.345 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.578 -6.505 0.411 1.00 0.00 C ATOM 1090 C ILE A 77 -7.390 -7.051 1.165 1.00 0.00 C ATOM 1091 O ILE A 77 -6.724 -6.340 1.916 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.114 -5.392 -0.547 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.298 -4.856 -1.348 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -7.025 -5.894 -1.485 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.996 -5.915 -2.174 1.00 0.00 C ATOM 0 H ILE A 77 -9.400 -5.105 1.723 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.034 -7.291 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.697 -4.582 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.018 -4.408 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.950 -4.062 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.717 -5.087 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.168 -6.230 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.409 -6.725 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.827 -5.464 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.290 -6.346 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.374 -6.698 -1.517 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.149 -8.322 0.973 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.062 -8.990 1.647 1.00 0.00 C ATOM 1109 C ILE A 78 -4.825 -8.983 0.762 1.00 0.00 C ATOM 1110 O ILE A 78 -4.753 -9.703 -0.232 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.412 -10.445 2.025 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.659 -10.514 2.914 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.236 -11.103 2.722 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.958 -10.302 2.164 1.00 0.00 C ATOM 0 H ILE A 78 -7.694 -8.920 0.352 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.870 -8.444 2.571 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.631 -10.984 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.689 -11.486 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.576 -9.762 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.496 -12.129 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.373 -11.106 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.993 -10.548 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.794 -10.365 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.950 -9.319 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.065 -11.070 1.398 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.876 -8.139 1.109 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.631 -8.045 0.367 1.00 0.00 C ATOM 1128 C CYS A 79 -1.527 -8.807 1.097 1.00 0.00 C ATOM 1129 O CYS A 79 -1.146 -8.457 2.216 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.255 -6.578 0.192 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.634 -5.552 -0.399 1.00 0.00 S ATOM 0 H CYS A 79 -3.942 -7.504 1.904 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.758 -8.494 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.900 -6.184 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.427 -6.503 -0.513 1.00 0.00 H new ATOM 1136 N THR A 80 -1.040 -9.860 0.463 1.00 0.00 N ATOM 1137 CA THR A 80 -0.023 -10.721 1.047 1.00 0.00 C ATOM 1138 C THR A 80 1.237 -10.741 0.186 1.00 0.00 C ATOM 1139 O THR A 80 1.223 -11.270 -0.919 1.00 0.00 O ATOM 1140 CB THR A 80 -0.565 -12.157 1.192 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.656 -12.169 2.120 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.522 -13.120 1.646 1.00 0.00 C ATOM 0 H THR A 80 -1.338 -10.143 -0.471 1.00 0.00 H new ATOM 0 HA THR A 80 0.231 -10.323 2.030 1.00 0.00 H new ATOM 0 HB THR A 80 -0.914 -12.490 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.000 -13.082 2.209 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.105 -14.123 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.329 -13.129 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.912 -12.799 2.612 1.00 0.00 H new ATOM 1150 N CYS A 81 2.332 -10.211 0.703 1.00 0.00 N ATOM 1151 CA CYS A 81 3.556 -10.136 -0.078 1.00 0.00 C ATOM 1152 C CYS A 81 4.261 -11.493 -0.050 1.00 0.00 C ATOM 1153 O CYS A 81 4.141 -12.248 0.917 1.00 0.00 O ATOM 1154 CB CYS A 81 4.470 -9.027 0.463 1.00 0.00 C ATOM 1155 SG CYS A 81 3.626 -7.442 0.800 1.00 0.00 S ATOM 0 H CYS A 81 2.400 -9.831 1.647 1.00 0.00 H new ATOM 0 HA CYS A 81 3.312 -9.889 -1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.938 -9.377 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.271 -8.852 -0.255 1.00 0.00 H new ATOM 1160 N LYS A 82 4.974 -11.799 -1.127 1.00 0.00 N ATOM 1161 CA LYS A 82 5.486 -13.141 -1.371 1.00 0.00 C ATOM 1162 C LYS A 82 6.769 -13.464 -0.609 1.00 0.00 C ATOM 1163 O LYS A 82 7.271 -12.668 0.178 1.00 0.00 O ATOM 1164 CB LYS A 82 5.737 -13.352 -2.862 1.00 0.00 C ATOM 1165 CG LYS A 82 4.497 -13.235 -3.708 1.00 0.00 C ATOM 1166 CD LYS A 82 3.367 -14.074 -3.160 1.00 0.00 C ATOM 1167 CE LYS A 82 2.133 -13.920 -4.013 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.219 -14.725 -5.261 1.00 0.00 N ATOM 0 H LYS A 82 5.213 -11.125 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 82 4.713 -13.817 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.470 -12.622 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.176 -14.338 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.186 -12.191 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.721 -13.548 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.666 -15.122 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.148 -13.774 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.256 -14.227 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.996 -12.869 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.352 -14.592 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.041 -14.415 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.324 -15.731 -5.019 1.00 0.00 H new ATOM 1182 N GLU A 83 7.282 -14.657 -0.883 1.00 0.00 N ATOM 1183 CA GLU A 83 8.501 -15.182 -0.277 1.00 0.00 C ATOM 1184 C GLU A 83 9.686 -14.194 -0.313 1.00 0.00 C ATOM 1185 O GLU A 83 10.284 -13.928 0.730 1.00 0.00 O ATOM 1186 CB GLU A 83 8.860 -16.479 -0.996 1.00 0.00 C ATOM 1187 CG GLU A 83 7.684 -17.432 -1.078 1.00 0.00 C ATOM 1188 CD GLU A 83 7.811 -18.428 -2.207 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.477 -19.465 -2.025 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.220 -18.185 -3.283 1.00 0.00 O ATOM 0 H GLU A 83 6.853 -15.301 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 83 8.306 -15.356 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.211 -16.250 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.684 -16.966 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.593 -17.970 -0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.766 -16.858 -1.208 1.00 0.00 H new ATOM 1197 N PRO A 84 10.041 -13.604 -1.486 1.00 0.00 N ATOM 1198 CA PRO A 84 11.221 -12.737 -1.587 1.00 0.00 C ATOM 1199 C PRO A 84 10.956 -11.357 -1.007 1.00 0.00 C ATOM 1200 O PRO A 84 11.813 -10.470 -1.029 1.00 0.00 O ATOM 1201 CB PRO A 84 11.461 -12.634 -3.088 1.00 0.00 C ATOM 1202 CG PRO A 84 10.114 -12.796 -3.700 1.00 0.00 C ATOM 1203 CD PRO A 84 9.322 -13.686 -2.775 1.00 0.00 C ATOM 0 HA PRO A 84 12.071 -13.135 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.903 -11.674 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.148 -13.407 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.625 -11.829 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.191 -13.240 -4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.292 -13.343 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.284 -14.711 -3.145 1.00 0.00 H new ATOM 1211 N THR A 85 9.752 -11.192 -0.498 1.00 0.00 N ATOM 1212 CA THR A 85 9.318 -9.946 0.078 1.00 0.00 C ATOM 1213 C THR A 85 8.905 -10.186 1.535 1.00 0.00 C ATOM 1214 O THR A 85 7.726 -10.243 1.868 1.00 0.00 O ATOM 1215 CB THR A 85 8.148 -9.357 -0.755 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.949 -10.077 -0.520 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.444 -9.447 -2.240 1.00 0.00 C ATOM 0 H THR A 85 9.046 -11.927 -0.475 1.00 0.00 H new ATOM 0 HA THR A 85 10.132 -9.221 0.063 1.00 0.00 H new ATOM 0 HB THR A 85 8.034 -8.316 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.792 -10.145 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.610 -9.028 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.351 -8.887 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.583 -10.491 -2.521 1.00 0.00 H new ATOM 1225 N PRO A 86 9.895 -10.340 2.431 1.00 0.00 N ATOM 1226 CA PRO A 86 9.656 -10.702 3.835 1.00 0.00 C ATOM 1227 C PRO A 86 8.906 -9.613 4.588 1.00 0.00 C ATOM 1228 O PRO A 86 8.450 -9.805 5.712 1.00 0.00 O ATOM 1229 CB PRO A 86 11.071 -10.852 4.411 1.00 0.00 C ATOM 1230 CG PRO A 86 11.962 -10.993 3.233 1.00 0.00 C ATOM 1231 CD PRO A 86 11.327 -10.178 2.157 1.00 0.00 C ATOM 0 HA PRO A 86 9.042 -11.599 3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.346 -9.984 5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.140 -11.723 5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.967 -10.635 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.054 -12.037 2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.633 -9.133 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.593 -10.541 1.164 1.00 0.00 H new ATOM 1239 N ASN A 87 8.781 -8.471 3.945 1.00 0.00 N ATOM 1240 CA ASN A 87 8.199 -7.301 4.550 1.00 0.00 C ATOM 1241 C ASN A 87 7.214 -6.678 3.584 1.00 0.00 C ATOM 1242 O ASN A 87 7.004 -7.196 2.487 1.00 0.00 O ATOM 1243 CB ASN A 87 9.297 -6.301 4.876 1.00 0.00 C ATOM 1244 CG ASN A 87 10.446 -6.911 5.651 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.491 -7.273 4.924 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.405 -7.027 6.873 1.00 0.00 N flip ATOM 0 H ASN A 87 9.084 -8.332 2.981 1.00 0.00 H new ATOM 0 HA ASN A 87 7.682 -7.580 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.678 -5.874 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.872 -5.480 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.574 -6.732 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.202 -7.418 7.375 1.00 0.00 H new ATOM 1253 N ALA A 88 6.640 -5.560 3.971 1.00 0.00 N ATOM 1254 CA ALA A 88 5.719 -4.854 3.104 1.00 0.00 C ATOM 1255 C ALA A 88 5.890 -3.354 3.247 1.00 0.00 C ATOM 1256 O ALA A 88 6.232 -2.860 4.322 1.00 0.00 O ATOM 1257 CB ALA A 88 4.286 -5.257 3.421 1.00 0.00 C ATOM 0 H ALA A 88 6.793 -5.120 4.878 1.00 0.00 H new ATOM 0 HA ALA A 88 5.940 -5.125 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.603 -4.720 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.168 -6.330 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.060 -5.010 4.458 1.00 0.00 H new ATOM 1263 N TYR A 89 5.686 -2.637 2.157 1.00 0.00 N ATOM 1264 CA TYR A 89 5.621 -1.191 2.208 1.00 0.00 C ATOM 1265 C TYR A 89 4.252 -0.841 2.793 1.00 0.00 C ATOM 1266 O TYR A 89 3.226 -0.954 2.115 1.00 0.00 O ATOM 1267 CB TYR A 89 5.789 -0.561 0.806 1.00 0.00 C ATOM 1268 CG TYR A 89 6.955 -1.062 -0.032 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.050 -1.721 0.509 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.950 -0.829 -1.397 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.098 -2.122 -0.298 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.980 -1.232 -2.205 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.052 -1.872 -1.659 1.00 0.00 C ATOM 1274 OH TYR A 89 10.093 -2.240 -2.475 1.00 0.00 O ATOM 0 H TYR A 89 5.563 -3.034 1.226 1.00 0.00 H new ATOM 0 HA TYR A 89 6.432 -0.795 2.820 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.870 -0.729 0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.896 0.517 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.084 -1.922 1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.109 -0.314 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.950 -2.629 0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.943 -1.044 -3.268 1.00 0.00 H new ATOM 0 HH TYR A 89 9.889 -1.987 -3.400 1.00 0.00 H new ATOM 1284 N TYR A 90 4.248 -0.462 4.064 1.00 0.00 N ATOM 1285 CA TYR A 90 3.023 -0.249 4.833 1.00 0.00 C ATOM 1286 C TYR A 90 2.264 -1.557 5.053 1.00 0.00 C ATOM 1287 O TYR A 90 2.817 -2.520 5.578 1.00 0.00 O ATOM 1288 CB TYR A 90 2.113 0.822 4.210 1.00 0.00 C ATOM 1289 CG TYR A 90 1.703 1.859 5.230 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.927 1.511 6.328 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.131 3.170 5.124 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.581 2.445 7.283 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.800 4.109 6.077 1.00 0.00 C ATOM 1294 CZ TYR A 90 1.023 3.743 7.156 1.00 0.00 C ATOM 1295 OH TYR A 90 0.699 4.675 8.116 1.00 0.00 O ATOM 0 H TYR A 90 5.101 -0.292 4.597 1.00 0.00 H new ATOM 0 HA TYR A 90 3.333 0.128 5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.633 1.308 3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.224 0.349 3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.588 0.491 6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.736 3.463 4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.033 2.160 8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.148 5.127 5.979 1.00 0.00 H new ATOM 0 HH TYR A 90 1.090 5.541 7.876 1.00 0.00 H new ATOM 1305 N GLU A 91 1.002 -1.601 4.648 1.00 0.00 N ATOM 1306 CA GLU A 91 0.135 -2.735 4.976 1.00 0.00 C ATOM 1307 C GLU A 91 0.236 -3.858 3.941 1.00 0.00 C ATOM 1308 O GLU A 91 -0.406 -4.899 4.081 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.321 -2.274 5.076 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.495 -0.883 5.657 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.899 -0.642 6.171 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.763 -0.209 5.381 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -3.139 -0.878 7.374 1.00 0.00 O ATOM 0 H GLU A 91 0.553 -0.871 4.095 1.00 0.00 H new ATOM 0 HA GLU A 91 0.472 -3.128 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.767 -2.299 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.874 -2.984 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.784 -0.741 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.258 -0.142 4.894 1.00 0.00 H new ATOM 1320 N GLY A 92 1.050 -3.656 2.918 1.00 0.00 N ATOM 1321 CA GLY A 92 1.067 -4.574 1.794 1.00 0.00 C ATOM 1322 C GLY A 92 0.588 -3.874 0.551 1.00 0.00 C ATOM 1323 O GLY A 92 0.393 -4.488 -0.501 1.00 0.00 O ATOM 0 H GLY A 92 1.700 -2.874 2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.077 -4.955 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.430 -5.433 2.006 1.00 0.00 H new ATOM 1327 N VAL A 93 0.381 -2.570 0.701 1.00 0.00 N ATOM 1328 CA VAL A 93 0.014 -1.698 -0.396 1.00 0.00 C ATOM 1329 C VAL A 93 1.078 -1.765 -1.486 1.00 0.00 C ATOM 1330 O VAL A 93 0.804 -1.577 -2.674 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.132 -0.241 0.115 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.705 0.650 -0.958 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.985 -0.186 1.377 1.00 0.00 C ATOM 0 H VAL A 93 0.465 -2.090 1.597 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.940 -2.025 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 93 0.863 0.127 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.798 1.666 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.044 0.647 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.688 0.281 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.071 0.847 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.978 -0.581 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.517 -0.784 2.159 1.00 0.00 H new ATOM 1343 N PHE A 94 2.301 -2.007 -1.043 1.00 0.00 N ATOM 1344 CA PHE A 94 3.425 -2.250 -1.916 1.00 0.00 C ATOM 1345 C PHE A 94 4.419 -3.164 -1.186 1.00 0.00 C ATOM 1346 O PHE A 94 4.383 -3.239 0.033 1.00 0.00 O ATOM 1347 CB PHE A 94 4.114 -0.943 -2.415 1.00 0.00 C ATOM 1348 CG PHE A 94 3.870 0.393 -1.692 1.00 0.00 C ATOM 1349 CD1 PHE A 94 2.985 0.562 -0.630 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.568 1.512 -2.124 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.806 1.793 -0.029 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.390 2.745 -1.525 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.508 2.884 -0.477 1.00 0.00 C ATOM 0 H PHE A 94 2.538 -2.039 -0.052 1.00 0.00 H new ATOM 0 HA PHE A 94 3.056 -2.738 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.189 -1.122 -2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.823 -0.803 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.426 -0.288 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.264 1.418 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.114 1.897 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.944 3.601 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.369 3.848 -0.009 1.00 0.00 H new ATOM 1363 N CYS A 95 5.262 -3.903 -1.916 1.00 0.00 N ATOM 1364 CA CYS A 95 6.257 -4.785 -1.277 1.00 0.00 C ATOM 1365 C CYS A 95 7.558 -4.818 -2.104 1.00 0.00 C ATOM 1366 O CYS A 95 7.557 -4.455 -3.281 1.00 0.00 O ATOM 1367 CB CYS A 95 5.710 -6.216 -1.111 1.00 0.00 C ATOM 1368 SG CYS A 95 3.898 -6.329 -0.885 1.00 0.00 S ATOM 0 H CYS A 95 5.280 -3.912 -2.936 1.00 0.00 H new ATOM 0 HA CYS A 95 6.470 -4.381 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.989 -6.800 -1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.198 -6.678 -0.253 1.00 0.00 H new ATOM 1373 N SER A 96 8.666 -5.243 -1.476 1.00 0.00 N ATOM 1374 CA SER A 96 9.984 -5.266 -2.136 1.00 0.00 C ATOM 1375 C SER A 96 10.413 -6.688 -2.437 1.00 0.00 C ATOM 1376 O SER A 96 10.562 -7.496 -1.522 1.00 0.00 O ATOM 1377 CB SER A 96 11.049 -4.626 -1.236 1.00 0.00 C ATOM 1378 OG SER A 96 12.309 -4.530 -1.885 1.00 0.00 O ATOM 0 H SER A 96 8.677 -5.576 -0.512 1.00 0.00 H new ATOM 0 HA SER A 96 9.891 -4.704 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.719 -3.631 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.155 -5.215 -0.325 1.00 0.00 H new ATOM 0 HG SER A 96 12.958 -4.116 -1.279 1.00 0.00 H new ATOM 1384 N SER A 97 10.656 -6.979 -3.704 1.00 0.00 N ATOM 1385 CA SER A 97 11.027 -8.321 -4.110 1.00 0.00 C ATOM 1386 C SER A 97 12.497 -8.417 -4.490 1.00 0.00 C ATOM 1387 O SER A 97 12.850 -8.492 -5.667 1.00 0.00 O ATOM 1388 CB SER A 97 10.138 -8.770 -5.256 1.00 0.00 C ATOM 1389 OG SER A 97 9.813 -7.678 -6.105 1.00 0.00 O ATOM 0 H SER A 97 10.603 -6.304 -4.467 1.00 0.00 H new ATOM 0 HA SER A 97 10.880 -8.986 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.644 -9.545 -5.832 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.224 -9.212 -4.860 1.00 0.00 H new ATOM 0 HG SER A 97 9.241 -7.991 -6.837 1.00 0.00 H new ATOM 1395 N SER A 98 13.329 -8.428 -3.463 1.00 0.00 N ATOM 1396 CA SER A 98 14.782 -8.504 -3.608 1.00 0.00 C ATOM 1397 C SER A 98 15.437 -8.302 -2.244 1.00 0.00 C ATOM 1398 O SER A 98 16.027 -7.258 -1.977 1.00 0.00 O ATOM 1399 CB SER A 98 15.289 -7.437 -4.589 1.00 0.00 C ATOM 1400 OG SER A 98 16.585 -7.744 -5.077 1.00 0.00 O ATOM 0 H SER A 98 13.017 -8.384 -2.493 1.00 0.00 H new ATOM 0 HA SER A 98 15.044 -9.486 -4.003 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.596 -7.354 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.308 -6.467 -4.093 1.00 0.00 H new ATOM 0 HG SER A 98 16.874 -7.044 -5.699 1.00 0.00 H new ATOM 1406 N SER A 99 15.319 -9.294 -1.376 1.00 0.00 N ATOM 1407 CA SER A 99 15.808 -9.168 -0.013 1.00 0.00 C ATOM 1408 C SER A 99 16.952 -10.146 0.255 1.00 0.00 C ATOM 1409 O SER A 99 18.123 -9.707 0.260 1.00 0.00 O ATOM 1410 CB SER A 99 14.648 -9.370 0.966 1.00 0.00 C ATOM 1411 OG SER A 99 13.935 -10.562 0.677 1.00 0.00 O ATOM 1412 OXT SER A 99 16.688 -11.349 0.439 1.00 0.00 O ATOM 0 H SER A 99 14.890 -10.194 -1.591 1.00 0.00 H new ATOM 0 HA SER A 99 16.212 -8.166 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.032 -9.411 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.972 -8.517 0.914 1.00 0.00 H new ATOM 0 HG SER A 99 13.278 -10.387 -0.029 1.00 0.00 H new