USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 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 16 TYR OH : rot -163:sc= 0.832 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.552 K(o=-1.6,f=-4.8!) USER MOD Set 1.3: A 65 ASN :FLIP amide:sc= -1.86! C(o=-2.8!,f=-1.6!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.0849 K(o=-0.085,f=-1.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -74:sc= 0.159 USER MOD Single : A 18 GLN :FLIP amide:sc= -5.19! C(o=-6.2!,f=-5.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -10! C(o=-10!,f=-17!) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -2.59 F(o=-5.5!,f=-2.6) USER MOD Single : A 36 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.7) USER MOD Single : A 37 GLN : amide:sc= -1.15 K(o=-1.2,f=-4.9!) USER MOD Single : A 39 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.041) USER MOD Single : A 45 GLN : amide:sc= -2.35! C(o=-2.4!,f=-1.9!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.219 F(o=-1.1,f=-0.22) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00321 F(o=-0.87,f=-0.0032) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.114 F(o=-2.5,f=0.11) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0113 (180deg=-0.135) USER MOD Single : A 74 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.37) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.243 F(o=-0.8,f=-0.24) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 80 THR OG1 : rot -180:sc= 1.25 USER MOD Single : A 82 SER OG : rot -160:sc= -0.862 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 5.570 11.317 6.571 1.00 0.00 N ATOM 23 CA ASN A 2 6.534 10.360 7.189 1.00 0.00 C ATOM 24 C ASN A 2 5.992 8.936 7.060 1.00 0.00 C ATOM 25 O ASN A 2 5.077 8.676 6.303 1.00 0.00 O ATOM 26 CB ASN A 2 6.738 10.700 8.674 1.00 0.00 C ATOM 27 CG ASN A 2 5.585 11.572 9.180 1.00 0.00 C ATOM 28 OD1 ASN A 2 4.568 11.065 9.611 1.00 0.00 O ATOM 29 ND2 ASN A 2 5.703 12.871 9.145 1.00 0.00 N ATOM 0 HA ASN A 2 7.491 10.436 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.794 9.783 9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.685 11.223 8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.942 13.461 9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.557 13.296 8.783 1.00 0.00 H new ATOM 36 N CYS A 3 6.554 8.009 7.785 1.00 0.00 N ATOM 37 CA CYS A 3 6.077 6.601 7.694 1.00 0.00 C ATOM 38 C CYS A 3 5.137 6.286 8.861 1.00 0.00 C ATOM 39 O CYS A 3 4.476 5.270 8.873 1.00 0.00 O ATOM 40 CB CYS A 3 7.280 5.659 7.743 1.00 0.00 C ATOM 41 SG CYS A 3 6.768 4.003 7.230 1.00 0.00 S ATOM 0 H CYS A 3 7.323 8.166 8.437 1.00 0.00 H new ATOM 0 HA CYS A 3 5.537 6.466 6.757 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.070 6.026 7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 3 7.691 5.628 8.752 1.00 0.00 H new ATOM 46 N GLY A 4 5.074 7.141 9.844 1.00 0.00 N ATOM 47 CA GLY A 4 4.177 6.872 11.006 1.00 0.00 C ATOM 48 C GLY A 4 2.727 6.735 10.529 1.00 0.00 C ATOM 49 O GLY A 4 2.098 5.711 10.712 1.00 0.00 O ATOM 0 H GLY A 4 5.602 8.012 9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.489 5.959 11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.255 7.682 11.731 1.00 0.00 H new ATOM 53 N GLN A 5 2.192 7.762 9.930 1.00 0.00 N ATOM 54 CA GLN A 5 0.780 7.698 9.450 1.00 0.00 C ATOM 55 C GLN A 5 0.602 6.510 8.501 1.00 0.00 C ATOM 56 O GLN A 5 -0.218 5.640 8.725 1.00 0.00 O ATOM 57 CB GLN A 5 0.440 8.995 8.711 1.00 0.00 C ATOM 58 CG GLN A 5 -0.986 9.425 9.060 1.00 0.00 C ATOM 59 CD GLN A 5 -1.481 10.441 8.029 1.00 0.00 C ATOM 60 OE1 GLN A 5 -1.122 10.372 6.870 1.00 0.00 O ATOM 61 NE2 GLN A 5 -2.295 11.389 8.404 1.00 0.00 N ATOM 0 H GLN A 5 2.671 8.645 9.751 1.00 0.00 H new ATOM 0 HA GLN A 5 0.115 7.573 10.305 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.145 9.779 8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.533 8.848 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.645 8.557 9.076 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.011 9.862 10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.597 11.447 9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.630 12.072 7.725 1.00 0.00 H new ATOM 70 N VAL A 6 1.358 6.471 7.439 1.00 0.00 N ATOM 71 CA VAL A 6 1.230 5.348 6.467 1.00 0.00 C ATOM 72 C VAL A 6 1.227 4.010 7.210 1.00 0.00 C ATOM 73 O VAL A 6 0.547 3.081 6.829 1.00 0.00 O ATOM 74 CB VAL A 6 2.411 5.383 5.496 1.00 0.00 C ATOM 75 CG1 VAL A 6 2.243 4.283 4.447 1.00 0.00 C ATOM 76 CG2 VAL A 6 2.460 6.744 4.799 1.00 0.00 C ATOM 0 H VAL A 6 2.061 7.171 7.201 1.00 0.00 H new ATOM 0 HA VAL A 6 0.295 5.455 5.918 1.00 0.00 H new ATOM 0 HB VAL A 6 3.337 5.222 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.085 4.308 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.208 3.312 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.316 4.444 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.302 6.768 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.533 6.904 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.580 7.530 5.544 1.00 0.00 H new ATOM 86 N ASP A 7 1.992 3.896 8.257 1.00 0.00 N ATOM 87 CA ASP A 7 2.043 2.611 9.005 1.00 0.00 C ATOM 88 C ASP A 7 0.719 2.368 9.749 1.00 0.00 C ATOM 89 O ASP A 7 0.176 1.286 9.711 1.00 0.00 O ATOM 90 CB ASP A 7 3.237 2.657 9.986 1.00 0.00 C ATOM 91 CG ASP A 7 2.778 2.514 11.445 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.208 1.485 11.768 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.006 3.437 12.211 1.00 0.00 O ATOM 0 H ASP A 7 2.585 4.638 8.628 1.00 0.00 H new ATOM 0 HA ASP A 7 2.181 1.782 8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.938 1.858 9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.773 3.598 9.863 1.00 0.00 H new ATOM 98 N SER A 8 0.217 3.353 10.442 1.00 0.00 N ATOM 99 CA SER A 8 -1.051 3.163 11.215 1.00 0.00 C ATOM 100 C SER A 8 -2.243 2.908 10.282 1.00 0.00 C ATOM 101 O SER A 8 -3.187 2.236 10.646 1.00 0.00 O ATOM 102 CB SER A 8 -1.328 4.417 12.043 1.00 0.00 C ATOM 103 OG SER A 8 -0.936 4.186 13.389 1.00 0.00 O ATOM 0 H SER A 8 0.628 4.284 10.509 1.00 0.00 H new ATOM 0 HA SER A 8 -0.928 2.295 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.781 5.266 11.633 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.387 4.670 11.999 1.00 0.00 H new ATOM 0 HG SER A 8 -1.111 4.989 13.923 1.00 0.00 H new ATOM 109 N LYS A 9 -2.223 3.449 9.097 1.00 0.00 N ATOM 110 CA LYS A 9 -3.367 3.247 8.168 1.00 0.00 C ATOM 111 C LYS A 9 -3.070 2.095 7.208 1.00 0.00 C ATOM 112 O LYS A 9 -3.965 1.554 6.589 1.00 0.00 O ATOM 113 CB LYS A 9 -3.606 4.530 7.369 1.00 0.00 C ATOM 114 CG LYS A 9 -4.108 5.627 8.310 1.00 0.00 C ATOM 115 CD LYS A 9 -5.380 6.253 7.734 1.00 0.00 C ATOM 116 CE LYS A 9 -5.141 6.645 6.275 1.00 0.00 C ATOM 117 NZ LYS A 9 -5.369 8.109 6.112 1.00 0.00 N ATOM 0 H LYS A 9 -1.463 4.023 8.732 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.257 3.004 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.683 4.846 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.336 4.350 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.310 5.210 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.340 6.390 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.208 5.547 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.662 7.131 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.123 6.389 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.812 6.086 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.207 8.377 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.348 8.340 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.712 8.633 6.724 1.00 0.00 H new ATOM 131 N MET A 10 -1.832 1.700 7.078 1.00 0.00 N ATOM 132 CA MET A 10 -1.525 0.571 6.155 1.00 0.00 C ATOM 133 C MET A 10 -1.411 -0.726 6.957 1.00 0.00 C ATOM 134 O MET A 10 -1.465 -1.813 6.418 1.00 0.00 O ATOM 135 CB MET A 10 -0.236 0.859 5.379 1.00 0.00 C ATOM 136 CG MET A 10 -0.391 2.186 4.634 1.00 0.00 C ATOM 137 SD MET A 10 -1.261 1.905 3.071 1.00 0.00 S ATOM 138 CE MET A 10 -2.697 2.951 3.421 1.00 0.00 C ATOM 0 H MET A 10 -1.031 2.104 7.563 1.00 0.00 H new ATOM 0 HA MET A 10 -2.332 0.460 5.431 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.612 0.907 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.032 0.053 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.944 2.897 5.248 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.589 2.624 4.443 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.381 2.926 2.573 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.208 2.582 4.310 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.368 3.976 3.591 1.00 0.00 H new ATOM 148 N LYS A 11 -1.289 -0.610 8.247 1.00 0.00 N ATOM 149 CA LYS A 11 -1.213 -1.815 9.104 1.00 0.00 C ATOM 150 C LYS A 11 -2.598 -2.498 9.234 1.00 0.00 C ATOM 151 O LYS A 11 -2.648 -3.699 9.413 1.00 0.00 O ATOM 152 CB LYS A 11 -0.674 -1.460 10.497 1.00 0.00 C ATOM 153 CG LYS A 11 -1.378 -0.220 11.049 1.00 0.00 C ATOM 154 CD LYS A 11 -2.637 -0.636 11.817 1.00 0.00 C ATOM 155 CE LYS A 11 -2.236 -1.271 13.151 1.00 0.00 C ATOM 156 NZ LYS A 11 -2.681 -0.397 14.274 1.00 0.00 N ATOM 0 H LYS A 11 -1.238 0.278 8.746 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.526 -2.514 8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.822 -2.301 11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.400 -1.281 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.704 0.329 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.644 0.452 10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.272 0.232 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.219 -1.343 11.226 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.687 -2.259 13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.155 -1.408 13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.408 -0.829 15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.231 0.537 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.715 -0.288 14.240 1.00 0.00 H new ATOM 170 N PRO A 12 -3.694 -1.751 9.132 1.00 0.00 N ATOM 171 CA PRO A 12 -5.037 -2.344 9.227 1.00 0.00 C ATOM 172 C PRO A 12 -5.376 -2.991 7.885 1.00 0.00 C ATOM 173 O PRO A 12 -6.254 -3.825 7.779 1.00 0.00 O ATOM 174 CB PRO A 12 -5.950 -1.146 9.517 1.00 0.00 C ATOM 175 CG PRO A 12 -5.196 0.107 9.015 1.00 0.00 C ATOM 176 CD PRO A 12 -3.719 -0.287 8.909 1.00 0.00 C ATOM 0 HA PRO A 12 -5.134 -3.115 9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.907 -1.254 9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.164 -1.070 10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.582 0.430 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.327 0.941 9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.312 -0.030 7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.117 0.236 9.653 1.00 0.00 H new ATOM 184 N CYS A 13 -4.659 -2.611 6.863 1.00 0.00 N ATOM 185 CA CYS A 13 -4.891 -3.189 5.512 1.00 0.00 C ATOM 186 C CYS A 13 -4.341 -4.616 5.473 1.00 0.00 C ATOM 187 O CYS A 13 -4.474 -5.322 4.489 1.00 0.00 O ATOM 188 CB CYS A 13 -4.142 -2.339 4.484 1.00 0.00 C ATOM 189 SG CYS A 13 -5.115 -0.868 4.091 1.00 0.00 S ATOM 0 H CYS A 13 -3.914 -1.916 6.909 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.958 -3.201 5.288 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.168 -2.049 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.960 -2.920 3.580 1.00 0.00 H new ATOM 194 N LEU A 14 -3.715 -5.039 6.534 1.00 0.00 N ATOM 195 CA LEU A 14 -3.137 -6.402 6.574 1.00 0.00 C ATOM 196 C LEU A 14 -4.260 -7.433 6.710 1.00 0.00 C ATOM 197 O LEU A 14 -4.197 -8.507 6.148 1.00 0.00 O ATOM 198 CB LEU A 14 -2.187 -6.469 7.765 1.00 0.00 C ATOM 199 CG LEU A 14 -1.234 -5.269 7.704 1.00 0.00 C ATOM 200 CD1 LEU A 14 -0.390 -5.207 8.977 1.00 0.00 C ATOM 201 CD2 LEU A 14 -0.319 -5.405 6.485 1.00 0.00 C ATOM 0 H LEU A 14 -3.580 -4.490 7.383 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.592 -6.623 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.750 -6.457 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.622 -7.401 7.746 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.817 -4.352 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.284 -4.352 8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.044 -5.102 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.193 -6.123 9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.358 -4.552 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.260 -6.325 6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.923 -5.435 5.578 1.00 0.00 H new ATOM 213 N THR A 15 -5.293 -7.119 7.444 1.00 0.00 N ATOM 214 CA THR A 15 -6.411 -8.081 7.594 1.00 0.00 C ATOM 215 C THR A 15 -7.019 -8.370 6.220 1.00 0.00 C ATOM 216 O THR A 15 -7.497 -9.452 5.956 1.00 0.00 O ATOM 217 CB THR A 15 -7.489 -7.493 8.505 1.00 0.00 C ATOM 218 OG1 THR A 15 -7.103 -6.195 8.937 1.00 0.00 O ATOM 219 CG2 THR A 15 -7.665 -8.402 9.713 1.00 0.00 C ATOM 0 H THR A 15 -5.407 -6.237 7.944 1.00 0.00 H new ATOM 0 HA THR A 15 -6.031 -9.003 8.034 1.00 0.00 H new ATOM 0 HB THR A 15 -8.429 -7.418 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.396 -6.271 9.611 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.432 -7.991 10.369 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.966 -9.395 9.380 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.723 -8.472 10.256 1.00 0.00 H new ATOM 227 N TYR A 16 -7.009 -7.406 5.344 1.00 0.00 N ATOM 228 CA TYR A 16 -7.588 -7.627 3.991 1.00 0.00 C ATOM 229 C TYR A 16 -6.524 -8.261 3.089 1.00 0.00 C ATOM 230 O TYR A 16 -6.648 -9.393 2.662 1.00 0.00 O ATOM 231 CB TYR A 16 -8.047 -6.276 3.408 1.00 0.00 C ATOM 232 CG TYR A 16 -7.929 -6.282 1.897 1.00 0.00 C ATOM 233 CD1 TYR A 16 -8.906 -6.916 1.119 1.00 0.00 C ATOM 234 CD2 TYR A 16 -6.836 -5.661 1.279 1.00 0.00 C ATOM 235 CE1 TYR A 16 -8.789 -6.928 -0.277 1.00 0.00 C ATOM 236 CE2 TYR A 16 -6.721 -5.673 -0.116 1.00 0.00 C ATOM 237 CZ TYR A 16 -7.697 -6.307 -0.894 1.00 0.00 C ATOM 238 OH TYR A 16 -7.584 -6.320 -2.269 1.00 0.00 O ATOM 0 H TYR A 16 -6.625 -6.475 5.506 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.447 -8.295 4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.080 -6.081 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.442 -5.470 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.749 -7.395 1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.082 -5.173 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.542 -7.417 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.879 -5.193 -0.592 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.663 -6.101 -2.524 1.00 0.00 H new ATOM 248 N VAL A 17 -5.488 -7.529 2.791 1.00 0.00 N ATOM 249 CA VAL A 17 -4.418 -8.066 1.908 1.00 0.00 C ATOM 250 C VAL A 17 -3.942 -9.426 2.419 1.00 0.00 C ATOM 251 O VAL A 17 -3.355 -10.196 1.687 1.00 0.00 O ATOM 252 CB VAL A 17 -3.241 -7.092 1.900 1.00 0.00 C ATOM 253 CG1 VAL A 17 -3.698 -5.740 1.351 1.00 0.00 C ATOM 254 CG2 VAL A 17 -2.726 -6.916 3.330 1.00 0.00 C ATOM 0 H VAL A 17 -5.336 -6.577 3.123 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.814 -8.185 0.900 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.444 -7.485 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.857 -5.046 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.070 -5.867 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.493 -5.342 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.886 -6.222 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.524 -6.521 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.401 -7.880 3.721 1.00 0.00 H new ATOM 264 N GLN A 18 -4.177 -9.728 3.666 1.00 0.00 N ATOM 265 CA GLN A 18 -3.718 -11.037 4.210 1.00 0.00 C ATOM 266 C GLN A 18 -4.928 -11.854 4.689 1.00 0.00 C ATOM 267 O GLN A 18 -5.090 -13.005 4.335 1.00 0.00 O ATOM 268 CB GLN A 18 -2.718 -10.776 5.360 1.00 0.00 C ATOM 269 CG GLN A 18 -3.240 -11.309 6.704 1.00 0.00 C ATOM 270 CD GLN A 18 -2.247 -10.965 7.815 1.00 0.00 C ATOM 271 OE1 GLN A 18 -2.073 -9.717 8.156 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 -1.624 -11.841 8.381 1.00 0.00 N flip ATOM 0 H GLN A 18 -4.665 -9.127 4.330 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.215 -11.615 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.765 -11.250 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.530 -9.705 5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.214 -10.873 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.379 -12.389 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.759 -12.816 8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.966 -11.601 9.122 1.00 0.00 H new ATOM 281 N GLY A 19 -5.768 -11.274 5.499 1.00 0.00 N ATOM 282 CA GLY A 19 -6.951 -12.024 6.005 1.00 0.00 C ATOM 283 C GLY A 19 -7.829 -12.462 4.833 1.00 0.00 C ATOM 284 O GLY A 19 -8.310 -13.577 4.793 1.00 0.00 O ATOM 0 H GLY A 19 -5.687 -10.314 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.625 -12.896 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.526 -11.397 6.687 1.00 0.00 H new ATOM 288 N GLY A 20 -8.049 -11.600 3.876 1.00 0.00 N ATOM 289 CA GLY A 20 -8.902 -11.994 2.722 1.00 0.00 C ATOM 290 C GLY A 20 -10.115 -11.059 2.589 1.00 0.00 C ATOM 291 O GLY A 20 -10.443 -10.643 1.495 1.00 0.00 O ATOM 0 H GLY A 20 -7.678 -10.650 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.314 -11.966 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.243 -13.021 2.851 1.00 0.00 H new ATOM 295 N PRO A 21 -10.763 -10.768 3.694 1.00 0.00 N ATOM 296 CA PRO A 21 -11.955 -9.901 3.695 1.00 0.00 C ATOM 297 C PRO A 21 -11.557 -8.427 3.570 1.00 0.00 C ATOM 298 O PRO A 21 -10.835 -7.893 4.388 1.00 0.00 O ATOM 299 CB PRO A 21 -12.612 -10.192 5.048 1.00 0.00 C ATOM 300 CG PRO A 21 -11.501 -10.761 5.962 1.00 0.00 C ATOM 301 CD PRO A 21 -10.377 -11.262 5.035 1.00 0.00 C ATOM 0 HA PRO A 21 -12.625 -10.094 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.039 -9.285 5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.428 -10.907 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.129 -9.994 6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.885 -11.574 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.406 -10.871 5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.302 -12.349 5.052 1.00 0.00 H new ATOM 309 N GLY A 22 -12.027 -7.771 2.542 1.00 0.00 N ATOM 310 CA GLY A 22 -11.685 -6.334 2.342 1.00 0.00 C ATOM 311 C GLY A 22 -11.675 -6.027 0.841 1.00 0.00 C ATOM 312 O GLY A 22 -12.125 -6.829 0.046 1.00 0.00 O ATOM 0 H GLY A 22 -12.636 -8.172 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.411 -5.700 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.710 -6.115 2.777 1.00 0.00 H new ATOM 316 N PRO A 23 -11.165 -4.872 0.499 1.00 0.00 N ATOM 317 CA PRO A 23 -10.623 -3.907 1.474 1.00 0.00 C ATOM 318 C PRO A 23 -11.760 -3.180 2.197 1.00 0.00 C ATOM 319 O PRO A 23 -12.919 -3.334 1.865 1.00 0.00 O ATOM 320 CB PRO A 23 -9.809 -2.941 0.607 1.00 0.00 C ATOM 321 CG PRO A 23 -10.372 -3.062 -0.828 1.00 0.00 C ATOM 322 CD PRO A 23 -11.090 -4.422 -0.905 1.00 0.00 C ATOM 0 HA PRO A 23 -10.024 -4.374 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.899 -1.919 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.750 -3.196 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.062 -2.247 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.571 -3.004 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.082 -4.324 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.536 -5.130 -1.521 1.00 0.00 H new ATOM 330 N SER A 24 -11.439 -2.391 3.185 1.00 0.00 N ATOM 331 CA SER A 24 -12.502 -1.660 3.931 1.00 0.00 C ATOM 332 C SER A 24 -12.739 -0.296 3.282 1.00 0.00 C ATOM 333 O SER A 24 -13.413 0.555 3.831 1.00 0.00 O ATOM 334 CB SER A 24 -12.060 -1.463 5.381 1.00 0.00 C ATOM 335 OG SER A 24 -12.296 -2.660 6.110 1.00 0.00 O ATOM 0 H SER A 24 -10.487 -2.221 3.508 1.00 0.00 H new ATOM 0 HA SER A 24 -13.426 -2.238 3.905 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.002 -1.203 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.608 -0.635 5.831 1.00 0.00 H new ATOM 0 HG SER A 24 -12.012 -2.538 7.040 1.00 0.00 H new ATOM 341 N GLY A 25 -12.192 -0.078 2.119 1.00 0.00 N ATOM 342 CA GLY A 25 -12.387 1.232 1.440 1.00 0.00 C ATOM 343 C GLY A 25 -11.274 2.191 1.860 1.00 0.00 C ATOM 344 O GLY A 25 -10.658 2.841 1.037 1.00 0.00 O ATOM 0 H GLY A 25 -11.619 -0.750 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.378 1.098 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.360 1.649 1.702 1.00 0.00 H new ATOM 348 N GLU A 26 -11.009 2.285 3.135 1.00 0.00 N ATOM 349 CA GLU A 26 -9.944 3.191 3.606 1.00 0.00 C ATOM 350 C GLU A 26 -8.589 2.654 3.148 1.00 0.00 C ATOM 351 O GLU A 26 -7.613 3.375 3.076 1.00 0.00 O ATOM 352 CB GLU A 26 -9.992 3.248 5.129 1.00 0.00 C ATOM 353 CG GLU A 26 -10.040 1.829 5.697 1.00 0.00 C ATOM 354 CD GLU A 26 -8.767 1.560 6.503 1.00 0.00 C ATOM 355 OE1 GLU A 26 -8.736 1.932 7.665 1.00 0.00 O ATOM 356 OE2 GLU A 26 -7.844 0.990 5.945 1.00 0.00 O ATOM 0 H GLU A 26 -11.492 1.766 3.869 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.088 4.191 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.116 3.773 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.868 3.810 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.918 1.709 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.131 1.105 4.888 1.00 0.00 H new ATOM 363 N CYS A 27 -8.524 1.392 2.831 1.00 0.00 N ATOM 364 CA CYS A 27 -7.236 0.810 2.371 1.00 0.00 C ATOM 365 C CYS A 27 -6.826 1.481 1.062 1.00 0.00 C ATOM 366 O CYS A 27 -5.796 2.120 0.973 1.00 0.00 O ATOM 367 CB CYS A 27 -7.410 -0.692 2.141 1.00 0.00 C ATOM 368 SG CYS A 27 -6.946 -1.588 3.642 1.00 0.00 S ATOM 0 H CYS A 27 -9.307 0.740 2.871 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.467 0.973 3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.444 -0.913 1.877 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.791 -1.017 1.304 1.00 0.00 H new ATOM 373 N CYS A 28 -7.625 1.337 0.043 1.00 0.00 N ATOM 374 CA CYS A 28 -7.286 1.960 -1.261 1.00 0.00 C ATOM 375 C CYS A 28 -7.391 3.481 -1.158 1.00 0.00 C ATOM 376 O CYS A 28 -6.667 4.198 -1.814 1.00 0.00 O ATOM 377 CB CYS A 28 -8.247 1.466 -2.337 1.00 0.00 C ATOM 378 SG CYS A 28 -9.901 2.133 -2.021 1.00 0.00 S ATOM 0 H CYS A 28 -8.500 0.813 0.059 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.265 1.683 -1.525 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.899 1.778 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.277 0.376 -2.340 1.00 0.00 H new ATOM 383 N ASN A 29 -8.278 3.993 -0.345 1.00 0.00 N ATOM 384 CA ASN A 29 -8.382 5.470 -0.232 1.00 0.00 C ATOM 385 C ASN A 29 -7.149 5.973 0.521 1.00 0.00 C ATOM 386 O ASN A 29 -6.758 7.118 0.414 1.00 0.00 O ATOM 387 CB ASN A 29 -9.685 5.846 0.499 1.00 0.00 C ATOM 388 CG ASN A 29 -9.446 6.031 2.002 1.00 0.00 C ATOM 389 OD1 ASN A 29 -8.550 5.440 2.569 1.00 0.00 O ATOM 390 ND2 ASN A 29 -10.226 6.828 2.675 1.00 0.00 N ATOM 0 H ASN A 29 -8.924 3.458 0.236 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.415 5.936 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.089 6.766 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.431 5.068 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.083 6.955 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.979 7.325 2.200 1.00 0.00 H new ATOM 397 N GLY A 30 -6.527 5.103 1.271 1.00 0.00 N ATOM 398 CA GLY A 30 -5.308 5.498 2.023 1.00 0.00 C ATOM 399 C GLY A 30 -4.116 5.484 1.068 1.00 0.00 C ATOM 400 O GLY A 30 -3.372 6.435 0.980 1.00 0.00 O ATOM 0 H GLY A 30 -6.815 4.132 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.435 6.491 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.136 4.811 2.852 1.00 0.00 H new ATOM 404 N VAL A 31 -3.934 4.415 0.338 1.00 0.00 N ATOM 405 CA VAL A 31 -2.793 4.357 -0.619 1.00 0.00 C ATOM 406 C VAL A 31 -2.942 5.498 -1.631 1.00 0.00 C ATOM 407 O VAL A 31 -2.007 6.221 -1.913 1.00 0.00 O ATOM 408 CB VAL A 31 -2.792 3.003 -1.333 1.00 0.00 C ATOM 409 CG1 VAL A 31 -1.561 2.896 -2.238 1.00 0.00 C ATOM 410 CG2 VAL A 31 -2.748 1.883 -0.288 1.00 0.00 C ATOM 0 H VAL A 31 -4.524 3.583 0.364 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.848 4.468 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.694 2.912 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.564 1.931 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.584 3.695 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.657 2.986 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.747 0.916 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.843 1.981 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.622 1.955 0.359 1.00 0.00 H new ATOM 420 N ARG A 32 -4.119 5.695 -2.153 1.00 0.00 N ATOM 421 CA ARG A 32 -4.320 6.819 -3.106 1.00 0.00 C ATOM 422 C ARG A 32 -3.931 8.098 -2.367 1.00 0.00 C ATOM 423 O ARG A 32 -3.479 9.064 -2.949 1.00 0.00 O ATOM 424 CB ARG A 32 -5.791 6.891 -3.521 1.00 0.00 C ATOM 425 CG ARG A 32 -6.061 8.224 -4.220 1.00 0.00 C ATOM 426 CD ARG A 32 -6.714 7.965 -5.578 1.00 0.00 C ATOM 427 NE ARG A 32 -7.950 8.788 -5.700 1.00 0.00 N ATOM 428 CZ ARG A 32 -9.122 8.221 -5.610 1.00 0.00 C ATOM 429 NH1 ARG A 32 -9.571 7.830 -4.448 1.00 0.00 N ATOM 430 NH2 ARG A 32 -9.846 8.045 -6.682 1.00 0.00 N ATOM 0 H ARG A 32 -4.946 5.130 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.718 6.684 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.032 6.063 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.432 6.792 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.712 8.844 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.129 8.773 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.019 8.212 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.957 6.907 -5.681 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.880 9.794 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.006 7.968 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.487 7.387 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.496 8.351 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.762 7.602 -6.612 1.00 0.00 H new ATOM 444 N ASP A 33 -4.072 8.096 -1.067 1.00 0.00 N ATOM 445 CA ASP A 33 -3.664 9.289 -0.288 1.00 0.00 C ATOM 446 C ASP A 33 -2.153 9.390 -0.436 1.00 0.00 C ATOM 447 O ASP A 33 -1.612 10.430 -0.762 1.00 0.00 O ATOM 448 CB ASP A 33 -4.039 9.115 1.185 1.00 0.00 C ATOM 449 CG ASP A 33 -3.903 10.456 1.906 1.00 0.00 C ATOM 450 OD1 ASP A 33 -2.797 10.970 1.956 1.00 0.00 O ATOM 451 OD2 ASP A 33 -4.906 10.947 2.396 1.00 0.00 O ATOM 0 H ASP A 33 -4.450 7.323 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.163 10.189 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.061 8.746 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.392 8.372 1.651 1.00 0.00 H new ATOM 456 N LEU A 34 -1.467 8.288 -0.259 1.00 0.00 N ATOM 457 CA LEU A 34 -0.013 8.293 -0.454 1.00 0.00 C ATOM 458 C LEU A 34 0.228 8.874 -1.839 1.00 0.00 C ATOM 459 O LEU A 34 1.236 9.486 -2.109 1.00 0.00 O ATOM 460 CB LEU A 34 0.490 6.854 -0.407 1.00 0.00 C ATOM 461 CG LEU A 34 0.612 6.351 1.040 1.00 0.00 C ATOM 462 CD1 LEU A 34 -0.504 6.928 1.919 1.00 0.00 C ATOM 463 CD2 LEU A 34 0.509 4.819 1.039 1.00 0.00 C ATOM 0 H LEU A 34 -1.867 7.390 0.013 1.00 0.00 H new ATOM 0 HA LEU A 34 0.503 8.872 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.192 6.210 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.460 6.790 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 34 1.571 6.674 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.394 6.556 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.440 8.016 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.473 6.623 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.594 4.448 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.453 4.519 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.313 4.401 0.433 1.00 0.00 H new ATOM 475 N HIS A 35 -0.728 8.680 -2.714 1.00 0.00 N ATOM 476 CA HIS A 35 -0.621 9.216 -4.095 1.00 0.00 C ATOM 477 C HIS A 35 -0.604 10.745 -4.039 1.00 0.00 C ATOM 478 O HIS A 35 0.342 11.382 -4.456 1.00 0.00 O ATOM 479 CB HIS A 35 -1.836 8.748 -4.896 1.00 0.00 C ATOM 480 CG HIS A 35 -1.377 8.075 -6.138 1.00 0.00 C ATOM 481 ND1 HIS A 35 -1.437 8.426 -7.460 1.00 0.00 N flip ATOM 482 CD2 HIS A 35 -0.776 6.840 -6.093 1.00 0.00 C flip ATOM 483 CE1 HIS A 35 -0.877 7.414 -8.229 1.00 0.00 C flip ATOM 484 NE2 HIS A 35 -0.497 6.486 -7.346 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.587 8.165 -2.522 1.00 0.00 H new ATOM 0 HA HIS A 35 0.294 8.861 -4.568 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.438 8.063 -4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.472 9.598 -5.143 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.831 9.294 -7.823 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.568 6.262 -5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.772 7.384 -9.303 1.00 0.00 H new ATOM 492 N ASN A 36 -1.645 11.338 -3.518 1.00 0.00 N ATOM 493 CA ASN A 36 -1.684 12.823 -3.426 1.00 0.00 C ATOM 494 C ASN A 36 -0.431 13.301 -2.692 1.00 0.00 C ATOM 495 O ASN A 36 -0.007 14.431 -2.829 1.00 0.00 O ATOM 496 CB ASN A 36 -2.930 13.255 -2.647 1.00 0.00 C ATOM 497 CG ASN A 36 -4.186 12.757 -3.366 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.237 12.733 -4.580 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.211 12.354 -2.663 1.00 0.00 N ATOM 0 H ASN A 36 -2.468 10.858 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.719 13.257 -4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.895 12.853 -1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.957 14.341 -2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.052 12.020 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.170 12.373 -1.644 1.00 0.00 H new ATOM 506 N GLN A 37 0.163 12.440 -1.912 1.00 0.00 N ATOM 507 CA GLN A 37 1.391 12.826 -1.162 1.00 0.00 C ATOM 508 C GLN A 37 2.607 12.732 -2.085 1.00 0.00 C ATOM 509 O GLN A 37 3.534 13.511 -1.991 1.00 0.00 O ATOM 510 CB GLN A 37 1.581 11.866 0.012 1.00 0.00 C ATOM 511 CG GLN A 37 0.575 12.199 1.115 1.00 0.00 C ATOM 512 CD GLN A 37 1.053 13.431 1.886 1.00 0.00 C ATOM 513 OE1 GLN A 37 1.268 14.477 1.308 1.00 0.00 O ATOM 514 NE2 GLN A 37 1.228 13.351 3.177 1.00 0.00 N ATOM 0 H GLN A 37 -0.151 11.481 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 37 1.289 13.848 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.444 10.837 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.598 11.944 0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.407 12.387 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.468 11.352 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.047 12.472 3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.545 14.167 3.700 1.00 0.00 H new ATOM 523 N ALA A 38 2.608 11.777 -2.973 1.00 0.00 N ATOM 524 CA ALA A 38 3.760 11.621 -3.902 1.00 0.00 C ATOM 525 C ALA A 38 3.750 12.768 -4.914 1.00 0.00 C ATOM 526 O ALA A 38 2.877 12.859 -5.754 1.00 0.00 O ATOM 527 CB ALA A 38 3.654 10.275 -4.630 1.00 0.00 C ATOM 0 H ALA A 38 1.858 11.096 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 38 4.693 11.646 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.498 10.162 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.664 9.465 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.724 10.240 -5.197 1.00 0.00 H new ATOM 533 N GLN A 39 4.709 13.655 -4.835 1.00 0.00 N ATOM 534 CA GLN A 39 4.737 14.802 -5.792 1.00 0.00 C ATOM 535 C GLN A 39 6.180 15.269 -6.021 1.00 0.00 C ATOM 536 O GLN A 39 6.542 15.668 -7.111 1.00 0.00 O ATOM 537 CB GLN A 39 3.909 15.957 -5.224 1.00 0.00 C ATOM 538 CG GLN A 39 2.538 15.983 -5.902 1.00 0.00 C ATOM 539 CD GLN A 39 1.584 16.866 -5.093 1.00 0.00 C ATOM 540 OE1 GLN A 39 1.041 17.823 -5.608 1.00 0.00 O ATOM 541 NE2 GLN A 39 1.354 16.582 -3.840 1.00 0.00 N ATOM 0 H GLN A 39 5.469 13.635 -4.155 1.00 0.00 H new ATOM 0 HA GLN A 39 4.316 14.480 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.792 15.839 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.425 16.903 -5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.631 16.366 -6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.139 14.972 -5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.810 15.779 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.719 17.163 -3.294 1.00 0.00 H new ATOM 579 N ASP A 43 8.083 10.635 -3.535 1.00 0.00 N ATOM 580 CA ASP A 43 7.562 10.313 -2.191 1.00 0.00 C ATOM 581 C ASP A 43 7.096 8.871 -2.197 1.00 0.00 C ATOM 582 O ASP A 43 6.344 8.441 -1.346 1.00 0.00 O ATOM 583 CB ASP A 43 6.415 11.256 -1.833 1.00 0.00 C ATOM 584 CG ASP A 43 6.760 12.008 -0.546 1.00 0.00 C ATOM 585 OD1 ASP A 43 7.656 11.564 0.153 1.00 0.00 O ATOM 586 OD2 ASP A 43 6.122 13.013 -0.281 1.00 0.00 O ATOM 0 HA ASP A 43 8.342 10.441 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.243 11.962 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.492 10.691 -1.701 1.00 0.00 H new ATOM 591 N ARG A 44 7.552 8.110 -3.155 1.00 0.00 N ATOM 592 CA ARG A 44 7.157 6.705 -3.219 1.00 0.00 C ATOM 593 C ARG A 44 8.199 5.871 -2.474 1.00 0.00 C ATOM 594 O ARG A 44 7.907 4.827 -1.943 1.00 0.00 O ATOM 595 CB ARG A 44 7.081 6.276 -4.668 1.00 0.00 C ATOM 596 CG ARG A 44 5.904 6.970 -5.355 1.00 0.00 C ATOM 597 CD ARG A 44 6.430 7.924 -6.429 1.00 0.00 C ATOM 598 NE ARG A 44 5.982 7.454 -7.770 1.00 0.00 N ATOM 599 CZ ARG A 44 4.811 7.807 -8.226 1.00 0.00 C ATOM 600 NH1 ARG A 44 4.430 9.052 -8.150 1.00 0.00 N ATOM 601 NH2 ARG A 44 4.019 6.914 -8.755 1.00 0.00 N ATOM 0 H ARG A 44 8.185 8.418 -3.893 1.00 0.00 H new ATOM 0 HA ARG A 44 6.180 6.561 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.011 6.526 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.963 5.194 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.243 6.229 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.314 7.520 -4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.064 8.934 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.518 7.967 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 44 6.590 6.857 -8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.047 9.750 -7.734 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.515 9.328 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.315 5.940 -8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.104 7.191 -9.111 1.00 0.00 H new ATOM 615 N GLN A 45 9.416 6.334 -2.422 1.00 0.00 N ATOM 616 CA GLN A 45 10.465 5.573 -1.692 1.00 0.00 C ATOM 617 C GLN A 45 10.036 5.425 -0.231 1.00 0.00 C ATOM 618 O GLN A 45 10.089 4.355 0.338 1.00 0.00 O ATOM 619 CB GLN A 45 11.788 6.334 -1.764 1.00 0.00 C ATOM 620 CG GLN A 45 12.311 6.293 -3.198 1.00 0.00 C ATOM 621 CD GLN A 45 11.647 7.400 -4.019 1.00 0.00 C ATOM 622 OE1 GLN A 45 11.921 8.567 -3.822 1.00 0.00 O ATOM 623 NE2 GLN A 45 10.779 7.078 -4.939 1.00 0.00 N ATOM 0 H GLN A 45 9.729 7.204 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 45 10.594 4.589 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.646 7.367 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.515 5.888 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.393 6.421 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.102 5.321 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.550 6.098 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.330 7.807 -5.494 1.00 0.00 H new ATOM 632 N THR A 46 9.599 6.496 0.375 1.00 0.00 N ATOM 633 CA THR A 46 9.150 6.424 1.795 1.00 0.00 C ATOM 634 C THR A 46 7.904 5.540 1.877 1.00 0.00 C ATOM 635 O THR A 46 7.938 4.435 2.378 1.00 0.00 O ATOM 636 CB THR A 46 8.827 7.851 2.292 1.00 0.00 C ATOM 637 OG1 THR A 46 9.931 8.345 3.036 1.00 0.00 O ATOM 638 CG2 THR A 46 7.571 7.857 3.184 1.00 0.00 C ATOM 0 H THR A 46 9.534 7.419 -0.053 1.00 0.00 H new ATOM 0 HA THR A 46 9.933 5.997 2.421 1.00 0.00 H new ATOM 0 HB THR A 46 8.637 8.485 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.733 9.251 3.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.368 8.874 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.719 7.485 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.737 7.216 4.050 1.00 0.00 H new ATOM 646 N VAL A 47 6.803 6.039 1.394 1.00 0.00 N ATOM 647 CA VAL A 47 5.535 5.265 1.441 1.00 0.00 C ATOM 648 C VAL A 47 5.773 3.820 1.018 1.00 0.00 C ATOM 649 O VAL A 47 5.528 2.889 1.759 1.00 0.00 O ATOM 650 CB VAL A 47 4.546 5.884 0.473 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.212 5.192 0.660 1.00 0.00 C ATOM 652 CG2 VAL A 47 4.403 7.380 0.757 1.00 0.00 C ATOM 0 H VAL A 47 6.727 6.961 0.964 1.00 0.00 H new ATOM 0 HA VAL A 47 5.151 5.285 2.461 1.00 0.00 H new ATOM 0 HB VAL A 47 4.894 5.762 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.481 5.620 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.323 4.127 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.871 5.330 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.691 7.817 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.045 7.524 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.371 7.867 0.640 1.00 0.00 H new ATOM 662 N CYS A 48 6.218 3.634 -0.186 1.00 0.00 N ATOM 663 CA CYS A 48 6.463 2.264 -0.695 1.00 0.00 C ATOM 664 C CYS A 48 7.266 1.465 0.338 1.00 0.00 C ATOM 665 O CYS A 48 6.863 0.398 0.758 1.00 0.00 O ATOM 666 CB CYS A 48 7.245 2.347 -2.006 1.00 0.00 C ATOM 667 SG CYS A 48 7.458 0.678 -2.671 1.00 0.00 S ATOM 0 H CYS A 48 6.425 4.382 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 48 5.511 1.763 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.713 2.973 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.216 2.812 -1.836 1.00 0.00 H new ATOM 672 N ASN A 49 8.398 1.971 0.755 1.00 0.00 N ATOM 673 CA ASN A 49 9.216 1.234 1.763 1.00 0.00 C ATOM 674 C ASN A 49 8.345 0.915 2.979 1.00 0.00 C ATOM 675 O ASN A 49 8.552 -0.064 3.664 1.00 0.00 O ATOM 676 CB ASN A 49 10.401 2.098 2.201 1.00 0.00 C ATOM 677 CG ASN A 49 11.643 1.711 1.395 1.00 0.00 C ATOM 678 OD1 ASN A 49 11.731 2.065 0.141 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 12.544 1.080 1.911 1.00 0.00 N flip ATOM 0 H ASN A 49 8.790 2.859 0.442 1.00 0.00 H new ATOM 0 HA ASN A 49 9.589 0.310 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.171 3.153 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.589 1.962 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.477 0.803 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.368 0.828 1.365 1.00 0.00 H new ATOM 686 N CYS A 50 7.376 1.744 3.251 1.00 0.00 N ATOM 687 CA CYS A 50 6.477 1.508 4.419 1.00 0.00 C ATOM 688 C CYS A 50 5.519 0.348 4.117 1.00 0.00 C ATOM 689 O CYS A 50 5.632 -0.718 4.690 1.00 0.00 O ATOM 690 CB CYS A 50 5.671 2.775 4.704 1.00 0.00 C ATOM 691 SG CYS A 50 6.795 4.096 5.214 1.00 0.00 S ATOM 0 H CYS A 50 7.165 2.583 2.710 1.00 0.00 H new ATOM 0 HA CYS A 50 7.081 1.254 5.290 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.118 3.076 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.937 2.584 5.487 1.00 0.00 H new ATOM 696 N LEU A 51 4.569 0.546 3.231 1.00 0.00 N ATOM 697 CA LEU A 51 3.612 -0.554 2.910 1.00 0.00 C ATOM 698 C LEU A 51 4.378 -1.876 2.815 1.00 0.00 C ATOM 699 O LEU A 51 3.901 -2.914 3.231 1.00 0.00 O ATOM 700 CB LEU A 51 2.907 -0.275 1.572 1.00 0.00 C ATOM 701 CG LEU A 51 2.503 1.204 1.470 1.00 0.00 C ATOM 702 CD1 LEU A 51 1.353 1.348 0.465 1.00 0.00 C ATOM 703 CD2 LEU A 51 2.041 1.720 2.838 1.00 0.00 C ATOM 0 H LEU A 51 4.419 1.417 2.722 1.00 0.00 H new ATOM 0 HA LEU A 51 2.861 -0.614 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.569 -0.534 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.023 -0.906 1.483 1.00 0.00 H new ATOM 0 HG LEU A 51 3.364 1.785 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.064 2.396 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.677 0.991 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.500 0.760 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.757 2.769 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.184 1.138 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.853 1.620 3.558 1.00 0.00 H new ATOM 715 N LYS A 52 5.571 -1.845 2.284 1.00 0.00 N ATOM 716 CA LYS A 52 6.371 -3.096 2.178 1.00 0.00 C ATOM 717 C LYS A 52 6.819 -3.515 3.579 1.00 0.00 C ATOM 718 O LYS A 52 6.726 -4.664 3.959 1.00 0.00 O ATOM 719 CB LYS A 52 7.606 -2.848 1.310 1.00 0.00 C ATOM 720 CG LYS A 52 8.523 -4.071 1.375 1.00 0.00 C ATOM 721 CD LYS A 52 9.736 -3.849 0.471 1.00 0.00 C ATOM 722 CE LYS A 52 11.006 -4.271 1.211 1.00 0.00 C ATOM 723 NZ LYS A 52 11.909 -3.095 1.360 1.00 0.00 N ATOM 0 H LYS A 52 6.025 -1.007 1.920 1.00 0.00 H new ATOM 0 HA LYS A 52 5.765 -3.881 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.308 -2.657 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.137 -1.962 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.848 -4.241 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.980 -4.963 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.629 -4.426 -0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.801 -2.800 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.751 -4.674 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.513 -5.065 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.773 -3.382 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.161 -2.730 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.424 -2.351 1.901 1.00 0.00 H new ATOM 737 N GLY A 53 7.302 -2.579 4.349 1.00 0.00 N ATOM 738 CA GLY A 53 7.758 -2.898 5.730 1.00 0.00 C ATOM 739 C GLY A 53 6.619 -3.574 6.491 1.00 0.00 C ATOM 740 O GLY A 53 6.840 -4.374 7.379 1.00 0.00 O ATOM 0 H GLY A 53 7.401 -1.601 4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.628 -3.553 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.065 -1.987 6.244 1.00 0.00 H new ATOM 744 N ILE A 54 5.401 -3.267 6.143 1.00 0.00 N ATOM 745 CA ILE A 54 4.247 -3.903 6.835 1.00 0.00 C ATOM 746 C ILE A 54 3.975 -5.259 6.180 1.00 0.00 C ATOM 747 O ILE A 54 4.227 -6.300 6.755 1.00 0.00 O ATOM 748 CB ILE A 54 3.013 -3.010 6.698 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.398 -1.559 6.998 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.939 -3.466 7.686 1.00 0.00 C ATOM 751 CD1 ILE A 54 2.240 -0.635 6.616 1.00 0.00 C ATOM 0 H ILE A 54 5.155 -2.603 5.409 1.00 0.00 H new ATOM 0 HA ILE A 54 4.472 -4.038 7.893 1.00 0.00 H new ATOM 0 HB ILE A 54 2.625 -3.082 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.634 -1.445 8.056 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.294 -1.286 6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.060 -2.829 7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.664 -4.499 7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.326 -3.395 8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.513 0.398 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.025 -0.741 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.355 -0.903 7.193 1.00 0.00 H new ATOM 763 N ALA A 55 3.471 -5.243 4.974 1.00 0.00 N ATOM 764 CA ALA A 55 3.184 -6.510 4.244 1.00 0.00 C ATOM 765 C ALA A 55 4.261 -7.562 4.546 1.00 0.00 C ATOM 766 O ALA A 55 4.006 -8.749 4.512 1.00 0.00 O ATOM 767 CB ALA A 55 3.188 -6.213 2.747 1.00 0.00 C ATOM 0 H ALA A 55 3.243 -4.393 4.458 1.00 0.00 H new ATOM 0 HA ALA A 55 2.216 -6.898 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.980 -7.129 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.423 -5.471 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.165 -5.827 2.455 1.00 0.00 H new ATOM 773 N ARG A 56 5.463 -7.137 4.830 1.00 0.00 N ATOM 774 CA ARG A 56 6.554 -8.111 5.123 1.00 0.00 C ATOM 775 C ARG A 56 6.513 -8.496 6.604 1.00 0.00 C ATOM 776 O ARG A 56 7.520 -8.509 7.283 1.00 0.00 O ATOM 777 CB ARG A 56 7.909 -7.476 4.796 1.00 0.00 C ATOM 778 CG ARG A 56 8.071 -6.180 5.590 1.00 0.00 C ATOM 779 CD ARG A 56 8.995 -6.424 6.784 1.00 0.00 C ATOM 780 NE ARG A 56 9.818 -5.207 7.029 1.00 0.00 N ATOM 781 CZ ARG A 56 11.065 -5.175 6.646 1.00 0.00 C ATOM 782 NH1 ARG A 56 11.964 -5.865 7.294 1.00 0.00 N ATOM 783 NH2 ARG A 56 11.414 -4.453 5.616 1.00 0.00 N ATOM 0 H ARG A 56 5.737 -6.155 4.872 1.00 0.00 H new ATOM 0 HA ARG A 56 6.416 -9.004 4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.715 -8.168 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.978 -7.271 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.484 -5.399 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.099 -5.829 5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.407 -6.663 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.641 -7.280 6.589 1.00 0.00 H new ATOM 0 HE ARG A 56 9.407 -4.399 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.691 -6.429 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.939 -5.840 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.712 -3.913 5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.389 -4.428 5.317 1.00 0.00 H new ATOM 797 N GLY A 57 5.353 -8.820 7.102 1.00 0.00 N ATOM 798 CA GLY A 57 5.230 -9.218 8.533 1.00 0.00 C ATOM 799 C GLY A 57 3.979 -10.069 8.663 1.00 0.00 C ATOM 800 O GLY A 57 3.350 -10.138 9.701 1.00 0.00 O ATOM 0 H GLY A 57 4.479 -8.826 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.109 -9.777 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.163 -8.337 9.172 1.00 0.00 H new ATOM 804 N ILE A 58 3.608 -10.700 7.589 1.00 0.00 N ATOM 805 CA ILE A 58 2.390 -11.541 7.583 1.00 0.00 C ATOM 806 C ILE A 58 2.780 -13.005 7.354 1.00 0.00 C ATOM 807 O ILE A 58 3.853 -13.302 6.867 1.00 0.00 O ATOM 808 CB ILE A 58 1.493 -11.043 6.447 1.00 0.00 C ATOM 809 CG1 ILE A 58 0.753 -9.784 6.903 1.00 0.00 C ATOM 810 CG2 ILE A 58 0.480 -12.112 6.056 1.00 0.00 C ATOM 811 CD1 ILE A 58 0.016 -9.166 5.714 1.00 0.00 C ATOM 0 H ILE A 58 4.108 -10.666 6.701 1.00 0.00 H new ATOM 0 HA ILE A 58 1.863 -11.475 8.535 1.00 0.00 H new ATOM 0 HB ILE A 58 2.115 -10.817 5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.045 -10.032 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.459 -9.066 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.148 -11.739 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.006 -13.007 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.143 -12.355 6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.511 -8.269 6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.734 -8.903 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.701 -9.885 5.317 1.00 0.00 H new ATOM 823 N HIS A 59 1.915 -13.922 7.696 1.00 0.00 N ATOM 824 CA HIS A 59 2.236 -15.364 7.491 1.00 0.00 C ATOM 825 C HIS A 59 1.897 -15.756 6.051 1.00 0.00 C ATOM 826 O HIS A 59 2.754 -16.149 5.284 1.00 0.00 O ATOM 827 CB HIS A 59 1.410 -16.216 8.458 1.00 0.00 C ATOM 828 CG HIS A 59 2.106 -16.287 9.790 1.00 0.00 C ATOM 829 ND1 HIS A 59 1.586 -15.692 10.929 1.00 0.00 N ATOM 830 CD2 HIS A 59 3.282 -16.878 10.180 1.00 0.00 C ATOM 831 CE1 HIS A 59 2.441 -15.935 11.940 1.00 0.00 C ATOM 832 NE2 HIS A 59 3.492 -16.655 11.538 1.00 0.00 N ATOM 0 H HIS A 59 1.001 -13.735 8.108 1.00 0.00 H new ATOM 0 HA HIS A 59 3.297 -15.531 7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.416 -15.786 8.579 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.277 -17.219 8.052 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.944 -17.432 9.531 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.295 -15.590 12.953 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.279 -16.973 12.104 1.00 0.00 H new ATOM 840 N ASN A 60 0.650 -15.646 5.678 1.00 0.00 N ATOM 841 CA ASN A 60 0.248 -16.005 4.288 1.00 0.00 C ATOM 842 C ASN A 60 -0.332 -14.766 3.603 1.00 0.00 C ATOM 843 O ASN A 60 -1.494 -14.724 3.249 1.00 0.00 O ATOM 844 CB ASN A 60 -0.812 -17.109 4.331 1.00 0.00 C ATOM 845 CG ASN A 60 -0.667 -18.006 3.099 1.00 0.00 C ATOM 846 OD1 ASN A 60 -0.220 -17.496 1.984 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 -0.963 -19.183 3.153 1.00 0.00 N flip ATOM 0 H ASN A 60 -0.109 -15.322 6.278 1.00 0.00 H new ATOM 0 HA ASN A 60 1.116 -16.362 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.699 -17.700 5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.809 -16.669 4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.312 -19.582 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.862 -19.773 2.327 1.00 0.00 H new ATOM 854 N LEU A 61 0.470 -13.754 3.425 1.00 0.00 N ATOM 855 CA LEU A 61 -0.027 -12.509 2.775 1.00 0.00 C ATOM 856 C LEU A 61 -0.517 -12.817 1.358 1.00 0.00 C ATOM 857 O LEU A 61 0.175 -13.428 0.568 1.00 0.00 O ATOM 858 CB LEU A 61 1.109 -11.487 2.708 1.00 0.00 C ATOM 859 CG LEU A 61 0.638 -10.249 1.944 1.00 0.00 C ATOM 860 CD1 LEU A 61 0.932 -8.996 2.772 1.00 0.00 C ATOM 861 CD2 LEU A 61 1.381 -10.167 0.610 1.00 0.00 C ATOM 0 H LEU A 61 1.451 -13.735 3.702 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.854 -12.106 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.422 -11.209 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.977 -11.924 2.214 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.434 -10.317 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.596 -8.113 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.405 -9.057 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.004 -8.924 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.048 -9.286 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.453 -10.096 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.172 -11.060 0.022 1.00 0.00 H new ATOM 873 N ASN A 62 -1.707 -12.392 1.033 1.00 0.00 N ATOM 874 CA ASN A 62 -2.250 -12.648 -0.332 1.00 0.00 C ATOM 875 C ASN A 62 -1.717 -11.587 -1.299 1.00 0.00 C ATOM 876 O ASN A 62 -1.925 -10.399 -1.120 1.00 0.00 O ATOM 877 CB ASN A 62 -3.779 -12.587 -0.294 1.00 0.00 C ATOM 878 CG ASN A 62 -4.356 -13.926 -0.758 1.00 0.00 C ATOM 879 OD1 ASN A 62 -3.621 -14.838 -1.079 1.00 0.00 O ATOM 880 ND2 ASN A 62 -5.650 -14.085 -0.805 1.00 0.00 N ATOM 0 H ASN A 62 -2.329 -11.877 1.656 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.937 -13.636 -0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.119 -12.363 0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.137 -11.783 -0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.044 -14.975 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.268 -13.320 -0.536 1.00 0.00 H new ATOM 887 N LEU A 63 -1.042 -12.010 -2.333 1.00 0.00 N ATOM 888 CA LEU A 63 -0.501 -11.036 -3.321 1.00 0.00 C ATOM 889 C LEU A 63 -1.604 -10.673 -4.305 1.00 0.00 C ATOM 890 O LEU A 63 -1.398 -9.945 -5.251 1.00 0.00 O ATOM 891 CB LEU A 63 0.674 -11.665 -4.074 1.00 0.00 C ATOM 892 CG LEU A 63 1.926 -11.629 -3.197 1.00 0.00 C ATOM 893 CD1 LEU A 63 2.190 -10.194 -2.739 1.00 0.00 C ATOM 894 CD2 LEU A 63 1.718 -12.524 -1.975 1.00 0.00 C ATOM 0 H LEU A 63 -0.842 -12.989 -2.536 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.154 -10.140 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.437 -12.694 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.854 -11.125 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 63 2.780 -11.989 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.083 -10.170 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.339 -9.556 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.336 -9.832 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.610 -12.499 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.863 -12.165 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.532 -13.547 -2.301 1.00 0.00 H new ATOM 906 N ASN A 64 -2.779 -11.171 -4.070 1.00 0.00 N ATOM 907 CA ASN A 64 -3.921 -10.868 -4.947 1.00 0.00 C ATOM 908 C ASN A 64 -4.635 -9.672 -4.341 1.00 0.00 C ATOM 909 O ASN A 64 -4.843 -8.657 -4.976 1.00 0.00 O ATOM 910 CB ASN A 64 -4.841 -12.074 -4.936 1.00 0.00 C ATOM 911 CG ASN A 64 -4.006 -13.351 -4.972 1.00 0.00 C ATOM 912 OD1 ASN A 64 -3.507 -13.806 -3.855 1.00 0.00 O flip ATOM 913 ND2 ASN A 64 -3.807 -13.938 -6.017 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.995 -11.789 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.614 -10.650 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.466 -12.060 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.512 -12.041 -5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.199 -13.578 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.248 -14.791 -6.024 1.00 0.00 H new ATOM 920 N ASN A 65 -4.973 -9.781 -3.086 1.00 0.00 N ATOM 921 CA ASN A 65 -5.628 -8.651 -2.392 1.00 0.00 C ATOM 922 C ASN A 65 -4.599 -7.541 -2.279 1.00 0.00 C ATOM 923 O ASN A 65 -4.893 -6.375 -2.455 1.00 0.00 O ATOM 924 CB ASN A 65 -6.046 -9.084 -0.990 1.00 0.00 C ATOM 925 CG ASN A 65 -7.367 -9.848 -1.058 1.00 0.00 C ATOM 926 OD1 ASN A 65 -7.395 -11.095 -0.684 1.00 0.00 O flip ATOM 927 ND2 ASN A 65 -8.380 -9.307 -1.456 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.820 -10.611 -2.513 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.511 -8.321 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.273 -9.713 -0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.153 -8.211 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.355 -8.330 -1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.255 -9.830 -1.498 1.00 0.00 H new ATOM 934 N ALA A 66 -3.378 -7.908 -1.995 1.00 0.00 N ATOM 935 CA ALA A 66 -2.306 -6.880 -1.881 1.00 0.00 C ATOM 936 C ALA A 66 -1.908 -6.403 -3.283 1.00 0.00 C ATOM 937 O ALA A 66 -1.040 -5.567 -3.441 1.00 0.00 O ATOM 938 CB ALA A 66 -1.089 -7.488 -1.181 1.00 0.00 C ATOM 0 H ALA A 66 -3.079 -8.870 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.672 -6.034 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.304 -6.736 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.374 -7.828 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.721 -8.334 -1.761 1.00 0.00 H new ATOM 944 N ALA A 67 -2.536 -6.929 -4.302 1.00 0.00 N ATOM 945 CA ALA A 67 -2.196 -6.509 -5.692 1.00 0.00 C ATOM 946 C ALA A 67 -3.438 -5.937 -6.381 1.00 0.00 C ATOM 947 O ALA A 67 -3.382 -5.497 -7.511 1.00 0.00 O ATOM 948 CB ALA A 67 -1.710 -7.726 -6.481 1.00 0.00 C ATOM 0 H ALA A 67 -3.271 -7.633 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.416 -5.748 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.460 -7.424 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.826 -8.143 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.497 -8.479 -6.509 1.00 0.00 H new ATOM 954 N SER A 68 -4.561 -5.955 -5.718 1.00 0.00 N ATOM 955 CA SER A 68 -5.805 -5.429 -6.350 1.00 0.00 C ATOM 956 C SER A 68 -6.270 -4.160 -5.633 1.00 0.00 C ATOM 957 O SER A 68 -7.324 -3.632 -5.920 1.00 0.00 O ATOM 958 CB SER A 68 -6.900 -6.490 -6.252 1.00 0.00 C ATOM 959 OG SER A 68 -7.893 -6.233 -7.236 1.00 0.00 O ATOM 0 H SER A 68 -4.672 -6.310 -4.768 1.00 0.00 H new ATOM 0 HA SER A 68 -5.602 -5.191 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.475 -7.483 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.346 -6.478 -5.257 1.00 0.00 H new ATOM 0 HG SER A 68 -8.596 -6.913 -7.177 1.00 0.00 H new ATOM 965 N ILE A 69 -5.502 -3.664 -4.706 1.00 0.00 N ATOM 966 CA ILE A 69 -5.927 -2.427 -3.983 1.00 0.00 C ATOM 967 C ILE A 69 -6.047 -1.253 -4.966 1.00 0.00 C ATOM 968 O ILE A 69 -7.047 -0.557 -4.974 1.00 0.00 O ATOM 969 CB ILE A 69 -4.917 -2.058 -2.884 1.00 0.00 C ATOM 970 CG1 ILE A 69 -4.169 -3.302 -2.399 1.00 0.00 C ATOM 971 CG2 ILE A 69 -5.663 -1.437 -1.703 1.00 0.00 C ATOM 972 CD1 ILE A 69 -2.787 -3.349 -3.052 1.00 0.00 C ATOM 0 H ILE A 69 -4.605 -4.055 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.896 -2.625 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.198 -1.349 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.070 -3.281 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.733 -4.200 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.951 -1.174 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.186 -0.540 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.384 -2.154 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.252 -4.234 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.898 -3.390 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.225 -2.456 -2.778 1.00 0.00 H new ATOM 984 N PRO A 70 -5.020 -1.053 -5.757 1.00 0.00 N ATOM 985 CA PRO A 70 -4.981 0.050 -6.733 1.00 0.00 C ATOM 986 C PRO A 70 -5.849 -0.274 -7.952 1.00 0.00 C ATOM 987 O PRO A 70 -6.711 0.492 -8.334 1.00 0.00 O ATOM 988 CB PRO A 70 -3.502 0.137 -7.117 1.00 0.00 C ATOM 989 CG PRO A 70 -2.884 -1.241 -6.796 1.00 0.00 C ATOM 990 CD PRO A 70 -3.813 -1.909 -5.767 1.00 0.00 C ATOM 0 HA PRO A 70 -5.368 0.988 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.389 0.376 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.001 0.927 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.803 -1.849 -7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.877 -1.130 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.053 -2.933 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.349 -1.954 -4.782 1.00 0.00 H new ATOM 998 N SER A 71 -5.629 -1.402 -8.568 1.00 0.00 N ATOM 999 CA SER A 71 -6.442 -1.767 -9.762 1.00 0.00 C ATOM 1000 C SER A 71 -7.922 -1.825 -9.379 1.00 0.00 C ATOM 1001 O SER A 71 -8.793 -1.612 -10.199 1.00 0.00 O ATOM 1002 CB SER A 71 -5.998 -3.134 -10.284 1.00 0.00 C ATOM 1003 OG SER A 71 -5.609 -3.012 -11.646 1.00 0.00 O ATOM 0 H SER A 71 -4.923 -2.086 -8.297 1.00 0.00 H new ATOM 0 HA SER A 71 -6.298 -1.016 -10.539 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.167 -3.511 -9.689 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.811 -3.854 -10.189 1.00 0.00 H new ATOM 0 HG SER A 71 -5.322 -3.886 -11.984 1.00 0.00 H new ATOM 1009 N LYS A 72 -8.216 -2.118 -8.141 1.00 0.00 N ATOM 1010 CA LYS A 72 -9.642 -2.196 -7.714 1.00 0.00 C ATOM 1011 C LYS A 72 -10.191 -0.789 -7.464 1.00 0.00 C ATOM 1012 O LYS A 72 -11.193 -0.398 -8.029 1.00 0.00 O ATOM 1013 CB LYS A 72 -9.745 -3.013 -6.425 1.00 0.00 C ATOM 1014 CG LYS A 72 -11.194 -3.022 -5.936 1.00 0.00 C ATOM 1015 CD LYS A 72 -11.836 -4.370 -6.266 1.00 0.00 C ATOM 1016 CE LYS A 72 -13.256 -4.145 -6.790 1.00 0.00 C ATOM 1017 NZ LYS A 72 -13.194 -3.590 -8.171 1.00 0.00 N ATOM 0 H LYS A 72 -7.532 -2.306 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.223 -2.675 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.404 -4.033 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.095 -2.587 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.227 -2.845 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.754 -2.215 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.240 -4.895 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.861 -5.000 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.809 -5.085 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.792 -3.459 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.097 -3.764 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.017 -2.566 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.424 -4.051 -8.696 1.00 0.00 H new ATOM 1031 N CYS A 73 -9.557 -0.029 -6.610 1.00 0.00 N ATOM 1032 CA CYS A 73 -10.067 1.343 -6.321 1.00 0.00 C ATOM 1033 C CYS A 73 -9.710 2.297 -7.466 1.00 0.00 C ATOM 1034 O CYS A 73 -10.075 3.455 -7.455 1.00 0.00 O ATOM 1035 CB CYS A 73 -9.457 1.842 -5.016 1.00 0.00 C ATOM 1036 SG CYS A 73 -10.785 2.204 -3.837 1.00 0.00 S ATOM 0 H CYS A 73 -8.713 -0.297 -6.103 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.152 1.309 -6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.784 1.090 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.862 2.737 -5.198 1.00 0.00 H new ATOM 1041 N ASN A 74 -9.018 1.813 -8.460 1.00 0.00 N ATOM 1042 CA ASN A 74 -8.658 2.675 -9.626 1.00 0.00 C ATOM 1043 C ASN A 74 -7.626 3.745 -9.239 1.00 0.00 C ATOM 1044 O ASN A 74 -7.636 4.836 -9.774 1.00 0.00 O ATOM 1045 CB ASN A 74 -9.919 3.357 -10.162 1.00 0.00 C ATOM 1046 CG ASN A 74 -10.377 2.651 -11.440 1.00 0.00 C ATOM 1047 OD1 ASN A 74 -10.271 1.446 -11.552 1.00 0.00 O ATOM 1048 ND2 ASN A 74 -10.885 3.354 -12.415 1.00 0.00 N ATOM 0 H ASN A 74 -8.683 0.851 -8.517 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.216 2.039 -10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.710 3.324 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.718 4.408 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.193 2.892 -13.271 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.974 4.366 -12.322 1.00 0.00 H new ATOM 1055 N VAL A 75 -6.717 3.451 -8.347 1.00 0.00 N ATOM 1056 CA VAL A 75 -5.687 4.473 -7.990 1.00 0.00 C ATOM 1057 C VAL A 75 -4.608 4.457 -9.083 1.00 0.00 C ATOM 1058 O VAL A 75 -4.912 4.518 -10.259 1.00 0.00 O ATOM 1059 CB VAL A 75 -5.064 4.147 -6.624 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -4.299 5.371 -6.093 1.00 0.00 C ATOM 1061 CG2 VAL A 75 -6.169 3.773 -5.634 1.00 0.00 C ATOM 0 H VAL A 75 -6.642 2.560 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.143 5.461 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.374 3.311 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.860 5.133 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.508 5.638 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.986 6.210 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.726 3.542 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.860 4.609 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.709 2.901 -6.004 1.00 0.00 H new ATOM 1071 N ASN A 76 -3.357 4.360 -8.721 1.00 0.00 N ATOM 1072 CA ASN A 76 -2.285 4.324 -9.756 1.00 0.00 C ATOM 1073 C ASN A 76 -0.924 4.122 -9.087 1.00 0.00 C ATOM 1074 O ASN A 76 0.103 4.481 -9.630 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.279 5.638 -10.539 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.517 5.342 -12.019 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -2.004 4.261 -12.541 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -3.173 6.099 -12.707 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.032 4.304 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.477 3.496 -10.439 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.054 6.305 -10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.326 6.150 -10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.573 6.943 -12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.324 5.890 -13.694 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.903 3.548 -7.914 1.00 0.00 N ATOM 1086 CA VAL A 77 0.391 3.321 -7.213 1.00 0.00 C ATOM 1087 C VAL A 77 0.974 1.999 -7.716 1.00 0.00 C ATOM 1088 O VAL A 77 0.235 1.085 -8.028 1.00 0.00 O ATOM 1089 CB VAL A 77 0.140 3.293 -5.689 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -0.240 1.884 -5.222 1.00 0.00 C ATOM 1091 CG2 VAL A 77 1.392 3.766 -4.949 1.00 0.00 C ATOM 0 H VAL A 77 -1.730 3.226 -7.411 1.00 0.00 H new ATOM 0 HA VAL A 77 1.103 4.120 -7.418 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.690 3.963 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.411 1.891 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.149 1.564 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.570 1.193 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.210 3.744 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.227 3.107 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.633 4.784 -5.256 1.00 0.00 H new ATOM 1101 N PRO A 78 2.276 1.932 -7.803 1.00 0.00 N ATOM 1102 CA PRO A 78 2.962 0.734 -8.290 1.00 0.00 C ATOM 1103 C PRO A 78 3.179 -0.202 -7.116 1.00 0.00 C ATOM 1104 O PRO A 78 3.165 -1.410 -7.237 1.00 0.00 O ATOM 1105 CB PRO A 78 4.300 1.277 -8.797 1.00 0.00 C ATOM 1106 CG PRO A 78 4.536 2.621 -8.064 1.00 0.00 C ATOM 1107 CD PRO A 78 3.197 3.025 -7.419 1.00 0.00 C ATOM 0 HA PRO A 78 2.419 0.183 -9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.107 0.575 -8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.275 1.423 -9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.312 2.516 -7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.874 3.387 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.285 3.112 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.850 3.990 -7.789 1.00 0.00 H new ATOM 1115 N TYR A 79 3.399 0.380 -5.979 1.00 0.00 N ATOM 1116 CA TYR A 79 3.645 -0.397 -4.761 1.00 0.00 C ATOM 1117 C TYR A 79 2.375 -0.496 -3.915 1.00 0.00 C ATOM 1118 O TYR A 79 1.435 0.254 -4.073 1.00 0.00 O ATOM 1119 CB TYR A 79 4.737 0.317 -3.974 1.00 0.00 C ATOM 1120 CG TYR A 79 4.259 1.686 -3.575 1.00 0.00 C ATOM 1121 CD1 TYR A 79 3.256 1.816 -2.609 1.00 0.00 C ATOM 1122 CD2 TYR A 79 4.817 2.821 -4.169 1.00 0.00 C ATOM 1123 CE1 TYR A 79 2.808 3.083 -2.233 1.00 0.00 C ATOM 1124 CE2 TYR A 79 4.370 4.097 -3.792 1.00 0.00 C ATOM 1125 CZ TYR A 79 3.366 4.226 -2.822 1.00 0.00 C ATOM 1126 OH TYR A 79 2.923 5.480 -2.450 1.00 0.00 O ATOM 0 H TYR A 79 3.417 1.391 -5.848 1.00 0.00 H new ATOM 0 HA TYR A 79 3.951 -1.411 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.997 -0.261 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.641 0.398 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.828 0.935 -2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.590 2.717 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.032 3.183 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.798 4.977 -4.248 1.00 0.00 H new ATOM 0 HH TYR A 79 3.414 6.163 -2.953 1.00 0.00 H new ATOM 1136 N THR A 80 2.375 -1.412 -2.997 1.00 0.00 N ATOM 1137 CA THR A 80 1.222 -1.605 -2.081 1.00 0.00 C ATOM 1138 C THR A 80 1.754 -2.398 -0.894 1.00 0.00 C ATOM 1139 O THR A 80 2.833 -2.946 -0.970 1.00 0.00 O ATOM 1140 CB THR A 80 0.119 -2.395 -2.791 1.00 0.00 C ATOM 1141 OG1 THR A 80 0.606 -3.687 -3.121 1.00 0.00 O ATOM 1142 CG2 THR A 80 -0.297 -1.662 -4.068 1.00 0.00 C ATOM 0 H THR A 80 3.150 -2.056 -2.837 1.00 0.00 H new ATOM 0 HA THR A 80 0.796 -0.653 -1.765 1.00 0.00 H new ATOM 0 HB THR A 80 -0.745 -2.488 -2.133 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.098 -4.196 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.082 -2.226 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.669 -0.670 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.564 -1.567 -4.730 1.00 0.00 H new ATOM 1150 N ILE A 81 1.051 -2.480 0.200 1.00 0.00 N ATOM 1151 CA ILE A 81 1.620 -3.266 1.327 1.00 0.00 C ATOM 1152 C ILE A 81 1.949 -4.671 0.805 1.00 0.00 C ATOM 1153 O ILE A 81 1.113 -5.551 0.746 1.00 0.00 O ATOM 1154 CB ILE A 81 0.649 -3.322 2.520 1.00 0.00 C ATOM 1155 CG1 ILE A 81 -0.496 -4.293 2.244 1.00 0.00 C ATOM 1156 CG2 ILE A 81 0.072 -1.930 2.782 1.00 0.00 C ATOM 1157 CD1 ILE A 81 -0.216 -5.622 2.944 1.00 0.00 C ATOM 0 H ILE A 81 0.139 -2.053 0.361 1.00 0.00 H new ATOM 0 HA ILE A 81 2.527 -2.785 1.694 1.00 0.00 H new ATOM 0 HB ILE A 81 1.202 -3.668 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.437 -3.873 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.603 -4.450 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.615 -1.974 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.882 -1.237 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.463 -1.586 1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.033 -6.316 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.716 -6.043 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.131 -5.457 4.018 1.00 0.00 H new ATOM 1169 N SER A 82 3.175 -4.873 0.402 1.00 0.00 N ATOM 1170 CA SER A 82 3.585 -6.198 -0.142 1.00 0.00 C ATOM 1171 C SER A 82 5.105 -6.203 -0.356 1.00 0.00 C ATOM 1172 O SER A 82 5.675 -5.203 -0.745 1.00 0.00 O ATOM 1173 CB SER A 82 2.881 -6.435 -1.478 1.00 0.00 C ATOM 1174 OG SER A 82 3.370 -7.635 -2.061 1.00 0.00 O ATOM 0 H SER A 82 3.915 -4.171 0.427 1.00 0.00 H new ATOM 0 HA SER A 82 3.310 -6.987 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.804 -6.503 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.056 -5.594 -2.149 1.00 0.00 H new ATOM 0 HG SER A 82 3.178 -7.634 -3.022 1.00 0.00 H new ATOM 1180 N PRO A 83 5.716 -7.329 -0.090 1.00 0.00 N ATOM 1181 CA PRO A 83 7.171 -7.499 -0.237 1.00 0.00 C ATOM 1182 C PRO A 83 7.525 -7.774 -1.700 1.00 0.00 C ATOM 1183 O PRO A 83 8.647 -8.108 -2.027 1.00 0.00 O ATOM 1184 CB PRO A 83 7.473 -8.727 0.625 1.00 0.00 C ATOM 1185 CG PRO A 83 6.146 -9.518 0.737 1.00 0.00 C ATOM 1186 CD PRO A 83 5.014 -8.535 0.385 1.00 0.00 C ATOM 0 HA PRO A 83 7.740 -6.618 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.253 -9.338 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 83 7.833 -8.431 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.144 -10.370 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.015 -9.914 1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.358 -8.942 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.391 -8.317 1.253 1.00 0.00 H new ATOM 1194 N ASP A 84 6.570 -7.651 -2.580 1.00 0.00 N ATOM 1195 CA ASP A 84 6.841 -7.920 -4.018 1.00 0.00 C ATOM 1196 C ASP A 84 6.907 -6.606 -4.798 1.00 0.00 C ATOM 1197 O ASP A 84 7.393 -6.563 -5.910 1.00 0.00 O ATOM 1198 CB ASP A 84 5.718 -8.789 -4.587 1.00 0.00 C ATOM 1199 CG ASP A 84 6.315 -10.046 -5.222 1.00 0.00 C ATOM 1200 OD1 ASP A 84 6.691 -10.938 -4.481 1.00 0.00 O ATOM 1201 OD2 ASP A 84 6.385 -10.095 -6.439 1.00 0.00 O ATOM 0 H ASP A 84 5.612 -7.375 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 84 7.796 -8.436 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.021 -9.065 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.151 -8.228 -5.330 1.00 0.00 H new ATOM 1206 N ILE A 85 6.418 -5.533 -4.238 1.00 0.00 N ATOM 1207 CA ILE A 85 6.460 -4.241 -4.981 1.00 0.00 C ATOM 1208 C ILE A 85 7.896 -3.726 -5.049 1.00 0.00 C ATOM 1209 O ILE A 85 8.791 -4.253 -4.418 1.00 0.00 O ATOM 1210 CB ILE A 85 5.563 -3.202 -4.301 1.00 0.00 C ATOM 1211 CG1 ILE A 85 6.277 -2.629 -3.050 1.00 0.00 C ATOM 1212 CG2 ILE A 85 4.219 -3.860 -3.959 1.00 0.00 C ATOM 1213 CD1 ILE A 85 5.341 -2.534 -1.836 1.00 0.00 C ATOM 0 H ILE A 85 5.996 -5.494 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 85 6.092 -4.409 -5.993 1.00 0.00 H new ATOM 0 HB ILE A 85 5.369 -2.362 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.129 -3.261 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.671 -1.639 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.570 -3.131 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.745 -4.216 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.386 -4.701 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.888 -2.127 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.502 -1.880 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.968 -3.527 -1.586 1.00 0.00 H new ATOM 1225 N ASP A 86 8.117 -2.702 -5.820 1.00 0.00 N ATOM 1226 CA ASP A 86 9.487 -2.140 -5.952 1.00 0.00 C ATOM 1227 C ASP A 86 9.487 -0.704 -5.433 1.00 0.00 C ATOM 1228 O ASP A 86 8.785 0.148 -5.940 1.00 0.00 O ATOM 1229 CB ASP A 86 9.895 -2.156 -7.427 1.00 0.00 C ATOM 1230 CG ASP A 86 11.420 -2.211 -7.537 1.00 0.00 C ATOM 1231 OD1 ASP A 86 12.050 -1.197 -7.287 1.00 0.00 O ATOM 1232 OD2 ASP A 86 11.932 -3.267 -7.872 1.00 0.00 O ATOM 0 H ASP A 86 7.401 -2.226 -6.369 1.00 0.00 H new ATOM 0 HA ASP A 86 10.194 -2.736 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.453 -3.017 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.516 -1.266 -7.929 1.00 0.00 H new ATOM 1237 N CYS A 87 10.259 -0.427 -4.420 1.00 0.00 N ATOM 1238 CA CYS A 87 10.287 0.955 -3.869 1.00 0.00 C ATOM 1239 C CYS A 87 11.452 1.733 -4.480 1.00 0.00 C ATOM 1240 O CYS A 87 11.494 2.946 -4.432 1.00 0.00 O ATOM 1241 CB CYS A 87 10.443 0.889 -2.350 1.00 0.00 C ATOM 1242 SG CYS A 87 9.054 -0.041 -1.662 1.00 0.00 S ATOM 0 H CYS A 87 10.870 -1.096 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 87 9.356 1.465 -4.115 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.386 0.409 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.470 1.894 -1.929 1.00 0.00 H new ATOM 1247 N SER A 88 12.397 1.050 -5.060 1.00 0.00 N ATOM 1248 CA SER A 88 13.550 1.760 -5.677 1.00 0.00 C ATOM 1249 C SER A 88 13.303 1.922 -7.180 1.00 0.00 C ATOM 1250 O SER A 88 14.067 2.556 -7.880 1.00 0.00 O ATOM 1251 CB SER A 88 14.824 0.958 -5.445 1.00 0.00 C ATOM 1252 OG SER A 88 15.749 1.750 -4.710 1.00 0.00 O ATOM 0 H SER A 88 12.421 0.033 -5.134 1.00 0.00 H new ATOM 0 HA SER A 88 13.659 2.745 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.597 0.042 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.259 0.661 -6.399 1.00 0.00 H new ATOM 0 HG SER A 88 16.570 1.237 -4.557 1.00 0.00 H new ATOM 1258 N ARG A 89 12.237 1.356 -7.678 1.00 0.00 N ATOM 1259 CA ARG A 89 11.935 1.478 -9.131 1.00 0.00 C ATOM 1260 C ARG A 89 10.551 2.105 -9.306 1.00 0.00 C ATOM 1261 O ARG A 89 9.824 1.784 -10.225 1.00 0.00 O ATOM 1262 CB ARG A 89 11.950 0.090 -9.772 1.00 0.00 C ATOM 1263 CG ARG A 89 13.327 -0.549 -9.577 1.00 0.00 C ATOM 1264 CD ARG A 89 14.153 -0.387 -10.854 1.00 0.00 C ATOM 1265 NE ARG A 89 14.759 -1.697 -11.220 1.00 0.00 N ATOM 1266 CZ ARG A 89 13.992 -2.701 -11.542 1.00 0.00 C ATOM 1267 NH1 ARG A 89 13.537 -2.810 -12.760 1.00 0.00 N ATOM 1268 NH2 ARG A 89 13.676 -3.594 -10.644 1.00 0.00 N ATOM 0 H ARG A 89 11.562 0.814 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 89 12.686 2.107 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.180 -0.537 -9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.720 0.166 -10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.841 -0.081 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.218 -1.606 -9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.521 -0.027 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.934 0.358 -10.703 1.00 0.00 H new ATOM 0 HE ARG A 89 15.773 -1.809 -11.219 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.781 -2.110 -13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.937 -3.595 -13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.029 -3.506 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.076 -4.380 -10.895 1.00 0.00 H new ATOM 1282 N ILE A 90 10.183 3.001 -8.431 1.00 0.00 N ATOM 1283 CA ILE A 90 8.848 3.651 -8.547 1.00 0.00 C ATOM 1284 C ILE A 90 8.957 4.854 -9.484 1.00 0.00 C ATOM 1285 O ILE A 90 9.652 5.811 -9.205 1.00 0.00 O ATOM 1286 CB ILE A 90 8.375 4.121 -7.167 1.00 0.00 C ATOM 1287 CG1 ILE A 90 8.741 3.075 -6.110 1.00 0.00 C ATOM 1288 CG2 ILE A 90 6.858 4.306 -7.186 1.00 0.00 C ATOM 1289 CD1 ILE A 90 8.705 3.721 -4.723 1.00 0.00 C ATOM 0 H ILE A 90 10.749 3.310 -7.641 1.00 0.00 H new ATOM 0 HA ILE A 90 8.130 2.935 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 90 8.860 5.067 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 90 8.043 2.239 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.734 2.672 -6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.520 4.640 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.592 5.052 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.379 3.358 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 90 8.965 2.978 -3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.421 4.542 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.703 4.103 -4.525 1.00 0.00 H new ATOM 1301 N TYR A 91 8.279 4.811 -10.597 1.00 0.00 N ATOM 1302 CA TYR A 91 8.347 5.949 -11.554 1.00 0.00 C ATOM 1303 C TYR A 91 7.141 6.866 -11.343 1.00 0.00 C ATOM 1304 O TYR A 91 6.157 6.688 -12.041 1.00 0.00 O ATOM 1305 CB TYR A 91 8.337 5.410 -12.985 1.00 0.00 C ATOM 1306 CG TYR A 91 9.532 4.508 -13.194 1.00 0.00 C ATOM 1307 CD1 TYR A 91 9.439 3.141 -12.903 1.00 0.00 C ATOM 1308 CD2 TYR A 91 10.732 5.039 -13.681 1.00 0.00 C ATOM 1309 CE1 TYR A 91 10.547 2.306 -13.099 1.00 0.00 C ATOM 1310 CE2 TYR A 91 11.839 4.205 -13.877 1.00 0.00 C ATOM 1311 CZ TYR A 91 11.747 2.839 -13.586 1.00 0.00 C ATOM 1312 OH TYR A 91 12.838 2.016 -13.780 1.00 0.00 O ATOM 1313 OXT TYR A 91 7.221 7.730 -10.485 1.00 0.00 O ATOM 0 H TYR A 91 7.681 4.037 -10.885 1.00 0.00 H new ATOM 0 HA TYR A 91 9.264 6.514 -11.385 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.415 4.859 -13.170 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.363 6.236 -13.696 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.513 2.731 -12.528 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.804 6.093 -13.906 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.476 1.252 -12.875 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.764 4.616 -14.253 1.00 0.00 H new ATOM 0 HH TYR A 91 13.589 2.544 -14.123 1.00 0.00 H new