USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1045 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 51 SER OG : rot -142:sc= 0.137 USER MOD Set 1.2: A 84 THR OG1 : rot 179:sc= -4.58! USER MOD Set 2.1: A 50 ASN : amide:sc= -6.48! C(o=-5.5!,f=-8.3!) USER MOD Set 2.2: A 94 TYR OH : rot -81:sc= 0.947 USER MOD Set 3.1: A 47 TYR OH : rot -132:sc= -1.35! USER MOD Set 3.2: A 79 HIS : no HD1:sc= -0.714 X(o=-2.1,f=-2) USER MOD Set 4.1: A 17 GLN : amide:sc= -1.37 K(o=-6.9,f=-12!) USER MOD Set 4.2: A 117 HIS :FLIP no HE2:sc= -5.54! C(o=-9.7!,f=-6.9!) USER MOD Set 4.3: A 146 GLN :FLIP amide:sc= -0.0219 F(o=-8.4,f=-6.9) USER MOD Set 5.1: A 16 MET CE :methyl -109:sc= -8.07! (180deg=-4.3!) USER MOD Set 5.2: A 111 SER OG : rot -141:sc= -10.3! USER MOD Set 5.3: A 144 THR OG1 : rot -20:sc= -5.21! USER MOD Single : A 3 HIS :FLIP no HD1:sc= -3.68 F(o=-6.6!,f=-3.7) USER MOD Single : A 6 THR OG1 : rot 150:sc= 0.0374 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 4:sc= -4.14! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 22 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.76) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 27 MET CE :methyl -169:sc= -2.89! (180deg=-3.71) USER MOD Single : A 30 THR OG1 : rot 120:sc= -5.77! USER MOD Single : A 34 ASN : amide:sc= 0.959 K(o=0.96,f=-0.34) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.5!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 178:sc= -0.9! USER MOD Single : A 52 ASN : amide:sc= -1.94 K(o=-1.9,f=-4.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -4.72! C(o=-4.7!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.23 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 176:sc= 0.0184 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 83 SER OG : rot -110:sc= -0.335 USER MOD Single : A 85 THR OG1 : rot 86:sc= -1.07 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.0071) USER MOD Single : A 88 TYR OH : rot 81:sc= 0.102 USER MOD Single : A 90 GLN : amide:sc= -0.348 K(o=-0.35,f=-3!) USER MOD Single : A 92 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= 0.0468 (180deg=-1.16) USER MOD Single : A 95 SER OG : rot 39:sc= 0.905 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0828 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 106 THR OG1 : rot -85:sc= -8.4! USER MOD Single : A 110 ASN : amide:sc= -1.04! C(o=-1!,f=-2.6!) USER MOD Single : A 112 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.8!) USER MOD Single : A 122 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 123 ASN : amide:sc= -5.03! C(o=-5!,f=-7.2!) USER MOD Single : A 124 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3!) USER MOD Single : A 125 HIS : no HE2:sc= -0.438 K(o=-0.44,f=-1.3) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 92:sc= 1.26 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 132 SER OG : rot -60:sc= -0.145 USER MOD Single : A 138 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.21) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 160:sc= 0.0462 USER MOD Single : A 147 ASN : amide:sc= -2.56! C(o=-2.6!,f=-3.6!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.035) USER MOD Single : A 153 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 7.815 -2.225 18.479 1.00 0.00 N ATOM 32 CA HIS A 3 6.777 -2.943 17.748 1.00 0.00 C ATOM 33 C HIS A 3 5.389 -2.482 18.182 1.00 0.00 C ATOM 34 O HIS A 3 5.253 -1.590 19.019 1.00 0.00 O ATOM 35 CB HIS A 3 6.918 -4.450 17.966 1.00 0.00 C ATOM 36 CG HIS A 3 6.343 -4.923 19.265 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.057 -5.064 19.666 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.120 -5.320 20.333 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 5.082 -5.536 20.954 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 6.337 -5.683 21.334 1.00 0.00 N flip ATOM 0 HA HIS A 3 6.898 -2.725 16.687 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.426 -4.975 17.147 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.974 -4.717 17.927 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.200 -5.332 20.349 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.214 -5.752 21.559 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.650 -6.019 22.245 1.00 0.00 H new ATOM 49 N CYS A 4 4.362 -3.099 17.607 1.00 0.00 N ATOM 50 CA CYS A 4 2.983 -2.754 17.934 1.00 0.00 C ATOM 51 C CYS A 4 2.089 -3.987 17.886 1.00 0.00 C ATOM 52 O CYS A 4 2.040 -4.691 16.877 1.00 0.00 O ATOM 53 CB CYS A 4 2.458 -1.691 16.966 1.00 0.00 C ATOM 54 SG CYS A 4 3.505 -0.203 16.858 1.00 0.00 S ATOM 0 H CYS A 4 4.458 -3.840 16.913 1.00 0.00 H new ATOM 0 HA CYS A 4 2.965 -2.353 18.947 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.368 -2.132 15.973 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.456 -1.396 17.276 1.00 0.00 H new ATOM 59 N VAL A 5 1.382 -4.244 18.983 1.00 0.00 N ATOM 60 CA VAL A 5 0.489 -5.395 19.065 1.00 0.00 C ATOM 61 C VAL A 5 -0.933 -5.016 18.668 1.00 0.00 C ATOM 62 O VAL A 5 -1.652 -4.373 19.434 1.00 0.00 O ATOM 63 CB VAL A 5 0.473 -5.995 20.483 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.318 -7.508 20.419 1.00 0.00 C ATOM 65 CG2 VAL A 5 1.733 -5.613 21.243 1.00 0.00 C ATOM 0 H VAL A 5 1.410 -3.671 19.826 1.00 0.00 H new ATOM 0 HA VAL A 5 0.871 -6.142 18.369 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.382 -5.585 21.020 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.309 -7.916 21.430 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.618 -7.757 19.919 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.152 -7.936 19.863 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.701 -6.047 22.242 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.607 -5.990 20.711 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.796 -4.528 21.321 1.00 0.00 H new ATOM 75 N THR A 6 -1.334 -5.417 17.466 1.00 0.00 N ATOM 76 CA THR A 6 -2.672 -5.120 16.969 1.00 0.00 C ATOM 77 C THR A 6 -3.406 -6.395 16.569 1.00 0.00 C ATOM 78 O THR A 6 -2.854 -7.493 16.649 1.00 0.00 O ATOM 79 CB THR A 6 -2.624 -4.168 15.758 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.903 -3.553 15.567 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.222 -4.913 14.494 1.00 0.00 C ATOM 0 H THR A 6 -0.752 -5.948 16.819 1.00 0.00 H new ATOM 0 HA THR A 6 -3.210 -4.634 17.783 1.00 0.00 H new ATOM 0 HB THR A 6 -1.877 -3.401 15.960 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.783 -2.664 15.173 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.196 -4.218 13.655 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.235 -5.355 14.630 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.947 -5.701 14.290 1.00 0.00 H new ATOM 89 N ASP A 7 -4.655 -6.243 16.140 1.00 0.00 N ATOM 90 CA ASP A 7 -5.467 -7.382 15.728 1.00 0.00 C ATOM 91 C ASP A 7 -5.774 -8.293 16.913 1.00 0.00 C ATOM 92 O ASP A 7 -6.314 -9.386 16.745 1.00 0.00 O ATOM 93 CB ASP A 7 -4.750 -8.176 14.634 1.00 0.00 C ATOM 94 CG ASP A 7 -4.759 -7.458 13.299 1.00 0.00 C ATOM 95 OD1 ASP A 7 -4.859 -6.213 13.294 1.00 0.00 O ATOM 96 OD2 ASP A 7 -4.666 -8.140 12.257 1.00 0.00 O ATOM 0 H ASP A 7 -5.127 -5.341 16.069 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.409 -6.999 15.335 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.719 -8.359 14.938 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.228 -9.150 14.523 1.00 0.00 H new ATOM 101 N SER A 8 -5.428 -7.835 18.113 1.00 0.00 N ATOM 102 CA SER A 8 -5.671 -8.608 19.324 1.00 0.00 C ATOM 103 C SER A 8 -4.699 -9.780 19.429 1.00 0.00 C ATOM 104 O SER A 8 -4.993 -10.786 20.074 1.00 0.00 O ATOM 105 CB SER A 8 -7.111 -9.123 19.347 1.00 0.00 C ATOM 106 OG SER A 8 -7.713 -8.901 20.610 1.00 0.00 O ATOM 0 H SER A 8 -4.979 -6.933 18.271 1.00 0.00 H new ATOM 0 HA SER A 8 -5.513 -7.951 20.179 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.691 -8.623 18.571 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.123 -10.188 19.117 1.00 0.00 H new ATOM 0 HG SER A 8 -8.633 -9.238 20.598 1.00 0.00 H new ATOM 112 N GLY A 9 -3.541 -9.643 18.791 1.00 0.00 N ATOM 113 CA GLY A 9 -2.547 -10.700 18.830 1.00 0.00 C ATOM 114 C GLY A 9 -1.548 -10.610 17.691 1.00 0.00 C ATOM 115 O GLY A 9 -0.458 -11.176 17.769 1.00 0.00 O ATOM 0 H GLY A 9 -3.274 -8.821 18.249 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.013 -10.656 19.779 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.049 -11.667 18.791 1.00 0.00 H new ATOM 119 N VAL A 10 -1.920 -9.899 16.632 1.00 0.00 N ATOM 120 CA VAL A 10 -1.046 -9.741 15.476 1.00 0.00 C ATOM 121 C VAL A 10 -0.193 -8.485 15.598 1.00 0.00 C ATOM 122 O VAL A 10 -0.584 -7.409 15.146 1.00 0.00 O ATOM 123 CB VAL A 10 -1.851 -9.675 14.165 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.999 -10.137 12.991 1.00 0.00 C ATOM 125 CG2 VAL A 10 -3.120 -10.508 14.273 1.00 0.00 C ATOM 0 H VAL A 10 -2.819 -9.424 16.550 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.397 -10.617 15.451 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.139 -8.639 13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.585 -10.084 12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.124 -9.494 12.901 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.678 -11.165 13.157 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.675 -10.449 13.337 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.857 -11.547 14.474 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.738 -10.126 15.086 1.00 0.00 H new ATOM 135 N VAL A 11 0.976 -8.632 16.210 1.00 0.00 N ATOM 136 CA VAL A 11 1.890 -7.512 16.392 1.00 0.00 C ATOM 137 C VAL A 11 2.663 -7.223 15.109 1.00 0.00 C ATOM 138 O VAL A 11 2.737 -8.065 14.213 1.00 0.00 O ATOM 139 CB VAL A 11 2.882 -7.782 17.541 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.357 -9.227 17.502 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.060 -6.820 17.485 1.00 0.00 C ATOM 0 H VAL A 11 1.313 -9.517 16.589 1.00 0.00 H new ATOM 0 HA VAL A 11 1.286 -6.641 16.647 1.00 0.00 H new ATOM 0 HB VAL A 11 2.364 -7.615 18.486 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.057 -9.402 18.319 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.502 -9.894 17.607 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.854 -9.421 16.551 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.743 -7.033 18.307 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.584 -6.941 16.537 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.698 -5.796 17.571 1.00 0.00 H new ATOM 151 N TYR A 12 3.236 -6.027 15.027 1.00 0.00 N ATOM 152 CA TYR A 12 4.002 -5.625 13.853 1.00 0.00 C ATOM 153 C TYR A 12 5.111 -4.650 14.232 1.00 0.00 C ATOM 154 O TYR A 12 4.845 -3.536 14.683 1.00 0.00 O ATOM 155 CB TYR A 12 3.078 -4.988 12.814 1.00 0.00 C ATOM 156 CG TYR A 12 1.991 -5.915 12.323 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.261 -6.891 11.373 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.693 -5.814 12.809 1.00 0.00 C ATOM 159 CE1 TYR A 12 1.270 -7.742 10.920 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.305 -6.661 12.363 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.011 -7.622 11.418 1.00 0.00 C ATOM 162 OH TYR A 12 -1.001 -8.468 10.971 1.00 0.00 O ATOM 0 H TYR A 12 3.184 -5.319 15.760 1.00 0.00 H new ATOM 0 HA TYR A 12 4.461 -6.516 13.425 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.618 -4.099 13.245 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.674 -4.658 11.963 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.263 -6.987 10.981 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.460 -5.061 13.548 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.497 -8.496 10.181 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.308 -6.571 12.752 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.616 -9.125 10.354 1.00 0.00 H new ATOM 172 N SER A 13 6.357 -5.076 14.044 1.00 0.00 N ATOM 173 CA SER A 13 7.508 -4.239 14.365 1.00 0.00 C ATOM 174 C SER A 13 7.417 -2.894 13.653 1.00 0.00 C ATOM 175 O SER A 13 6.492 -2.652 12.878 1.00 0.00 O ATOM 176 CB SER A 13 8.805 -4.949 13.976 1.00 0.00 C ATOM 177 OG SER A 13 9.373 -5.621 15.087 1.00 0.00 O ATOM 0 H SER A 13 6.595 -5.995 13.671 1.00 0.00 H new ATOM 0 HA SER A 13 7.508 -4.061 15.440 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.606 -5.664 13.178 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.517 -4.223 13.584 1.00 0.00 H new ATOM 0 HG SER A 13 10.200 -6.068 14.811 1.00 0.00 H new ATOM 183 N VAL A 14 8.382 -2.024 13.923 1.00 0.00 N ATOM 184 CA VAL A 14 8.415 -0.704 13.314 1.00 0.00 C ATOM 185 C VAL A 14 8.416 -0.799 11.793 1.00 0.00 C ATOM 186 O VAL A 14 8.575 -1.881 11.229 1.00 0.00 O ATOM 187 CB VAL A 14 9.649 0.084 13.779 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.835 -0.070 15.278 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.894 -0.369 13.029 1.00 0.00 C ATOM 0 H VAL A 14 9.154 -2.212 14.562 1.00 0.00 H new ATOM 0 HA VAL A 14 7.515 -0.178 13.632 1.00 0.00 H new ATOM 0 HB VAL A 14 9.490 1.139 13.557 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.713 0.493 15.595 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.954 0.310 15.795 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.972 -1.124 15.521 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.755 0.203 13.375 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.064 -1.430 13.214 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.755 -0.205 11.960 1.00 0.00 H new ATOM 199 N GLY A 15 8.232 0.340 11.133 1.00 0.00 N ATOM 200 CA GLY A 15 8.210 0.356 9.684 1.00 0.00 C ATOM 201 C GLY A 15 7.445 -0.822 9.112 1.00 0.00 C ATOM 202 O GLY A 15 7.716 -1.265 7.997 1.00 0.00 O ATOM 0 H GLY A 15 8.098 1.249 11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.756 1.285 9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.232 0.342 9.306 1.00 0.00 H new ATOM 206 N MET A 16 6.489 -1.330 9.884 1.00 0.00 N ATOM 207 CA MET A 16 5.683 -2.466 9.453 1.00 0.00 C ATOM 208 C MET A 16 4.254 -2.034 9.139 1.00 0.00 C ATOM 209 O MET A 16 3.474 -1.731 10.042 1.00 0.00 O ATOM 210 CB MET A 16 5.673 -3.549 10.534 1.00 0.00 C ATOM 211 CG MET A 16 5.049 -4.859 10.079 1.00 0.00 C ATOM 212 SD MET A 16 5.792 -5.493 8.564 1.00 0.00 S ATOM 213 CE MET A 16 6.714 -6.890 9.201 1.00 0.00 C ATOM 0 H MET A 16 6.254 -0.973 10.810 1.00 0.00 H new ATOM 0 HA MET A 16 6.129 -2.871 8.544 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.697 -3.737 10.857 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.128 -3.179 11.402 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.156 -5.602 10.870 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.980 -4.712 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.781 -6.671 9.160 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.421 -7.079 10.234 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.502 -7.772 8.597 1.00 0.00 H new ATOM 223 N GLN A 17 3.918 -2.009 7.853 1.00 0.00 N ATOM 224 CA GLN A 17 2.582 -1.614 7.422 1.00 0.00 C ATOM 225 C GLN A 17 1.634 -2.809 7.419 1.00 0.00 C ATOM 226 O GLN A 17 2.051 -3.944 7.192 1.00 0.00 O ATOM 227 CB GLN A 17 2.639 -0.990 6.025 1.00 0.00 C ATOM 228 CG GLN A 17 3.884 -0.155 5.782 1.00 0.00 C ATOM 229 CD GLN A 17 4.377 -0.246 4.350 1.00 0.00 C ATOM 230 OE1 GLN A 17 3.881 -1.051 3.562 1.00 0.00 O ATOM 231 NE2 GLN A 17 5.357 0.581 4.007 1.00 0.00 N ATOM 0 H GLN A 17 4.551 -2.257 7.093 1.00 0.00 H new ATOM 0 HA GLN A 17 2.203 -0.876 8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.593 -1.784 5.280 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.758 -0.365 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.671 0.886 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.675 -0.484 6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.738 1.232 4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.729 0.565 3.057 1.00 0.00 H new ATOM 240 N TRP A 18 0.357 -2.543 7.673 1.00 0.00 N ATOM 241 CA TRP A 18 -0.652 -3.597 7.700 1.00 0.00 C ATOM 242 C TRP A 18 -2.055 -3.004 7.781 1.00 0.00 C ATOM 243 O TRP A 18 -2.309 -2.089 8.565 1.00 0.00 O ATOM 244 CB TRP A 18 -0.410 -4.533 8.884 1.00 0.00 C ATOM 245 CG TRP A 18 -0.989 -4.030 10.172 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.260 -4.222 10.629 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.316 -3.251 11.169 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.421 -3.611 11.849 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.241 -3.008 12.201 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.977 -2.735 11.288 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.913 -2.274 13.338 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.302 -2.007 12.417 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.361 -1.783 13.428 1.00 0.00 C ATOM 0 H TRP A 18 -0.004 -1.608 7.863 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.572 -4.167 6.775 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.839 -5.509 8.659 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.663 -4.678 9.009 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.028 -4.774 10.108 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.278 -3.607 12.402 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.709 -2.902 10.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.637 -2.099 14.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.299 -1.604 12.521 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.646 -1.210 14.298 1.00 0.00 H new ATOM 264 N LEU A 19 -2.962 -3.532 6.967 1.00 0.00 N ATOM 265 CA LEU A 19 -4.341 -3.055 6.946 1.00 0.00 C ATOM 266 C LEU A 19 -5.192 -3.807 7.963 1.00 0.00 C ATOM 267 O LEU A 19 -4.925 -4.967 8.275 1.00 0.00 O ATOM 268 CB LEU A 19 -4.937 -3.216 5.546 1.00 0.00 C ATOM 269 CG LEU A 19 -6.426 -2.889 5.436 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.643 -1.687 4.529 1.00 0.00 C ATOM 271 CD2 LEU A 19 -7.201 -4.094 4.922 1.00 0.00 C ATOM 0 H LEU A 19 -2.768 -4.290 6.313 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.338 -1.998 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.388 -2.574 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.781 -4.243 5.217 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.798 -2.640 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.709 -1.469 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.121 -0.823 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.255 -1.907 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.259 -3.842 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.827 -4.374 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.073 -4.930 5.610 1.00 0.00 H new ATOM 283 N LYS A 20 -6.218 -3.138 8.479 1.00 0.00 N ATOM 284 CA LYS A 20 -7.110 -3.742 9.462 1.00 0.00 C ATOM 285 C LYS A 20 -8.562 -3.373 9.178 1.00 0.00 C ATOM 286 O LYS A 20 -8.840 -2.397 8.483 1.00 0.00 O ATOM 287 CB LYS A 20 -6.723 -3.297 10.873 1.00 0.00 C ATOM 288 CG LYS A 20 -5.807 -2.084 10.899 1.00 0.00 C ATOM 289 CD LYS A 20 -6.148 -1.153 12.051 1.00 0.00 C ATOM 290 CE LYS A 20 -6.351 -1.920 13.348 1.00 0.00 C ATOM 291 NZ LYS A 20 -6.841 -1.039 14.444 1.00 0.00 N ATOM 0 H LYS A 20 -6.452 -2.176 8.232 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.010 -4.825 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.629 -3.070 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.231 -4.125 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.771 -2.411 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.890 -1.544 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.348 -0.424 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.053 -0.594 11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.065 -2.727 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.410 -2.382 13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.967 -1.600 15.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.148 -0.283 14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.751 -0.617 14.170 1.00 0.00 H new ATOM 305 N THR A 21 -9.484 -4.162 9.723 1.00 0.00 N ATOM 306 CA THR A 21 -10.908 -3.917 9.528 1.00 0.00 C ATOM 307 C THR A 21 -11.483 -3.087 10.670 1.00 0.00 C ATOM 308 O THR A 21 -11.783 -3.611 11.743 1.00 0.00 O ATOM 309 CB THR A 21 -11.694 -5.237 9.421 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.803 -6.352 9.548 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.432 -5.320 8.094 1.00 0.00 C ATOM 0 H THR A 21 -9.270 -4.974 10.302 1.00 0.00 H new ATOM 0 HA THR A 21 -11.010 -3.365 8.594 1.00 0.00 H new ATOM 0 HB THR A 21 -12.425 -5.265 10.229 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.312 -7.187 9.480 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.980 -6.261 8.041 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.131 -4.488 8.014 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.714 -5.271 7.275 1.00 0.00 H new ATOM 319 N GLN A 22 -11.636 -1.788 10.433 1.00 0.00 N ATOM 320 CA GLN A 22 -12.178 -0.885 11.441 1.00 0.00 C ATOM 321 C GLN A 22 -13.689 -0.745 11.293 1.00 0.00 C ATOM 322 O GLN A 22 -14.221 0.365 11.286 1.00 0.00 O ATOM 323 CB GLN A 22 -11.513 0.489 11.334 1.00 0.00 C ATOM 324 CG GLN A 22 -12.097 1.522 12.283 1.00 0.00 C ATOM 325 CD GLN A 22 -12.521 0.923 13.609 1.00 0.00 C ATOM 326 OE1 GLN A 22 -11.687 0.472 14.395 1.00 0.00 O ATOM 327 NE2 GLN A 22 -13.824 0.914 13.866 1.00 0.00 N ATOM 0 H GLN A 22 -11.392 -1.337 9.551 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.967 -1.309 12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.447 0.384 11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.610 0.852 10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.359 2.304 12.461 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.957 1.997 11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.481 1.298 13.186 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.168 0.523 14.743 1.00 0.00 H new ATOM 336 N GLY A 23 -14.374 -1.878 11.173 1.00 0.00 N ATOM 337 CA GLY A 23 -15.818 -1.859 11.026 1.00 0.00 C ATOM 338 C GLY A 23 -16.283 -2.579 9.776 1.00 0.00 C ATOM 339 O GLY A 23 -16.162 -3.801 9.674 1.00 0.00 O ATOM 0 H GLY A 23 -13.955 -2.808 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.275 -2.323 11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.164 -0.826 10.996 1.00 0.00 H new ATOM 343 N ASN A 24 -16.816 -1.822 8.823 1.00 0.00 N ATOM 344 CA ASN A 24 -17.301 -2.395 7.573 1.00 0.00 C ATOM 345 C ASN A 24 -16.442 -1.942 6.397 1.00 0.00 C ATOM 346 O ASN A 24 -16.925 -1.835 5.269 1.00 0.00 O ATOM 347 CB ASN A 24 -18.759 -1.999 7.338 1.00 0.00 C ATOM 348 CG ASN A 24 -19.652 -2.354 8.511 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.562 -3.449 9.065 1.00 0.00 O ATOM 350 ND2 ASN A 24 -20.521 -1.426 8.897 1.00 0.00 N ATOM 0 H ASN A 24 -16.923 -0.810 8.892 1.00 0.00 H new ATOM 0 HA ASN A 24 -17.235 -3.480 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.816 -0.926 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -19.128 -2.497 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.147 -1.608 9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.562 -0.531 8.409 1.00 0.00 H new ATOM 357 N LYS A 25 -15.169 -1.677 6.668 1.00 0.00 N ATOM 358 CA LYS A 25 -14.243 -1.236 5.631 1.00 0.00 C ATOM 359 C LYS A 25 -12.808 -1.611 5.988 1.00 0.00 C ATOM 360 O LYS A 25 -12.566 -2.333 6.955 1.00 0.00 O ATOM 361 CB LYS A 25 -14.352 0.277 5.432 1.00 0.00 C ATOM 362 CG LYS A 25 -15.406 0.682 4.414 1.00 0.00 C ATOM 363 CD LYS A 25 -14.773 1.256 3.156 1.00 0.00 C ATOM 364 CE LYS A 25 -15.818 1.858 2.231 1.00 0.00 C ATOM 365 NZ LYS A 25 -16.215 3.228 2.659 1.00 0.00 N ATOM 0 H LYS A 25 -14.755 -1.760 7.596 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.510 -1.739 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.584 0.745 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.384 0.664 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.014 -0.184 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -16.075 1.420 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.045 2.020 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.229 0.471 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.425 1.895 1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.698 1.215 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.929 3.604 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.613 3.190 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.380 3.849 2.655 1.00 0.00 H new ATOM 379 N GLN A 26 -11.860 -1.114 5.200 1.00 0.00 N ATOM 380 CA GLN A 26 -10.448 -1.397 5.433 1.00 0.00 C ATOM 381 C GLN A 26 -9.659 -0.106 5.628 1.00 0.00 C ATOM 382 O GLN A 26 -10.050 0.952 5.135 1.00 0.00 O ATOM 383 CB GLN A 26 -9.865 -2.193 4.263 1.00 0.00 C ATOM 384 CG GLN A 26 -10.922 -2.807 3.360 1.00 0.00 C ATOM 385 CD GLN A 26 -10.379 -3.172 1.993 1.00 0.00 C ATOM 386 OE1 GLN A 26 -10.297 -4.349 1.637 1.00 0.00 O ATOM 387 NE2 GLN A 26 -10.004 -2.162 1.216 1.00 0.00 N ATOM 0 H GLN A 26 -12.043 -0.514 4.396 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.368 -1.991 6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.228 -1.537 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.228 -2.986 4.655 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.327 -3.700 3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.748 -2.105 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.089 -1.202 1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.631 -2.346 0.285 1.00 0.00 H new ATOM 396 N MET A 27 -8.547 -0.201 6.349 1.00 0.00 N ATOM 397 CA MET A 27 -7.704 0.959 6.609 1.00 0.00 C ATOM 398 C MET A 27 -6.241 0.549 6.750 1.00 0.00 C ATOM 399 O MET A 27 -5.932 -0.497 7.320 1.00 0.00 O ATOM 400 CB MET A 27 -8.168 1.680 7.877 1.00 0.00 C ATOM 401 CG MET A 27 -7.925 0.887 9.150 1.00 0.00 C ATOM 402 SD MET A 27 -8.489 1.754 10.626 1.00 0.00 S ATOM 403 CE MET A 27 -8.515 3.445 10.037 1.00 0.00 C ATOM 0 H MET A 27 -8.209 -1.070 6.763 1.00 0.00 H new ATOM 0 HA MET A 27 -7.792 1.637 5.760 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.651 2.637 7.951 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.233 1.898 7.792 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.437 -0.073 9.079 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.860 0.674 9.243 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.653 4.122 10.880 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.572 3.672 9.540 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.336 3.572 9.332 1.00 0.00 H new ATOM 413 N LEU A 28 -5.346 1.380 6.226 1.00 0.00 N ATOM 414 CA LEU A 28 -3.916 1.105 6.293 1.00 0.00 C ATOM 415 C LEU A 28 -3.332 1.579 7.619 1.00 0.00 C ATOM 416 O LEU A 28 -3.743 2.606 8.158 1.00 0.00 O ATOM 417 CB LEU A 28 -3.189 1.783 5.131 1.00 0.00 C ATOM 418 CG LEU A 28 -1.841 1.163 4.759 1.00 0.00 C ATOM 419 CD1 LEU A 28 -2.041 -0.216 4.149 1.00 0.00 C ATOM 420 CD2 LEU A 28 -1.084 2.069 3.800 1.00 0.00 C ATOM 0 H LEU A 28 -5.586 2.250 5.750 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.776 0.027 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.836 1.760 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.032 2.832 5.383 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.248 1.054 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.072 -0.643 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.542 -0.863 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.652 -0.131 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.127 1.612 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.671 2.210 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.910 3.035 4.273 1.00 0.00 H new ATOM 432 N CYS A 29 -2.371 0.823 8.141 1.00 0.00 N ATOM 433 CA CYS A 29 -1.730 1.167 9.405 1.00 0.00 C ATOM 434 C CYS A 29 -0.353 0.518 9.511 1.00 0.00 C ATOM 435 O CYS A 29 -0.195 -0.674 9.251 1.00 0.00 O ATOM 436 CB CYS A 29 -2.605 0.726 10.581 1.00 0.00 C ATOM 437 SG CYS A 29 -4.371 1.129 10.385 1.00 0.00 S ATOM 0 H CYS A 29 -2.019 -0.031 7.708 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.606 2.249 9.438 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.501 -0.351 10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.235 1.196 11.492 1.00 0.00 H new ATOM 442 N THR A 30 0.640 1.312 9.897 1.00 0.00 N ATOM 443 CA THR A 30 2.004 0.816 10.038 1.00 0.00 C ATOM 444 C THR A 30 2.574 1.157 11.410 1.00 0.00 C ATOM 445 O THR A 30 2.312 2.230 11.953 1.00 0.00 O ATOM 446 CB THR A 30 2.932 1.400 8.958 1.00 0.00 C ATOM 447 OG1 THR A 30 2.387 1.160 7.655 1.00 0.00 O ATOM 448 CG2 THR A 30 4.323 0.789 9.052 1.00 0.00 C ATOM 0 H THR A 30 0.526 2.301 10.118 1.00 0.00 H new ATOM 0 HA THR A 30 1.956 -0.267 9.921 1.00 0.00 H new ATOM 0 HB THR A 30 3.011 2.474 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.228 2.016 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.961 1.217 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.748 1.002 10.033 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.257 -0.290 8.912 1.00 0.00 H new ATOM 456 N CYS A 31 3.360 0.238 11.962 1.00 0.00 N ATOM 457 CA CYS A 31 3.973 0.446 13.267 1.00 0.00 C ATOM 458 C CYS A 31 5.310 1.164 13.123 1.00 0.00 C ATOM 459 O CYS A 31 6.161 0.756 12.335 1.00 0.00 O ATOM 460 CB CYS A 31 4.172 -0.892 13.982 1.00 0.00 C ATOM 461 SG CYS A 31 4.998 -0.755 15.599 1.00 0.00 S ATOM 0 H CYS A 31 3.586 -0.656 11.526 1.00 0.00 H new ATOM 0 HA CYS A 31 3.305 1.068 13.863 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.200 -1.365 14.121 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.758 -1.551 13.341 1.00 0.00 H new ATOM 466 N LEU A 32 5.485 2.237 13.887 1.00 0.00 N ATOM 467 CA LEU A 32 6.719 3.013 13.839 1.00 0.00 C ATOM 468 C LEU A 32 7.205 3.353 15.244 1.00 0.00 C ATOM 469 O LEU A 32 6.418 3.399 16.189 1.00 0.00 O ATOM 470 CB LEU A 32 6.505 4.296 13.036 1.00 0.00 C ATOM 471 CG LEU A 32 6.180 4.086 11.554 1.00 0.00 C ATOM 472 CD1 LEU A 32 5.059 5.017 11.118 1.00 0.00 C ATOM 473 CD2 LEU A 32 7.420 4.303 10.701 1.00 0.00 C ATOM 0 H LEU A 32 4.790 2.589 14.545 1.00 0.00 H new ATOM 0 HA LEU A 32 7.481 2.407 13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.694 4.862 13.494 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.403 4.908 13.112 1.00 0.00 H new ATOM 0 HG LEU A 32 5.845 3.058 11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.841 4.855 10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.166 4.813 11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.366 6.052 11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.171 4.150 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.785 5.320 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.194 3.595 10.997 1.00 0.00 H new ATOM 485 N GLY A 33 8.505 3.592 15.371 1.00 0.00 N ATOM 486 CA GLY A 33 9.076 3.927 16.662 1.00 0.00 C ATOM 487 C GLY A 33 8.410 3.181 17.802 1.00 0.00 C ATOM 488 O GLY A 33 8.799 2.059 18.129 1.00 0.00 O ATOM 0 H GLY A 33 9.174 3.560 14.602 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.142 3.697 16.655 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.982 5.000 16.830 1.00 0.00 H new ATOM 492 N ASN A 34 7.407 3.805 18.409 1.00 0.00 N ATOM 493 CA ASN A 34 6.687 3.193 19.520 1.00 0.00 C ATOM 494 C ASN A 34 5.181 3.367 19.357 1.00 0.00 C ATOM 495 O ASN A 34 4.434 3.342 20.335 1.00 0.00 O ATOM 496 CB ASN A 34 7.141 3.803 20.847 1.00 0.00 C ATOM 497 CG ASN A 34 7.041 2.824 22.000 1.00 0.00 C ATOM 498 OD1 ASN A 34 8.053 2.372 22.534 1.00 0.00 O ATOM 499 ND2 ASN A 34 5.816 2.489 22.387 1.00 0.00 N ATOM 0 H ASN A 34 7.074 4.734 18.151 1.00 0.00 H new ATOM 0 HA ASN A 34 6.913 2.127 19.521 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.172 4.144 20.753 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.534 4.681 21.066 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.686 1.832 23.156 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.005 2.889 21.915 1.00 0.00 H new ATOM 506 N GLY A 35 4.740 3.543 18.114 1.00 0.00 N ATOM 507 CA GLY A 35 3.324 3.718 17.850 1.00 0.00 C ATOM 508 C GLY A 35 2.964 3.446 16.403 1.00 0.00 C ATOM 509 O GLY A 35 3.790 3.623 15.507 1.00 0.00 O ATOM 0 H GLY A 35 5.337 3.567 17.287 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.753 3.050 18.495 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.033 4.736 18.108 1.00 0.00 H new ATOM 513 N VAL A 36 1.729 3.012 16.174 1.00 0.00 N ATOM 514 CA VAL A 36 1.260 2.714 14.826 1.00 0.00 C ATOM 515 C VAL A 36 0.161 3.682 14.401 1.00 0.00 C ATOM 516 O VAL A 36 -0.807 3.898 15.132 1.00 0.00 O ATOM 517 CB VAL A 36 0.730 1.272 14.722 1.00 0.00 C ATOM 518 CG1 VAL A 36 -0.293 0.997 15.813 1.00 0.00 C ATOM 519 CG2 VAL A 36 0.135 1.017 13.345 1.00 0.00 C ATOM 0 H VAL A 36 1.035 2.859 16.905 1.00 0.00 H new ATOM 0 HA VAL A 36 2.116 2.826 14.160 1.00 0.00 H new ATOM 0 HB VAL A 36 1.567 0.588 14.862 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.655 -0.027 15.722 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.171 1.132 16.790 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.129 1.688 15.710 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.234 -0.007 13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.689 1.709 13.171 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.901 1.167 12.584 1.00 0.00 H new ATOM 529 N SER A 37 0.317 4.262 13.216 1.00 0.00 N ATOM 530 CA SER A 37 -0.663 5.207 12.694 1.00 0.00 C ATOM 531 C SER A 37 -1.589 4.530 11.688 1.00 0.00 C ATOM 532 O SER A 37 -1.178 3.622 10.966 1.00 0.00 O ATOM 533 CB SER A 37 0.043 6.395 12.035 1.00 0.00 C ATOM 534 OG SER A 37 0.449 7.347 13.002 1.00 0.00 O ATOM 0 H SER A 37 1.112 4.094 12.599 1.00 0.00 H new ATOM 0 HA SER A 37 -1.264 5.568 13.529 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.912 6.043 11.479 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.626 6.866 11.315 1.00 0.00 H new ATOM 0 HG SER A 37 0.899 8.095 12.556 1.00 0.00 H new ATOM 540 N CYS A 38 -2.840 4.978 11.647 1.00 0.00 N ATOM 541 CA CYS A 38 -3.824 4.415 10.731 1.00 0.00 C ATOM 542 C CYS A 38 -4.289 5.461 9.721 1.00 0.00 C ATOM 543 O CYS A 38 -4.516 6.618 10.072 1.00 0.00 O ATOM 544 CB CYS A 38 -5.023 3.871 11.508 1.00 0.00 C ATOM 545 SG CYS A 38 -4.824 2.153 12.079 1.00 0.00 S ATOM 0 H CYS A 38 -3.196 5.729 12.238 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.351 3.597 10.188 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.203 4.511 12.372 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.909 3.932 10.876 1.00 0.00 H new ATOM 550 N GLN A 39 -4.427 5.044 8.467 1.00 0.00 N ATOM 551 CA GLN A 39 -4.865 5.944 7.406 1.00 0.00 C ATOM 552 C GLN A 39 -5.924 5.281 6.533 1.00 0.00 C ATOM 553 O GLN A 39 -5.604 4.493 5.642 1.00 0.00 O ATOM 554 CB GLN A 39 -3.673 6.372 6.548 1.00 0.00 C ATOM 555 CG GLN A 39 -3.391 7.865 6.601 1.00 0.00 C ATOM 556 CD GLN A 39 -2.053 8.182 7.239 1.00 0.00 C ATOM 557 OE1 GLN A 39 -1.501 7.374 7.986 1.00 0.00 O ATOM 558 NE2 GLN A 39 -1.524 9.366 6.948 1.00 0.00 N ATOM 0 H GLN A 39 -4.242 4.089 8.160 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.305 6.827 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.786 5.831 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.858 6.082 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.413 8.271 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.183 8.361 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.016 10.005 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.626 9.636 7.349 1.00 0.00 H new ATOM 567 N GLU A 40 -7.187 5.604 6.793 1.00 0.00 N ATOM 568 CA GLU A 40 -8.294 5.040 6.030 1.00 0.00 C ATOM 569 C GLU A 40 -7.954 4.977 4.545 1.00 0.00 C ATOM 570 O GLU A 40 -6.995 5.600 4.090 1.00 0.00 O ATOM 571 CB GLU A 40 -9.561 5.869 6.240 1.00 0.00 C ATOM 572 CG GLU A 40 -10.529 5.260 7.242 1.00 0.00 C ATOM 573 CD GLU A 40 -10.650 6.083 8.509 1.00 0.00 C ATOM 574 OE1 GLU A 40 -9.854 5.856 9.444 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.543 6.953 8.567 1.00 0.00 O ATOM 0 H GLU A 40 -7.469 6.254 7.527 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.469 4.025 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.280 6.866 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.069 5.989 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.512 5.164 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.197 4.254 7.497 1.00 0.00 H new ATOM 636 N GLN A 45 -4.101 11.477 -4.815 1.00 0.00 N ATOM 637 CA GLN A 45 -4.477 12.674 -5.559 1.00 0.00 C ATOM 638 C GLN A 45 -4.516 12.394 -7.057 1.00 0.00 C ATOM 639 O GLN A 45 -3.617 11.757 -7.603 1.00 0.00 O ATOM 640 CB GLN A 45 -3.497 13.811 -5.265 1.00 0.00 C ATOM 641 CG GLN A 45 -4.103 15.195 -5.427 1.00 0.00 C ATOM 642 CD GLN A 45 -3.143 16.302 -5.041 1.00 0.00 C ATOM 643 OE1 GLN A 45 -2.974 16.611 -3.861 1.00 0.00 O ATOM 644 NE2 GLN A 45 -2.506 16.907 -6.037 1.00 0.00 N ATOM 0 HA GLN A 45 -5.475 12.972 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.125 13.704 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.638 13.720 -5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.412 15.333 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.001 15.268 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.676 16.619 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.847 17.660 -5.838 1.00 0.00 H new ATOM 653 N THR A 46 -5.565 12.877 -7.716 1.00 0.00 N ATOM 654 CA THR A 46 -5.722 12.681 -9.153 1.00 0.00 C ATOM 655 C THR A 46 -5.402 13.960 -9.919 1.00 0.00 C ATOM 656 O THR A 46 -6.198 14.898 -9.938 1.00 0.00 O ATOM 657 CB THR A 46 -7.151 12.230 -9.505 1.00 0.00 C ATOM 658 OG1 THR A 46 -8.105 13.018 -8.784 1.00 0.00 O ATOM 659 CG2 THR A 46 -7.351 10.758 -9.175 1.00 0.00 C ATOM 0 H THR A 46 -6.319 13.407 -7.278 1.00 0.00 H new ATOM 0 HA THR A 46 -5.020 11.900 -9.445 1.00 0.00 H new ATOM 0 HB THR A 46 -7.299 12.370 -10.576 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.012 12.750 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.368 10.462 -9.432 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.643 10.158 -9.746 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.185 10.598 -8.110 1.00 0.00 H new ATOM 667 N TYR A 47 -4.233 13.989 -10.550 1.00 0.00 N ATOM 668 CA TYR A 47 -3.809 15.153 -11.318 1.00 0.00 C ATOM 669 C TYR A 47 -3.902 14.882 -12.816 1.00 0.00 C ATOM 670 O TYR A 47 -4.059 13.736 -13.241 1.00 0.00 O ATOM 671 CB TYR A 47 -2.377 15.543 -10.946 1.00 0.00 C ATOM 672 CG TYR A 47 -1.386 14.409 -11.073 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.852 14.063 -12.308 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.984 13.685 -9.957 1.00 0.00 C ATOM 675 CE1 TYR A 47 0.055 13.027 -12.428 1.00 0.00 C ATOM 676 CE2 TYR A 47 -0.076 12.648 -10.069 1.00 0.00 C ATOM 677 CZ TYR A 47 0.439 12.323 -11.306 1.00 0.00 C ATOM 678 OH TYR A 47 1.342 11.292 -11.421 1.00 0.00 O ATOM 0 H TYR A 47 -3.563 13.220 -10.545 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.478 15.979 -11.075 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.057 16.367 -11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.365 15.911 -9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.150 14.612 -13.189 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.387 13.936 -8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.461 12.770 -13.395 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.228 12.096 -9.192 1.00 0.00 H new ATOM 0 HH TYR A 47 1.004 10.506 -10.943 1.00 0.00 H new ATOM 688 N GLY A 48 -3.804 15.942 -13.611 1.00 0.00 N ATOM 689 CA GLY A 48 -3.879 15.798 -15.052 1.00 0.00 C ATOM 690 C GLY A 48 -4.902 14.762 -15.478 1.00 0.00 C ATOM 691 O GLY A 48 -5.779 14.389 -14.700 1.00 0.00 O ATOM 0 H GLY A 48 -3.674 16.899 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.133 16.760 -15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.899 15.517 -15.438 1.00 0.00 H new ATOM 695 N GLY A 49 -4.788 14.298 -16.718 1.00 0.00 N ATOM 696 CA GLY A 49 -5.716 13.303 -17.224 1.00 0.00 C ATOM 697 C GLY A 49 -6.729 13.891 -18.187 1.00 0.00 C ATOM 698 O GLY A 49 -6.563 15.013 -18.666 1.00 0.00 O ATOM 0 H GLY A 49 -4.071 14.592 -17.381 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.158 12.513 -17.726 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.240 12.841 -16.387 1.00 0.00 H new ATOM 702 N ASN A 50 -7.782 13.131 -18.470 1.00 0.00 N ATOM 703 CA ASN A 50 -8.827 13.582 -19.382 1.00 0.00 C ATOM 704 C ASN A 50 -9.897 14.372 -18.633 1.00 0.00 C ATOM 705 O ASN A 50 -11.007 14.559 -19.131 1.00 0.00 O ATOM 706 CB ASN A 50 -9.464 12.386 -20.092 1.00 0.00 C ATOM 707 CG ASN A 50 -8.486 11.660 -20.993 1.00 0.00 C ATOM 708 OD1 ASN A 50 -7.350 12.098 -21.177 1.00 0.00 O ATOM 709 ND2 ASN A 50 -8.923 10.542 -21.561 1.00 0.00 N ATOM 0 H ASN A 50 -7.934 12.200 -18.081 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.370 14.236 -20.125 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.853 11.691 -19.348 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.313 12.728 -20.683 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.309 10.010 -22.178 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.872 10.216 -21.381 1.00 0.00 H new ATOM 716 N SER A 51 -9.554 14.834 -17.435 1.00 0.00 N ATOM 717 CA SER A 51 -10.483 15.604 -16.618 1.00 0.00 C ATOM 718 C SER A 51 -9.754 16.711 -15.863 1.00 0.00 C ATOM 719 O SER A 51 -10.309 17.323 -14.951 1.00 0.00 O ATOM 720 CB SER A 51 -11.206 14.687 -15.629 1.00 0.00 C ATOM 721 OG SER A 51 -11.590 13.471 -16.247 1.00 0.00 O ATOM 0 H SER A 51 -8.639 14.688 -17.009 1.00 0.00 H new ATOM 0 HA SER A 51 -11.217 16.063 -17.281 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.555 14.477 -14.780 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.088 15.193 -15.237 1.00 0.00 H new ATOM 0 HG SER A 51 -12.468 13.196 -15.910 1.00 0.00 H new ATOM 727 N ASN A 52 -8.507 16.963 -16.250 1.00 0.00 N ATOM 728 CA ASN A 52 -7.703 17.997 -15.611 1.00 0.00 C ATOM 729 C ASN A 52 -7.369 17.615 -14.172 1.00 0.00 C ATOM 730 O ASN A 52 -7.422 18.450 -13.269 1.00 0.00 O ATOM 731 CB ASN A 52 -8.445 19.335 -15.636 1.00 0.00 C ATOM 732 CG ASN A 52 -7.689 20.428 -14.907 1.00 0.00 C ATOM 733 OD1 ASN A 52 -6.512 20.276 -14.583 1.00 0.00 O ATOM 734 ND2 ASN A 52 -8.367 21.541 -14.645 1.00 0.00 N ATOM 0 H ASN A 52 -8.032 16.465 -17.003 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.771 18.094 -16.168 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.608 19.638 -16.670 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.428 19.211 -15.181 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.912 22.312 -14.157 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.342 21.624 -14.932 1.00 0.00 H new ATOM 741 N GLY A 53 -7.024 16.348 -13.967 1.00 0.00 N ATOM 742 CA GLY A 53 -6.685 15.878 -12.637 1.00 0.00 C ATOM 743 C GLY A 53 -7.883 15.842 -11.710 1.00 0.00 C ATOM 744 O GLY A 53 -7.849 16.405 -10.617 1.00 0.00 O ATOM 0 H GLY A 53 -6.973 15.639 -14.698 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.254 14.879 -12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.919 16.526 -12.211 1.00 0.00 H new ATOM 748 N GLU A 54 -8.949 15.178 -12.148 1.00 0.00 N ATOM 749 CA GLU A 54 -10.164 15.071 -11.350 1.00 0.00 C ATOM 750 C GLU A 54 -10.260 13.700 -10.686 1.00 0.00 C ATOM 751 O GLU A 54 -9.335 12.893 -10.767 1.00 0.00 O ATOM 752 CB GLU A 54 -11.396 15.321 -12.223 1.00 0.00 C ATOM 753 CG GLU A 54 -12.182 16.560 -11.829 1.00 0.00 C ATOM 754 CD GLU A 54 -12.493 17.454 -13.012 1.00 0.00 C ATOM 755 OE1 GLU A 54 -12.898 16.922 -14.068 1.00 0.00 O ATOM 756 OE2 GLU A 54 -12.333 18.686 -12.885 1.00 0.00 O ATOM 0 H GLU A 54 -8.995 14.706 -13.051 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.125 15.829 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.081 15.417 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.052 14.452 -12.168 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.114 16.258 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.615 17.126 -11.090 1.00 0.00 H new ATOM 763 N PRO A 55 -11.387 13.428 -10.015 1.00 0.00 N ATOM 764 CA PRO A 55 -11.620 12.158 -9.322 1.00 0.00 C ATOM 765 C PRO A 55 -11.870 11.009 -10.293 1.00 0.00 C ATOM 766 O PRO A 55 -12.309 11.223 -11.423 1.00 0.00 O ATOM 767 CB PRO A 55 -12.875 12.428 -8.474 1.00 0.00 C ATOM 768 CG PRO A 55 -13.112 13.902 -8.561 1.00 0.00 C ATOM 769 CD PRO A 55 -12.525 14.337 -9.870 1.00 0.00 C ATOM 0 HA PRO A 55 -10.755 11.854 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.731 11.871 -8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.724 12.116 -7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.177 14.129 -8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.639 14.423 -7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.236 14.233 -10.690 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.212 15.381 -9.849 1.00 0.00 H new ATOM 777 N CYS A 56 -11.589 9.791 -9.844 1.00 0.00 N ATOM 778 CA CYS A 56 -11.784 8.607 -10.674 1.00 0.00 C ATOM 779 C CYS A 56 -13.156 7.990 -10.427 1.00 0.00 C ATOM 780 O CYS A 56 -13.959 8.519 -9.659 1.00 0.00 O ATOM 781 CB CYS A 56 -10.690 7.576 -10.395 1.00 0.00 C ATOM 782 SG CYS A 56 -9.205 8.264 -9.594 1.00 0.00 S ATOM 0 H CYS A 56 -11.226 9.597 -8.911 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.726 8.913 -11.719 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -11.100 6.790 -9.761 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -10.399 7.108 -11.335 1.00 0.00 H new ATOM 787 N VAL A 57 -13.418 6.866 -11.087 1.00 0.00 N ATOM 788 CA VAL A 57 -14.693 6.176 -10.942 1.00 0.00 C ATOM 789 C VAL A 57 -14.541 4.681 -11.203 1.00 0.00 C ATOM 790 O VAL A 57 -14.527 4.239 -12.351 1.00 0.00 O ATOM 791 CB VAL A 57 -15.751 6.748 -11.905 1.00 0.00 C ATOM 792 CG1 VAL A 57 -17.149 6.564 -11.334 1.00 0.00 C ATOM 793 CG2 VAL A 57 -15.471 8.215 -12.195 1.00 0.00 C ATOM 0 H VAL A 57 -12.764 6.415 -11.727 1.00 0.00 H new ATOM 0 HA VAL A 57 -15.023 6.331 -9.915 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.695 6.200 -12.845 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.882 6.974 -12.028 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.344 5.502 -11.185 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -17.223 7.084 -10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.228 8.602 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.497 8.781 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.487 8.314 -12.652 1.00 0.00 H new ATOM 803 N LEU A 58 -14.425 3.907 -10.129 1.00 0.00 N ATOM 804 CA LEU A 58 -14.272 2.461 -10.242 1.00 0.00 C ATOM 805 C LEU A 58 -15.390 1.737 -9.495 1.00 0.00 C ATOM 806 O LEU A 58 -16.257 2.370 -8.894 1.00 0.00 O ATOM 807 CB LEU A 58 -12.911 2.029 -9.695 1.00 0.00 C ATOM 808 CG LEU A 58 -12.021 3.171 -9.198 1.00 0.00 C ATOM 809 CD1 LEU A 58 -11.141 2.702 -8.051 1.00 0.00 C ATOM 810 CD2 LEU A 58 -11.172 3.717 -10.336 1.00 0.00 C ATOM 0 H LEU A 58 -14.434 4.257 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.333 2.193 -11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.071 1.330 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.378 1.487 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.662 3.973 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.516 3.527 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.768 2.359 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.507 1.882 -8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.545 4.528 -9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.540 2.922 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.821 4.092 -11.127 1.00 0.00 H new ATOM 822 N PRO A 59 -15.386 0.393 -9.526 1.00 0.00 N ATOM 823 CA PRO A 59 -14.367 -0.393 -10.234 1.00 0.00 C ATOM 824 C PRO A 59 -14.319 -0.074 -11.724 1.00 0.00 C ATOM 825 O PRO A 59 -15.355 0.071 -12.372 1.00 0.00 O ATOM 826 CB PRO A 59 -14.812 -1.844 -10.018 1.00 0.00 C ATOM 827 CG PRO A 59 -15.695 -1.801 -8.820 1.00 0.00 C ATOM 828 CD PRO A 59 -16.381 -0.466 -8.866 1.00 0.00 C ATOM 0 HA PRO A 59 -13.365 -0.180 -9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.345 -2.227 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.956 -2.499 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.420 -2.614 -8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.116 -1.912 -7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.313 -0.510 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.628 -0.104 -7.868 1.00 0.00 H new ATOM 836 N PHE A 60 -13.109 0.034 -12.260 1.00 0.00 N ATOM 837 CA PHE A 60 -12.923 0.337 -13.674 1.00 0.00 C ATOM 838 C PHE A 60 -12.088 -0.744 -14.356 1.00 0.00 C ATOM 839 O PHE A 60 -10.901 -0.897 -14.069 1.00 0.00 O ATOM 840 CB PHE A 60 -12.249 1.699 -13.842 1.00 0.00 C ATOM 841 CG PHE A 60 -10.755 1.653 -13.700 1.00 0.00 C ATOM 842 CD1 PHE A 60 -10.166 1.608 -12.447 1.00 0.00 C ATOM 843 CD2 PHE A 60 -9.939 1.653 -14.819 1.00 0.00 C ATOM 844 CE1 PHE A 60 -8.791 1.565 -12.312 1.00 0.00 C ATOM 845 CE2 PHE A 60 -8.563 1.611 -14.693 1.00 0.00 C ATOM 846 CZ PHE A 60 -7.988 1.567 -13.437 1.00 0.00 C ATOM 0 H PHE A 60 -12.242 -0.084 -11.737 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.905 0.366 -14.146 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.500 2.100 -14.824 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.655 2.389 -13.102 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.789 1.606 -11.565 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.383 1.686 -15.803 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.345 1.530 -11.329 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.939 1.613 -15.574 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.913 1.534 -13.335 1.00 0.00 H new ATOM 856 N THR A 61 -12.718 -1.489 -15.258 1.00 0.00 N ATOM 857 CA THR A 61 -12.038 -2.554 -15.980 1.00 0.00 C ATOM 858 C THR A 61 -11.206 -1.995 -17.129 1.00 0.00 C ATOM 859 O THR A 61 -11.528 -0.945 -17.686 1.00 0.00 O ATOM 860 CB THR A 61 -13.047 -3.572 -16.540 1.00 0.00 C ATOM 861 OG1 THR A 61 -14.178 -2.887 -17.092 1.00 0.00 O ATOM 862 CG2 THR A 61 -13.512 -4.530 -15.454 1.00 0.00 C ATOM 0 H THR A 61 -13.701 -1.373 -15.506 1.00 0.00 H new ATOM 0 HA THR A 61 -11.378 -3.053 -15.270 1.00 0.00 H new ATOM 0 HB THR A 61 -12.551 -4.147 -17.322 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.815 -3.541 -17.448 1.00 0.00 H new ATOM 0 HG21 THR A 61 -14.224 -5.239 -15.875 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.654 -5.071 -15.054 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.991 -3.967 -14.653 1.00 0.00 H new ATOM 870 N TYR A 62 -10.139 -2.703 -17.483 1.00 0.00 N ATOM 871 CA TYR A 62 -9.266 -2.275 -18.570 1.00 0.00 C ATOM 872 C TYR A 62 -8.411 -3.432 -19.079 1.00 0.00 C ATOM 873 O TYR A 62 -7.792 -4.152 -18.297 1.00 0.00 O ATOM 874 CB TYR A 62 -8.370 -1.119 -18.116 1.00 0.00 C ATOM 875 CG TYR A 62 -7.147 -0.924 -18.981 1.00 0.00 C ATOM 876 CD1 TYR A 62 -6.024 -1.726 -18.822 1.00 0.00 C ATOM 877 CD2 TYR A 62 -7.114 0.063 -19.958 1.00 0.00 C ATOM 878 CE1 TYR A 62 -4.903 -1.548 -19.611 1.00 0.00 C ATOM 879 CE2 TYR A 62 -5.998 0.247 -20.750 1.00 0.00 C ATOM 880 CZ TYR A 62 -4.895 -0.562 -20.574 1.00 0.00 C ATOM 881 OH TYR A 62 -3.782 -0.383 -21.363 1.00 0.00 O ATOM 0 H TYR A 62 -9.858 -3.575 -17.034 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.898 -1.932 -19.389 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.953 -0.198 -18.113 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -8.053 -1.298 -17.089 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.027 -2.501 -18.070 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.976 0.697 -20.101 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.037 -2.179 -19.473 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.989 1.021 -21.504 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.941 0.352 -21.991 1.00 0.00 H new ATOM 891 N ASN A 63 -8.390 -3.607 -20.397 1.00 0.00 N ATOM 892 CA ASN A 63 -7.616 -4.675 -21.024 1.00 0.00 C ATOM 893 C ASN A 63 -8.318 -6.028 -20.884 1.00 0.00 C ATOM 894 O ASN A 63 -7.894 -7.020 -21.476 1.00 0.00 O ATOM 895 CB ASN A 63 -6.199 -4.726 -20.427 1.00 0.00 C ATOM 896 CG ASN A 63 -6.004 -5.831 -19.399 1.00 0.00 C ATOM 897 OD1 ASN A 63 -6.950 -6.263 -18.741 1.00 0.00 O ATOM 898 ND2 ASN A 63 -4.766 -6.292 -19.257 1.00 0.00 N ATOM 0 H ASN A 63 -8.903 -3.020 -21.055 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.537 -4.457 -22.089 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.480 -4.863 -21.234 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.977 -3.766 -19.961 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.572 -7.032 -18.582 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.010 -5.906 -19.823 1.00 0.00 H new ATOM 905 N GLY A 64 -9.383 -6.063 -20.090 1.00 0.00 N ATOM 906 CA GLY A 64 -10.112 -7.297 -19.881 1.00 0.00 C ATOM 907 C GLY A 64 -10.180 -7.672 -18.415 1.00 0.00 C ATOM 908 O GLY A 64 -10.738 -8.708 -18.055 1.00 0.00 O ATOM 0 H GLY A 64 -9.754 -5.256 -19.587 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.122 -7.193 -20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.632 -8.101 -20.439 1.00 0.00 H new ATOM 912 N ARG A 65 -9.605 -6.823 -17.568 1.00 0.00 N ATOM 913 CA ARG A 65 -9.597 -7.066 -16.132 1.00 0.00 C ATOM 914 C ARG A 65 -10.428 -6.009 -15.403 1.00 0.00 C ATOM 915 O ARG A 65 -10.887 -5.041 -16.010 1.00 0.00 O ATOM 916 CB ARG A 65 -8.148 -7.082 -15.615 1.00 0.00 C ATOM 917 CG ARG A 65 -7.863 -6.099 -14.491 1.00 0.00 C ATOM 918 CD ARG A 65 -6.376 -6.017 -14.184 1.00 0.00 C ATOM 919 NE ARG A 65 -5.822 -7.313 -13.805 1.00 0.00 N ATOM 920 CZ ARG A 65 -4.748 -7.458 -13.036 1.00 0.00 C ATOM 921 NH1 ARG A 65 -4.117 -6.391 -12.567 1.00 0.00 N ATOM 922 NH2 ARG A 65 -4.305 -8.671 -12.736 1.00 0.00 N ATOM 0 H ARG A 65 -9.139 -5.961 -17.853 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.048 -8.038 -15.933 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.912 -8.088 -15.268 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.478 -6.866 -16.447 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.233 -5.112 -14.767 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.404 -6.403 -13.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.846 -5.638 -15.058 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.212 -5.303 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.285 -8.154 -14.150 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.456 -5.457 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.293 -6.504 -11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.789 -9.494 -13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.481 -8.781 -12.146 1.00 0.00 H new ATOM 936 N THR A 66 -10.611 -6.201 -14.102 1.00 0.00 N ATOM 937 CA THR A 66 -11.381 -5.265 -13.291 1.00 0.00 C ATOM 938 C THR A 66 -10.522 -4.666 -12.183 1.00 0.00 C ATOM 939 O THR A 66 -10.251 -5.316 -11.173 1.00 0.00 O ATOM 940 CB THR A 66 -12.611 -5.945 -12.662 1.00 0.00 C ATOM 941 OG1 THR A 66 -13.402 -6.568 -13.681 1.00 0.00 O ATOM 942 CG2 THR A 66 -13.458 -4.934 -11.903 1.00 0.00 C ATOM 0 H THR A 66 -10.236 -6.997 -13.586 1.00 0.00 H new ATOM 0 HA THR A 66 -11.718 -4.471 -13.957 1.00 0.00 H new ATOM 0 HB THR A 66 -12.261 -6.703 -11.961 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.181 -6.999 -13.272 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.321 -5.437 -11.467 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.862 -4.483 -11.110 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.798 -4.157 -12.588 1.00 0.00 H new ATOM 950 N PHE A 67 -10.096 -3.422 -12.378 1.00 0.00 N ATOM 951 CA PHE A 67 -9.266 -2.735 -11.395 1.00 0.00 C ATOM 952 C PHE A 67 -10.128 -2.000 -10.375 1.00 0.00 C ATOM 953 O PHE A 67 -11.127 -1.372 -10.730 1.00 0.00 O ATOM 954 CB PHE A 67 -8.324 -1.750 -12.090 1.00 0.00 C ATOM 955 CG PHE A 67 -7.620 -2.330 -13.283 1.00 0.00 C ATOM 956 CD1 PHE A 67 -8.285 -2.487 -14.489 1.00 0.00 C ATOM 957 CD2 PHE A 67 -6.293 -2.718 -13.200 1.00 0.00 C ATOM 958 CE1 PHE A 67 -7.641 -3.019 -15.589 1.00 0.00 C ATOM 959 CE2 PHE A 67 -5.642 -3.252 -14.298 1.00 0.00 C ATOM 960 CZ PHE A 67 -6.317 -3.402 -15.493 1.00 0.00 C ATOM 0 H PHE A 67 -10.312 -2.869 -13.208 1.00 0.00 H new ATOM 0 HA PHE A 67 -8.673 -3.484 -10.870 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.894 -0.876 -12.405 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.580 -1.404 -11.372 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.320 -2.189 -14.570 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.760 -2.602 -12.268 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.171 -3.135 -16.523 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.607 -3.551 -14.220 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.811 -3.818 -16.351 1.00 0.00 H new ATOM 970 N TYR A 68 -9.736 -2.080 -9.108 1.00 0.00 N ATOM 971 CA TYR A 68 -10.473 -1.421 -8.036 1.00 0.00 C ATOM 972 C TYR A 68 -9.709 -0.209 -7.515 1.00 0.00 C ATOM 973 O TYR A 68 -9.825 0.154 -6.344 1.00 0.00 O ATOM 974 CB TYR A 68 -10.739 -2.402 -6.893 1.00 0.00 C ATOM 975 CG TYR A 68 -11.881 -3.356 -7.165 1.00 0.00 C ATOM 976 CD1 TYR A 68 -11.707 -4.460 -7.990 1.00 0.00 C ATOM 977 CD2 TYR A 68 -13.132 -3.152 -6.596 1.00 0.00 C ATOM 978 CE1 TYR A 68 -12.748 -5.334 -8.240 1.00 0.00 C ATOM 979 CE2 TYR A 68 -14.177 -4.021 -6.841 1.00 0.00 C ATOM 980 CZ TYR A 68 -13.980 -5.110 -7.664 1.00 0.00 C ATOM 981 OH TYR A 68 -15.018 -5.978 -7.911 1.00 0.00 O ATOM 0 H TYR A 68 -8.912 -2.595 -8.798 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.426 -1.080 -8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.834 -2.978 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.956 -1.839 -5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.743 -4.638 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.290 -2.300 -5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.597 -6.188 -8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.143 -3.849 -6.391 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.817 -5.678 -7.429 1.00 0.00 H new ATOM 991 N SER A 69 -8.927 0.413 -8.391 1.00 0.00 N ATOM 992 CA SER A 69 -8.142 1.585 -8.019 1.00 0.00 C ATOM 993 C SER A 69 -7.088 1.893 -9.077 1.00 0.00 C ATOM 994 O SER A 69 -6.817 1.073 -9.955 1.00 0.00 O ATOM 995 CB SER A 69 -7.470 1.364 -6.663 1.00 0.00 C ATOM 996 OG SER A 69 -7.893 2.332 -5.719 1.00 0.00 O ATOM 0 H SER A 69 -8.820 0.125 -9.364 1.00 0.00 H new ATOM 0 HA SER A 69 -8.819 2.437 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.706 0.366 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.387 1.413 -6.778 1.00 0.00 H new ATOM 0 HG SER A 69 -7.450 2.167 -4.861 1.00 0.00 H new ATOM 1002 N CYS A 70 -6.498 3.081 -8.990 1.00 0.00 N ATOM 1003 CA CYS A 70 -5.474 3.497 -9.940 1.00 0.00 C ATOM 1004 C CYS A 70 -4.599 2.318 -10.349 1.00 0.00 C ATOM 1005 O CYS A 70 -4.421 1.369 -9.584 1.00 0.00 O ATOM 1006 CB CYS A 70 -4.608 4.605 -9.336 1.00 0.00 C ATOM 1007 SG CYS A 70 -5.502 6.163 -9.028 1.00 0.00 S ATOM 0 H CYS A 70 -6.712 3.772 -8.271 1.00 0.00 H new ATOM 0 HA CYS A 70 -5.974 3.880 -10.830 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.185 4.249 -8.396 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.772 4.805 -10.007 1.00 0.00 H new ATOM 1012 N THR A 71 -4.054 2.383 -11.559 1.00 0.00 N ATOM 1013 CA THR A 71 -3.197 1.320 -12.070 1.00 0.00 C ATOM 1014 C THR A 71 -2.256 1.844 -13.149 1.00 0.00 C ATOM 1015 O THR A 71 -2.556 2.829 -13.824 1.00 0.00 O ATOM 1016 CB THR A 71 -4.026 0.159 -12.648 1.00 0.00 C ATOM 1017 OG1 THR A 71 -3.192 -0.992 -12.837 1.00 0.00 O ATOM 1018 CG2 THR A 71 -4.659 0.553 -13.973 1.00 0.00 C ATOM 0 H THR A 71 -4.191 3.161 -12.204 1.00 0.00 H new ATOM 0 HA THR A 71 -2.611 0.954 -11.227 1.00 0.00 H new ATOM 0 HB THR A 71 -4.820 -0.079 -11.940 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.739 -1.746 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.240 -0.284 -14.362 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.314 1.411 -13.822 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.877 0.815 -14.686 1.00 0.00 H new ATOM 1026 N THR A 72 -1.116 1.179 -13.308 1.00 0.00 N ATOM 1027 CA THR A 72 -0.131 1.577 -14.305 1.00 0.00 C ATOM 1028 C THR A 72 -0.331 0.815 -15.610 1.00 0.00 C ATOM 1029 O THR A 72 0.257 1.156 -16.637 1.00 0.00 O ATOM 1030 CB THR A 72 1.306 1.342 -13.803 1.00 0.00 C ATOM 1031 OG1 THR A 72 1.442 0.001 -13.318 1.00 0.00 O ATOM 1032 CG2 THR A 72 1.659 2.325 -12.696 1.00 0.00 C ATOM 0 H THR A 72 -0.852 0.361 -12.758 1.00 0.00 H new ATOM 0 HA THR A 72 -0.276 2.643 -14.482 1.00 0.00 H new ATOM 0 HB THR A 72 1.990 1.497 -14.638 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.359 -0.141 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.678 2.140 -12.357 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.582 3.344 -13.076 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.970 2.196 -11.861 1.00 0.00 H new ATOM 1040 N GLU A 73 -1.166 -0.218 -15.564 1.00 0.00 N ATOM 1041 CA GLU A 73 -1.443 -1.030 -16.744 1.00 0.00 C ATOM 1042 C GLU A 73 -1.479 -0.167 -18.002 1.00 0.00 C ATOM 1043 O GLU A 73 -2.510 0.418 -18.336 1.00 0.00 O ATOM 1044 CB GLU A 73 -2.774 -1.767 -16.579 1.00 0.00 C ATOM 1045 CG GLU A 73 -2.620 -3.194 -16.081 1.00 0.00 C ATOM 1046 CD GLU A 73 -1.499 -3.939 -16.778 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -1.286 -3.696 -17.985 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -0.833 -4.763 -16.118 1.00 0.00 O ATOM 0 H GLU A 73 -1.662 -0.513 -14.723 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.641 -1.760 -16.849 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.403 -1.213 -15.882 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.294 -1.779 -17.537 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.430 -3.181 -15.008 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.557 -3.730 -16.233 1.00 0.00 H new ATOM 1055 N GLY A 74 -0.347 -0.093 -18.695 1.00 0.00 N ATOM 1056 CA GLY A 74 -0.271 0.701 -19.906 1.00 0.00 C ATOM 1057 C GLY A 74 0.689 1.867 -19.777 1.00 0.00 C ATOM 1058 O GLY A 74 1.424 2.181 -20.712 1.00 0.00 O ATOM 0 H GLY A 74 0.518 -0.569 -18.439 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.044 0.066 -20.734 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.264 1.078 -20.152 1.00 0.00 H new ATOM 1062 N ARG A 75 0.681 2.510 -18.614 1.00 0.00 N ATOM 1063 CA ARG A 75 1.557 3.649 -18.365 1.00 0.00 C ATOM 1064 C ARG A 75 2.991 3.190 -18.124 1.00 0.00 C ATOM 1065 O ARG A 75 3.225 2.142 -17.521 1.00 0.00 O ATOM 1066 CB ARG A 75 1.057 4.451 -17.161 1.00 0.00 C ATOM 1067 CG ARG A 75 -0.283 5.128 -17.396 1.00 0.00 C ATOM 1068 CD ARG A 75 -0.283 5.930 -18.687 1.00 0.00 C ATOM 1069 NE ARG A 75 1.049 6.419 -19.029 1.00 0.00 N ATOM 1070 CZ ARG A 75 1.438 6.686 -20.271 1.00 0.00 C ATOM 1071 NH1 ARG A 75 0.600 6.511 -21.284 1.00 0.00 N ATOM 1072 NH2 ARG A 75 2.667 7.128 -20.501 1.00 0.00 N ATOM 0 H ARG A 75 0.078 2.262 -17.830 1.00 0.00 H new ATOM 0 HA ARG A 75 1.542 4.286 -19.249 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.973 3.786 -16.301 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.798 5.209 -16.907 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.070 4.375 -17.434 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.511 5.786 -16.558 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.660 5.309 -19.499 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.965 6.775 -18.589 1.00 0.00 H new ATOM 0 HE ARG A 75 1.718 6.564 -18.273 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.346 6.171 -21.111 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.901 6.717 -22.237 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.314 7.263 -19.724 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.965 7.333 -21.455 1.00 0.00 H new ATOM 1086 N GLN A 76 3.948 3.979 -18.601 1.00 0.00 N ATOM 1087 CA GLN A 76 5.359 3.654 -18.437 1.00 0.00 C ATOM 1088 C GLN A 76 6.160 4.886 -18.031 1.00 0.00 C ATOM 1089 O GLN A 76 7.228 5.156 -18.582 1.00 0.00 O ATOM 1090 CB GLN A 76 5.924 3.069 -19.734 1.00 0.00 C ATOM 1091 CG GLN A 76 5.527 3.851 -20.976 1.00 0.00 C ATOM 1092 CD GLN A 76 5.983 3.181 -22.256 1.00 0.00 C ATOM 1093 OE1 GLN A 76 6.963 2.436 -22.267 1.00 0.00 O ATOM 1094 NE2 GLN A 76 5.273 3.445 -23.348 1.00 0.00 N ATOM 0 H GLN A 76 3.771 4.848 -19.104 1.00 0.00 H new ATOM 0 HA GLN A 76 5.443 2.911 -17.644 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.011 3.038 -19.666 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.582 2.039 -19.838 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.443 3.967 -20.997 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.954 4.853 -20.922 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.468 4.068 -23.294 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.534 3.024 -24.240 1.00 0.00 H new ATOM 1103 N ASP A 77 5.636 5.635 -17.066 1.00 0.00 N ATOM 1104 CA ASP A 77 6.302 6.840 -16.586 1.00 0.00 C ATOM 1105 C ASP A 77 6.159 6.975 -15.073 1.00 0.00 C ATOM 1106 O ASP A 77 6.404 8.042 -14.509 1.00 0.00 O ATOM 1107 CB ASP A 77 5.723 8.076 -17.277 1.00 0.00 C ATOM 1108 CG ASP A 77 4.280 7.882 -17.696 1.00 0.00 C ATOM 1109 OD1 ASP A 77 3.613 6.987 -17.135 1.00 0.00 O ATOM 1110 OD2 ASP A 77 3.814 8.625 -18.586 1.00 0.00 O ATOM 0 H ASP A 77 4.752 5.428 -16.601 1.00 0.00 H new ATOM 0 HA ASP A 77 7.362 6.760 -16.827 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.791 8.930 -16.604 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.324 8.313 -18.155 1.00 0.00 H new ATOM 1115 N GLY A 78 5.763 5.887 -14.422 1.00 0.00 N ATOM 1116 CA GLY A 78 5.596 5.904 -12.981 1.00 0.00 C ATOM 1117 C GLY A 78 4.205 6.343 -12.564 1.00 0.00 C ATOM 1118 O GLY A 78 3.506 5.619 -11.855 1.00 0.00 O ATOM 0 H GLY A 78 5.555 4.993 -14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.794 4.909 -12.583 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.333 6.576 -12.541 1.00 0.00 H new ATOM 1122 N HIS A 79 3.804 7.531 -13.005 1.00 0.00 N ATOM 1123 CA HIS A 79 2.489 8.064 -12.673 1.00 0.00 C ATOM 1124 C HIS A 79 1.389 7.084 -13.066 1.00 0.00 C ATOM 1125 O HIS A 79 1.392 6.540 -14.170 1.00 0.00 O ATOM 1126 CB HIS A 79 2.267 9.405 -13.376 1.00 0.00 C ATOM 1127 CG HIS A 79 3.400 10.368 -13.201 1.00 0.00 C ATOM 1128 ND1 HIS A 79 3.775 11.275 -14.170 1.00 0.00 N ATOM 1129 CD2 HIS A 79 4.244 10.563 -12.160 1.00 0.00 C ATOM 1130 CE1 HIS A 79 4.800 11.985 -13.733 1.00 0.00 C ATOM 1131 NE2 HIS A 79 5.103 11.573 -12.516 1.00 0.00 N ATOM 0 H HIS A 79 4.371 8.142 -13.593 1.00 0.00 H new ATOM 0 HA HIS A 79 2.448 8.215 -11.594 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.114 9.227 -14.440 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.353 9.859 -12.994 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.242 10.024 -11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.304 12.769 -14.279 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.854 11.945 -11.934 1.00 0.00 H new ATOM 1140 N LEU A 80 0.447 6.862 -12.154 1.00 0.00 N ATOM 1141 CA LEU A 80 -0.660 5.947 -12.405 1.00 0.00 C ATOM 1142 C LEU A 80 -1.816 6.666 -13.093 1.00 0.00 C ATOM 1143 O LEU A 80 -1.733 7.859 -13.382 1.00 0.00 O ATOM 1144 CB LEU A 80 -1.141 5.323 -11.095 1.00 0.00 C ATOM 1145 CG LEU A 80 -0.325 4.122 -10.612 1.00 0.00 C ATOM 1146 CD1 LEU A 80 0.521 4.502 -9.405 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -1.241 2.954 -10.277 1.00 0.00 C ATOM 0 H LEU A 80 0.429 7.304 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.302 5.157 -13.066 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.127 6.088 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.179 5.012 -11.218 1.00 0.00 H new ATOM 0 HG LEU A 80 0.343 3.814 -11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.094 3.636 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.204 5.307 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.129 4.836 -8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.643 2.109 -9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.935 3.250 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.802 2.665 -11.166 1.00 0.00 H new ATOM 1159 N TRP A 81 -2.892 5.931 -13.354 1.00 0.00 N ATOM 1160 CA TRP A 81 -4.066 6.499 -14.007 1.00 0.00 C ATOM 1161 C TRP A 81 -5.328 5.740 -13.612 1.00 0.00 C ATOM 1162 O TRP A 81 -5.352 4.509 -13.617 1.00 0.00 O ATOM 1163 CB TRP A 81 -3.892 6.469 -15.527 1.00 0.00 C ATOM 1164 CG TRP A 81 -3.982 5.091 -16.108 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -2.998 4.144 -16.129 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -5.118 4.504 -16.754 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -3.452 3.005 -16.748 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -4.750 3.201 -17.141 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -6.409 4.954 -17.043 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -5.629 2.344 -17.801 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -7.280 4.102 -17.698 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -6.886 2.810 -18.070 1.00 0.00 C ATOM 0 H TRP A 81 -2.975 4.941 -13.123 1.00 0.00 H new ATOM 0 HA TRP A 81 -4.170 7.534 -13.680 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -4.654 7.099 -15.985 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.925 6.901 -15.783 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.007 4.272 -15.719 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -2.911 2.152 -16.892 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -6.721 5.949 -16.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -5.328 1.348 -18.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -8.281 4.438 -17.926 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.590 2.169 -18.580 1.00 0.00 H new ATOM 1183 N CYS A 82 -6.376 6.481 -13.269 1.00 0.00 N ATOM 1184 CA CYS A 82 -7.642 5.878 -12.870 1.00 0.00 C ATOM 1185 C CYS A 82 -8.785 6.384 -13.745 1.00 0.00 C ATOM 1186 O CYS A 82 -8.895 7.581 -14.009 1.00 0.00 O ATOM 1187 CB CYS A 82 -7.936 6.183 -11.401 1.00 0.00 C ATOM 1188 SG CYS A 82 -7.728 7.936 -10.948 1.00 0.00 S ATOM 0 H CYS A 82 -6.374 7.501 -13.259 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.559 4.799 -13.000 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.958 5.880 -11.176 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.279 5.577 -10.777 1.00 0.00 H new ATOM 1193 N SER A 83 -9.635 5.464 -14.189 1.00 0.00 N ATOM 1194 CA SER A 83 -10.770 5.816 -15.032 1.00 0.00 C ATOM 1195 C SER A 83 -11.722 6.755 -14.298 1.00 0.00 C ATOM 1196 O SER A 83 -12.204 6.441 -13.211 1.00 0.00 O ATOM 1197 CB SER A 83 -11.518 4.555 -15.472 1.00 0.00 C ATOM 1198 OG SER A 83 -12.920 4.736 -15.381 1.00 0.00 O ATOM 0 H SER A 83 -9.559 4.469 -13.979 1.00 0.00 H new ATOM 0 HA SER A 83 -10.389 6.330 -15.914 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.246 4.306 -16.498 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.216 3.713 -14.849 1.00 0.00 H new ATOM 0 HG SER A 83 -13.274 4.188 -14.649 1.00 0.00 H new ATOM 1204 N THR A 84 -11.987 7.910 -14.900 1.00 0.00 N ATOM 1205 CA THR A 84 -12.882 8.895 -14.302 1.00 0.00 C ATOM 1206 C THR A 84 -14.327 8.654 -14.725 1.00 0.00 C ATOM 1207 O THR A 84 -15.063 9.596 -15.021 1.00 0.00 O ATOM 1208 CB THR A 84 -12.477 10.329 -14.691 1.00 0.00 C ATOM 1209 OG1 THR A 84 -12.198 10.397 -16.095 1.00 0.00 O ATOM 1210 CG2 THR A 84 -11.256 10.779 -13.904 1.00 0.00 C ATOM 0 H THR A 84 -11.595 8.187 -15.800 1.00 0.00 H new ATOM 0 HA THR A 84 -12.800 8.782 -13.221 1.00 0.00 H new ATOM 0 HB THR A 84 -13.308 10.994 -14.454 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.964 11.317 -16.338 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.989 11.795 -14.196 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.481 10.755 -12.838 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.421 10.110 -14.113 1.00 0.00 H new ATOM 1218 N THR A 85 -14.727 7.387 -14.749 1.00 0.00 N ATOM 1219 CA THR A 85 -16.084 7.022 -15.136 1.00 0.00 C ATOM 1220 C THR A 85 -16.313 5.522 -14.990 1.00 0.00 C ATOM 1221 O THR A 85 -15.532 4.714 -15.492 1.00 0.00 O ATOM 1222 CB THR A 85 -16.388 7.439 -16.586 1.00 0.00 C ATOM 1223 OG1 THR A 85 -15.202 7.341 -17.383 1.00 0.00 O ATOM 1224 CG2 THR A 85 -16.925 8.861 -16.639 1.00 0.00 C ATOM 0 H THR A 85 -14.131 6.596 -14.505 1.00 0.00 H new ATOM 0 HA THR A 85 -16.757 7.556 -14.466 1.00 0.00 H new ATOM 0 HB THR A 85 -17.148 6.766 -16.983 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.108 6.425 -17.719 1.00 0.00 H new ATOM 0 HG21 THR A 85 -17.132 9.133 -17.674 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.844 8.925 -16.056 1.00 0.00 H new ATOM 0 HG23 THR A 85 -16.184 9.545 -16.225 1.00 0.00 H new ATOM 1232 N SER A 86 -17.389 5.156 -14.300 1.00 0.00 N ATOM 1233 CA SER A 86 -17.721 3.752 -14.089 1.00 0.00 C ATOM 1234 C SER A 86 -17.367 2.918 -15.317 1.00 0.00 C ATOM 1235 O SER A 86 -16.554 1.997 -15.240 1.00 0.00 O ATOM 1236 CB SER A 86 -19.209 3.601 -13.767 1.00 0.00 C ATOM 1237 OG SER A 86 -19.666 2.294 -14.066 1.00 0.00 O ATOM 0 H SER A 86 -18.046 5.813 -13.878 1.00 0.00 H new ATOM 0 HA SER A 86 -17.135 3.389 -13.245 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.380 3.817 -12.712 1.00 0.00 H new ATOM 0 HB3 SER A 86 -19.784 4.330 -14.338 1.00 0.00 H new ATOM 0 HG SER A 86 -20.619 2.223 -13.850 1.00 0.00 H new ATOM 1243 N ASN A 87 -17.983 3.248 -16.447 1.00 0.00 N ATOM 1244 CA ASN A 87 -17.733 2.530 -17.691 1.00 0.00 C ATOM 1245 C ASN A 87 -16.546 3.131 -18.437 1.00 0.00 C ATOM 1246 O ASN A 87 -16.717 3.951 -19.338 1.00 0.00 O ATOM 1247 CB ASN A 87 -18.977 2.560 -18.581 1.00 0.00 C ATOM 1248 CG ASN A 87 -20.113 1.731 -18.014 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -21.241 2.206 -17.889 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -19.820 0.482 -17.669 1.00 0.00 N ATOM 0 H ASN A 87 -18.659 4.008 -16.527 1.00 0.00 H new ATOM 0 HA ASN A 87 -17.497 1.495 -17.443 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -19.309 3.591 -18.703 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -18.720 2.189 -19.573 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -20.544 -0.124 -17.283 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.871 0.129 -17.790 1.00 0.00 H new ATOM 1257 N TYR A 88 -15.342 2.717 -18.055 1.00 0.00 N ATOM 1258 CA TYR A 88 -14.126 3.214 -18.688 1.00 0.00 C ATOM 1259 C TYR A 88 -14.199 3.060 -20.204 1.00 0.00 C ATOM 1260 O TYR A 88 -14.106 4.039 -20.943 1.00 0.00 O ATOM 1261 CB TYR A 88 -12.904 2.471 -18.147 1.00 0.00 C ATOM 1262 CG TYR A 88 -11.644 2.714 -18.946 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -11.008 3.949 -18.920 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -11.090 1.707 -19.728 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -9.857 4.174 -19.649 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -9.938 1.925 -20.459 1.00 0.00 C ATOM 1267 CZ TYR A 88 -9.325 3.160 -20.417 1.00 0.00 C ATOM 1268 OH TYR A 88 -8.179 3.380 -21.145 1.00 0.00 O ATOM 0 H TYR A 88 -15.183 2.039 -17.310 1.00 0.00 H new ATOM 0 HA TYR A 88 -14.032 4.274 -18.453 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.733 2.774 -17.114 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.116 1.402 -18.135 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.421 4.746 -18.320 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.568 0.739 -19.765 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.376 5.140 -19.618 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.519 1.132 -21.061 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.398 3.303 -20.557 1.00 0.00 H new ATOM 1278 N GLU A 89 -14.367 1.823 -20.660 1.00 0.00 N ATOM 1279 CA GLU A 89 -14.451 1.538 -22.087 1.00 0.00 C ATOM 1280 C GLU A 89 -15.544 2.375 -22.744 1.00 0.00 C ATOM 1281 O GLU A 89 -15.560 2.546 -23.964 1.00 0.00 O ATOM 1282 CB GLU A 89 -14.724 0.051 -22.316 1.00 0.00 C ATOM 1283 CG GLU A 89 -14.074 -0.854 -21.282 1.00 0.00 C ATOM 1284 CD GLU A 89 -13.721 -2.219 -21.841 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -13.431 -2.307 -23.053 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -13.733 -3.199 -21.066 1.00 0.00 O ATOM 0 H GLU A 89 -14.448 1.001 -20.061 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.495 1.798 -22.542 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.801 -0.117 -22.308 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.365 -0.227 -23.307 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.171 -0.376 -20.903 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.750 -0.976 -20.435 1.00 0.00 H new ATOM 1293 N GLN A 90 -16.456 2.895 -21.929 1.00 0.00 N ATOM 1294 CA GLN A 90 -17.553 3.714 -22.432 1.00 0.00 C ATOM 1295 C GLN A 90 -17.120 5.168 -22.587 1.00 0.00 C ATOM 1296 O GLN A 90 -17.023 5.682 -23.702 1.00 0.00 O ATOM 1297 CB GLN A 90 -18.756 3.625 -21.490 1.00 0.00 C ATOM 1298 CG GLN A 90 -19.955 4.435 -21.959 1.00 0.00 C ATOM 1299 CD GLN A 90 -21.269 3.717 -21.722 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -21.293 2.566 -21.286 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -22.374 4.396 -22.010 1.00 0.00 N ATOM 0 H GLN A 90 -16.457 2.764 -20.917 1.00 0.00 H new ATOM 0 HA GLN A 90 -17.839 3.333 -23.412 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -19.051 2.581 -21.388 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -18.459 3.971 -20.500 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -19.969 5.392 -21.438 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -19.850 4.652 -23.022 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -22.308 5.348 -22.369 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -23.288 3.965 -21.872 1.00 0.00 H new ATOM 1310 N ASP A 91 -16.859 5.825 -21.462 1.00 0.00 N ATOM 1311 CA ASP A 91 -16.435 7.221 -21.473 1.00 0.00 C ATOM 1312 C ASP A 91 -14.980 7.344 -21.912 1.00 0.00 C ATOM 1313 O ASP A 91 -14.620 8.256 -22.657 1.00 0.00 O ATOM 1314 CB ASP A 91 -16.617 7.842 -20.087 1.00 0.00 C ATOM 1315 CG ASP A 91 -18.067 8.163 -19.782 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -18.553 9.214 -20.249 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -18.715 7.363 -19.075 1.00 0.00 O ATOM 0 H ASP A 91 -16.933 5.414 -20.531 1.00 0.00 H new ATOM 0 HA ASP A 91 -17.058 7.758 -22.188 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.233 7.156 -19.332 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.024 8.754 -20.020 1.00 0.00 H new ATOM 1322 N GLN A 92 -14.146 6.420 -21.447 1.00 0.00 N ATOM 1323 CA GLN A 92 -12.730 6.424 -21.790 1.00 0.00 C ATOM 1324 C GLN A 92 -11.982 7.500 -21.008 1.00 0.00 C ATOM 1325 O GLN A 92 -10.838 7.827 -21.320 1.00 0.00 O ATOM 1326 CB GLN A 92 -12.549 6.652 -23.292 1.00 0.00 C ATOM 1327 CG GLN A 92 -13.596 5.952 -24.144 1.00 0.00 C ATOM 1328 CD GLN A 92 -13.086 4.660 -24.751 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -13.193 4.442 -25.957 1.00 0.00 O ATOM 1330 NE2 GLN A 92 -12.526 3.793 -23.914 1.00 0.00 N ATOM 0 H GLN A 92 -14.428 5.658 -20.831 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.315 5.452 -21.523 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.583 7.722 -23.495 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.560 6.303 -23.587 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.474 5.740 -23.533 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.917 6.622 -24.942 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.458 4.014 -22.921 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.164 2.906 -24.265 1.00 0.00 H new ATOM 1339 N LYS A 93 -12.639 8.046 -19.990 1.00 0.00 N ATOM 1340 CA LYS A 93 -12.037 9.085 -19.162 1.00 0.00 C ATOM 1341 C LYS A 93 -11.075 8.480 -18.145 1.00 0.00 C ATOM 1342 O LYS A 93 -11.152 7.293 -17.832 1.00 0.00 O ATOM 1343 CB LYS A 93 -13.123 9.885 -18.440 1.00 0.00 C ATOM 1344 CG LYS A 93 -14.329 10.195 -19.312 1.00 0.00 C ATOM 1345 CD LYS A 93 -14.291 11.625 -19.828 1.00 0.00 C ATOM 1346 CE LYS A 93 -15.646 12.061 -20.361 1.00 0.00 C ATOM 1347 NZ LYS A 93 -16.139 11.156 -21.435 1.00 0.00 N ATOM 0 H LYS A 93 -13.587 7.787 -19.719 1.00 0.00 H new ATOM 0 HA LYS A 93 -11.476 9.754 -19.814 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -13.452 9.327 -17.564 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.695 10.821 -18.080 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -14.358 9.504 -20.154 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.243 10.038 -18.740 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -13.982 12.294 -19.025 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.544 11.708 -20.618 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.368 12.081 -19.544 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.574 13.077 -20.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.498 11.723 -22.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.359 10.552 -21.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.905 10.559 -21.062 1.00 0.00 H new ATOM 1361 N TYR A 94 -10.168 9.306 -17.632 1.00 0.00 N ATOM 1362 CA TYR A 94 -9.189 8.852 -16.651 1.00 0.00 C ATOM 1363 C TYR A 94 -8.522 10.036 -15.958 1.00 0.00 C ATOM 1364 O TYR A 94 -8.887 11.189 -16.188 1.00 0.00 O ATOM 1365 CB TYR A 94 -8.130 7.977 -17.323 1.00 0.00 C ATOM 1366 CG TYR A 94 -7.422 8.659 -18.472 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -6.667 9.806 -18.265 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -7.510 8.156 -19.764 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -6.019 10.433 -19.313 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -6.866 8.776 -20.817 1.00 0.00 C ATOM 1371 CZ TYR A 94 -6.123 9.914 -20.586 1.00 0.00 C ATOM 1372 OH TYR A 94 -5.479 10.534 -21.633 1.00 0.00 O ATOM 0 H TYR A 94 -10.091 10.293 -17.879 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.713 8.263 -15.899 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.392 7.678 -16.579 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.602 7.065 -17.688 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.585 10.215 -17.269 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.092 7.265 -19.948 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.435 11.324 -19.136 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.944 8.372 -21.815 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.014 11.295 -21.942 1.00 0.00 H new ATOM 1382 N SER A 95 -7.543 9.742 -15.109 1.00 0.00 N ATOM 1383 CA SER A 95 -6.823 10.782 -14.383 1.00 0.00 C ATOM 1384 C SER A 95 -5.537 10.228 -13.777 1.00 0.00 C ATOM 1385 O SER A 95 -5.535 9.156 -13.173 1.00 0.00 O ATOM 1386 CB SER A 95 -7.707 11.370 -13.282 1.00 0.00 C ATOM 1387 OG SER A 95 -8.457 12.470 -13.763 1.00 0.00 O ATOM 0 H SER A 95 -7.230 8.793 -14.907 1.00 0.00 H new ATOM 0 HA SER A 95 -6.562 11.571 -15.089 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.383 10.602 -12.905 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.086 11.688 -12.444 1.00 0.00 H new ATOM 0 HG SER A 95 -8.762 12.284 -14.676 1.00 0.00 H new ATOM 1393 N PHE A 96 -4.444 10.967 -13.943 1.00 0.00 N ATOM 1394 CA PHE A 96 -3.152 10.547 -13.411 1.00 0.00 C ATOM 1395 C PHE A 96 -3.094 10.746 -11.901 1.00 0.00 C ATOM 1396 O PHE A 96 -3.171 11.872 -11.409 1.00 0.00 O ATOM 1397 CB PHE A 96 -2.023 11.329 -14.084 1.00 0.00 C ATOM 1398 CG PHE A 96 -2.315 11.693 -15.511 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -2.999 10.815 -16.336 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -1.908 12.913 -16.025 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -3.270 11.147 -17.650 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -2.177 13.251 -17.337 1.00 0.00 C ATOM 1403 CZ PHE A 96 -2.860 12.367 -18.150 1.00 0.00 C ATOM 0 H PHE A 96 -4.427 11.857 -14.440 1.00 0.00 H new ATOM 0 HA PHE A 96 -3.027 9.485 -13.623 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.834 12.240 -13.516 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -1.109 10.736 -14.048 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -3.324 9.861 -15.948 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -1.374 13.608 -15.393 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.802 10.453 -18.285 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -1.854 14.205 -17.727 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.073 12.630 -19.176 1.00 0.00 H new ATOM 1413 N CYS A 97 -2.955 9.644 -11.171 1.00 0.00 N ATOM 1414 CA CYS A 97 -2.885 9.696 -9.715 1.00 0.00 C ATOM 1415 C CYS A 97 -1.444 9.868 -9.246 1.00 0.00 C ATOM 1416 O CYS A 97 -0.543 10.108 -10.051 1.00 0.00 O ATOM 1417 CB CYS A 97 -3.480 8.424 -9.109 1.00 0.00 C ATOM 1418 SG CYS A 97 -4.572 7.501 -10.238 1.00 0.00 S ATOM 0 H CYS A 97 -2.889 8.705 -11.563 1.00 0.00 H new ATOM 0 HA CYS A 97 -3.464 10.556 -9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.667 7.771 -8.793 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -4.042 8.690 -8.214 1.00 0.00 H new ATOM 1423 N THR A 98 -1.234 9.744 -7.940 1.00 0.00 N ATOM 1424 CA THR A 98 0.098 9.884 -7.365 1.00 0.00 C ATOM 1425 C THR A 98 0.721 8.521 -7.087 1.00 0.00 C ATOM 1426 O THR A 98 0.122 7.678 -6.417 1.00 0.00 O ATOM 1427 CB THR A 98 0.064 10.695 -6.055 1.00 0.00 C ATOM 1428 OG1 THR A 98 0.105 9.810 -4.929 1.00 0.00 O ATOM 1429 CG2 THR A 98 -1.189 11.555 -5.984 1.00 0.00 C ATOM 0 H THR A 98 -1.969 9.547 -7.260 1.00 0.00 H new ATOM 0 HA THR A 98 0.704 10.417 -8.098 1.00 0.00 H new ATOM 0 HB THR A 98 0.936 11.348 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.084 10.333 -4.101 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.191 12.118 -5.051 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.203 12.247 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.071 10.916 -6.024 1.00 0.00 H new ATOM 1481 N VAL A 102 4.479 1.104 -3.592 1.00 0.00 N ATOM 1482 CA VAL A 102 3.825 -0.199 -3.625 1.00 0.00 C ATOM 1483 C VAL A 102 3.242 -0.557 -2.263 1.00 0.00 C ATOM 1484 O VAL A 102 3.543 0.088 -1.259 1.00 0.00 O ATOM 1485 CB VAL A 102 4.803 -1.305 -4.060 1.00 0.00 C ATOM 1486 CG1 VAL A 102 4.071 -2.392 -4.832 1.00 0.00 C ATOM 1487 CG2 VAL A 102 5.936 -0.722 -4.890 1.00 0.00 C ATOM 0 HA VAL A 102 3.018 -0.130 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 102 5.234 -1.754 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.779 -3.165 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.300 -2.831 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.609 -1.960 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.617 -1.520 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.526 -0.243 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.478 0.016 -4.298 1.00 0.00 H new ATOM 1497 N LEU A 103 2.408 -1.591 -2.236 1.00 0.00 N ATOM 1498 CA LEU A 103 1.781 -2.036 -0.997 1.00 0.00 C ATOM 1499 C LEU A 103 1.248 -3.459 -1.137 1.00 0.00 C ATOM 1500 O LEU A 103 0.224 -3.688 -1.779 1.00 0.00 O ATOM 1501 CB LEU A 103 0.644 -1.090 -0.608 1.00 0.00 C ATOM 1502 CG LEU A 103 1.079 0.331 -0.243 1.00 0.00 C ATOM 1503 CD1 LEU A 103 1.180 1.193 -1.492 1.00 0.00 C ATOM 1504 CD2 LEU A 103 0.111 0.945 0.756 1.00 0.00 C ATOM 0 H LEU A 103 2.151 -2.137 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 103 2.538 -2.026 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.062 -1.036 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.109 -1.519 0.239 1.00 0.00 H new ATOM 0 HG LEU A 103 2.064 0.283 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.490 2.200 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.914 0.762 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.208 1.235 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.436 1.955 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.887 0.982 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.089 0.338 1.661 1.00 0.00 H new ATOM 1516 N VAL A 104 1.950 -4.410 -0.529 1.00 0.00 N ATOM 1517 CA VAL A 104 1.545 -5.810 -0.583 1.00 0.00 C ATOM 1518 C VAL A 104 0.990 -6.259 0.762 1.00 0.00 C ATOM 1519 O VAL A 104 1.376 -5.738 1.804 1.00 0.00 O ATOM 1520 CB VAL A 104 2.729 -6.719 -0.988 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.505 -8.164 -0.551 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.957 -6.645 -2.488 1.00 0.00 C ATOM 0 H VAL A 104 2.801 -4.237 0.006 1.00 0.00 H new ATOM 0 HA VAL A 104 0.765 -5.899 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 104 3.620 -6.356 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.358 -8.772 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.397 -8.204 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.600 -8.550 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.793 -7.289 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.059 -6.976 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.183 -5.617 -2.771 1.00 0.00 H new ATOM 1532 N GLN A 105 0.085 -7.232 0.728 1.00 0.00 N ATOM 1533 CA GLN A 105 -0.520 -7.757 1.946 1.00 0.00 C ATOM 1534 C GLN A 105 -0.221 -9.243 2.099 1.00 0.00 C ATOM 1535 O GLN A 105 -0.996 -10.090 1.657 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.033 -7.527 1.929 1.00 0.00 C ATOM 1537 CG GLN A 105 -2.571 -6.921 3.215 1.00 0.00 C ATOM 1538 CD GLN A 105 -2.467 -7.868 4.393 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -2.771 -9.056 4.280 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -2.036 -7.346 5.536 1.00 0.00 N ATOM 0 H GLN A 105 -0.245 -7.673 -0.130 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.090 -7.227 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.283 -6.871 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.535 -8.478 1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.022 -6.007 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.614 -6.639 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.795 -6.356 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.946 -7.935 6.364 1.00 0.00 H new ATOM 1549 N THR A 106 0.908 -9.555 2.728 1.00 0.00 N ATOM 1550 CA THR A 106 1.303 -10.943 2.934 1.00 0.00 C ATOM 1551 C THR A 106 0.903 -11.438 4.318 1.00 0.00 C ATOM 1552 O THR A 106 0.592 -10.647 5.209 1.00 0.00 O ATOM 1553 CB THR A 106 2.822 -11.146 2.761 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.280 -12.153 3.669 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.585 -9.856 3.014 1.00 0.00 C ATOM 0 H THR A 106 1.563 -8.868 3.102 1.00 0.00 H new ATOM 0 HA THR A 106 0.778 -11.519 2.172 1.00 0.00 H new ATOM 0 HB THR A 106 3.005 -11.458 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.470 -11.746 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.653 -10.033 2.884 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.255 -9.094 2.308 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.395 -9.515 4.032 1.00 0.00 H new ATOM 1563 N ARG A 107 0.922 -12.755 4.488 1.00 0.00 N ATOM 1564 CA ARG A 107 0.567 -13.370 5.762 1.00 0.00 C ATOM 1565 C ARG A 107 1.498 -14.538 6.075 1.00 0.00 C ATOM 1566 O ARG A 107 1.989 -15.212 5.169 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.884 -13.851 5.736 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.226 -14.684 4.510 1.00 0.00 C ATOM 1569 CD ARG A 107 -1.010 -16.167 4.767 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.017 -16.990 4.101 1.00 0.00 N ATOM 1571 CZ ARG A 107 -1.933 -18.312 3.994 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -0.892 -18.956 4.506 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -2.888 -18.991 3.374 1.00 0.00 N ATOM 0 H ARG A 107 1.180 -13.419 3.758 1.00 0.00 H new ATOM 0 HA ARG A 107 0.676 -12.619 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.079 -14.441 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.546 -12.986 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.264 -14.510 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.610 -14.366 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.018 -16.455 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.038 -16.357 5.840 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.829 -16.524 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.155 -18.436 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.829 -19.971 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.689 -18.499 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.822 -20.006 3.293 1.00 0.00 H new ATOM 1587 N GLY A 108 1.738 -14.772 7.361 1.00 0.00 N ATOM 1588 CA GLY A 108 2.609 -15.859 7.767 1.00 0.00 C ATOM 1589 C GLY A 108 3.028 -15.758 9.219 1.00 0.00 C ATOM 1590 O GLY A 108 2.386 -15.069 10.011 1.00 0.00 O ATOM 0 H GLY A 108 1.345 -14.228 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.099 -16.808 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.498 -15.863 7.136 1.00 0.00 H new ATOM 1594 N GLY A 109 4.109 -16.447 9.571 1.00 0.00 N ATOM 1595 CA GLY A 109 4.595 -16.419 10.938 1.00 0.00 C ATOM 1596 C GLY A 109 5.697 -15.398 11.142 1.00 0.00 C ATOM 1597 O GLY A 109 5.974 -14.992 12.270 1.00 0.00 O ATOM 0 H GLY A 109 4.657 -17.024 8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.767 -16.194 11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.966 -17.408 11.209 1.00 0.00 H new ATOM 1601 N ASN A 110 6.326 -14.982 10.047 1.00 0.00 N ATOM 1602 CA ASN A 110 7.404 -14.001 10.112 1.00 0.00 C ATOM 1603 C ASN A 110 6.869 -12.592 9.881 1.00 0.00 C ATOM 1604 O ASN A 110 7.510 -11.606 10.243 1.00 0.00 O ATOM 1605 CB ASN A 110 8.480 -14.327 9.075 1.00 0.00 C ATOM 1606 CG ASN A 110 9.846 -13.807 9.478 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.965 -12.741 10.084 1.00 0.00 O ATOM 1608 ND2 ASN A 110 10.888 -14.559 9.142 1.00 0.00 N ATOM 0 H ASN A 110 6.108 -15.308 9.105 1.00 0.00 H new ATOM 0 HA ASN A 110 7.844 -14.045 11.108 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.532 -15.407 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.198 -13.895 8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.832 -14.260 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.744 -15.435 8.640 1.00 0.00 H new ATOM 1615 N SER A 111 5.688 -12.505 9.277 1.00 0.00 N ATOM 1616 CA SER A 111 5.064 -11.218 8.997 1.00 0.00 C ATOM 1617 C SER A 111 3.728 -11.094 9.724 1.00 0.00 C ATOM 1618 O SER A 111 3.278 -9.990 10.031 1.00 0.00 O ATOM 1619 CB SER A 111 4.855 -11.046 7.492 1.00 0.00 C ATOM 1620 OG SER A 111 4.520 -9.707 7.172 1.00 0.00 O ATOM 0 H SER A 111 5.144 -13.312 8.972 1.00 0.00 H new ATOM 0 HA SER A 111 5.729 -10.433 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.762 -11.334 6.961 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.062 -11.713 7.153 1.00 0.00 H new ATOM 0 HG SER A 111 3.840 -9.700 6.466 1.00 0.00 H new ATOM 1626 N ASN A 112 3.100 -12.233 9.997 1.00 0.00 N ATOM 1627 CA ASN A 112 1.817 -12.251 10.688 1.00 0.00 C ATOM 1628 C ASN A 112 0.856 -11.238 10.073 1.00 0.00 C ATOM 1629 O ASN A 112 0.480 -10.257 10.713 1.00 0.00 O ATOM 1630 CB ASN A 112 2.009 -11.952 12.176 1.00 0.00 C ATOM 1631 CG ASN A 112 1.339 -12.982 13.064 1.00 0.00 C ATOM 1632 OD1 ASN A 112 0.437 -13.699 12.631 1.00 0.00 O ATOM 1633 ND2 ASN A 112 1.777 -13.058 14.315 1.00 0.00 N ATOM 0 H ASN A 112 3.459 -13.155 9.750 1.00 0.00 H new ATOM 0 HA ASN A 112 1.387 -13.247 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.075 -11.919 12.403 1.00 0.00 H new ATOM 0 HB3 ASN A 112 1.605 -10.965 12.400 1.00 0.00 H new ATOM 0 HD21 ASN A 112 1.363 -13.731 14.960 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.527 -12.444 14.631 1.00 0.00 H new ATOM 1640 N GLY A 113 0.467 -11.483 8.827 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.444 -10.582 8.145 1.00 0.00 C ATOM 1642 C GLY A 113 0.067 -9.156 8.119 1.00 0.00 C ATOM 1643 O GLY A 113 -0.557 -8.255 8.678 1.00 0.00 O ATOM 0 H GLY A 113 0.766 -12.288 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.597 -10.929 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.415 -10.608 8.639 1.00 0.00 H new ATOM 1647 N ALA A 114 1.209 -8.950 7.469 1.00 0.00 N ATOM 1648 CA ALA A 114 1.805 -7.623 7.374 1.00 0.00 C ATOM 1649 C ALA A 114 1.827 -7.130 5.936 1.00 0.00 C ATOM 1650 O ALA A 114 2.204 -7.862 5.022 1.00 0.00 O ATOM 1651 CB ALA A 114 3.211 -7.633 7.953 1.00 0.00 C ATOM 0 H ALA A 114 1.739 -9.685 7.001 1.00 0.00 H new ATOM 0 HA ALA A 114 1.190 -6.935 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.644 -6.636 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.171 -7.930 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.828 -8.340 7.398 1.00 0.00 H new ATOM 1657 N LEU A 115 1.420 -5.881 5.742 1.00 0.00 N ATOM 1658 CA LEU A 115 1.396 -5.290 4.413 1.00 0.00 C ATOM 1659 C LEU A 115 2.811 -5.147 3.865 1.00 0.00 C ATOM 1660 O LEU A 115 3.448 -4.109 4.038 1.00 0.00 O ATOM 1661 CB LEU A 115 0.708 -3.923 4.445 1.00 0.00 C ATOM 1662 CG LEU A 115 0.462 -3.294 3.072 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.953 -3.585 2.598 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.715 -1.794 3.120 1.00 0.00 C ATOM 0 H LEU A 115 1.103 -5.261 6.487 1.00 0.00 H new ATOM 0 HA LEU A 115 0.831 -5.952 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.248 -4.026 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.316 -3.240 5.038 1.00 0.00 H new ATOM 0 HG LEU A 115 1.159 -3.736 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.110 -3.130 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.098 -4.663 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.667 -3.171 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.535 -1.363 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.043 -1.335 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.748 -1.608 3.414 1.00 0.00 H new ATOM 1676 N CYS A 116 3.301 -6.201 3.214 1.00 0.00 N ATOM 1677 CA CYS A 116 4.649 -6.193 2.650 1.00 0.00 C ATOM 1678 C CYS A 116 5.032 -4.804 2.160 1.00 0.00 C ATOM 1679 O CYS A 116 4.172 -3.988 1.825 1.00 0.00 O ATOM 1680 CB CYS A 116 4.769 -7.193 1.498 1.00 0.00 C ATOM 1681 SG CYS A 116 5.965 -8.537 1.804 1.00 0.00 S ATOM 0 H CYS A 116 2.786 -7.069 3.065 1.00 0.00 H new ATOM 0 HA CYS A 116 5.334 -6.486 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.789 -7.629 1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 116 5.062 -6.658 0.595 1.00 0.00 H new ATOM 1686 N HIS A 117 6.332 -4.549 2.122 1.00 0.00 N ATOM 1687 CA HIS A 117 6.851 -3.262 1.676 1.00 0.00 C ATOM 1688 C HIS A 117 7.577 -3.406 0.346 1.00 0.00 C ATOM 1689 O HIS A 117 8.755 -3.761 0.303 1.00 0.00 O ATOM 1690 CB HIS A 117 7.796 -2.677 2.728 1.00 0.00 C ATOM 1691 CG HIS A 117 8.710 -1.620 2.192 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.852 -1.718 1.470 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 8.493 -0.271 2.381 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 10.298 -0.440 1.238 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 9.461 0.414 1.798 1.00 0.00 N flip ATOM 0 H HIS A 117 7.050 -5.219 2.396 1.00 0.00 H new ATOM 0 HA HIS A 117 6.009 -2.583 1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 117 7.205 -2.256 3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.395 -3.482 3.153 1.00 0.00 H new ATOM 0 HD1 HIS A 117 10.298 -2.580 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.662 0.158 2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.189 -0.176 0.687 1.00 0.00 H new ATOM 1704 N PHE A 118 6.864 -3.131 -0.740 1.00 0.00 N ATOM 1705 CA PHE A 118 7.438 -3.232 -2.074 1.00 0.00 C ATOM 1706 C PHE A 118 7.800 -1.854 -2.619 1.00 0.00 C ATOM 1707 O PHE A 118 7.030 -0.903 -2.490 1.00 0.00 O ATOM 1708 CB PHE A 118 6.455 -3.923 -3.017 1.00 0.00 C ATOM 1709 CG PHE A 118 6.455 -5.420 -2.897 1.00 0.00 C ATOM 1710 CD1 PHE A 118 5.670 -6.055 -1.945 1.00 0.00 C ATOM 1711 CD2 PHE A 118 7.236 -6.194 -3.739 1.00 0.00 C ATOM 1712 CE1 PHE A 118 5.665 -7.434 -1.839 1.00 0.00 C ATOM 1713 CE2 PHE A 118 7.232 -7.569 -3.639 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.449 -8.190 -2.690 1.00 0.00 C ATOM 0 H PHE A 118 5.888 -2.836 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 118 8.350 -3.825 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.450 -3.551 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.697 -3.650 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.056 -5.466 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 118 7.855 -5.715 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.051 -7.918 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.843 -8.160 -4.305 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.448 -9.267 -2.611 1.00 0.00 H new ATOM 1724 N PRO A 119 8.986 -1.731 -3.235 1.00 0.00 N ATOM 1725 CA PRO A 119 9.923 -2.845 -3.402 1.00 0.00 C ATOM 1726 C PRO A 119 10.595 -3.232 -2.089 1.00 0.00 C ATOM 1727 O PRO A 119 10.452 -2.544 -1.079 1.00 0.00 O ATOM 1728 CB PRO A 119 10.973 -2.311 -4.395 1.00 0.00 C ATOM 1729 CG PRO A 119 10.399 -1.028 -4.908 1.00 0.00 C ATOM 1730 CD PRO A 119 9.511 -0.500 -3.823 1.00 0.00 C ATOM 0 HA PRO A 119 9.414 -3.744 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 119 11.933 -2.147 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.146 -3.019 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.189 -0.316 -5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.835 -1.194 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.064 0.096 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.717 0.135 -4.218 1.00 0.00 H new ATOM 1738 N PHE A 120 11.333 -4.337 -2.113 1.00 0.00 N ATOM 1739 CA PHE A 120 12.036 -4.817 -0.930 1.00 0.00 C ATOM 1740 C PHE A 120 13.365 -5.456 -1.318 1.00 0.00 C ATOM 1741 O PHE A 120 13.532 -5.921 -2.445 1.00 0.00 O ATOM 1742 CB PHE A 120 11.173 -5.823 -0.162 1.00 0.00 C ATOM 1743 CG PHE A 120 11.052 -7.157 -0.841 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.077 -7.372 -1.802 1.00 0.00 C ATOM 1745 CD2 PHE A 120 11.909 -8.196 -0.517 1.00 0.00 C ATOM 1746 CE1 PHE A 120 9.960 -8.599 -2.426 1.00 0.00 C ATOM 1747 CE2 PHE A 120 11.798 -9.425 -1.139 1.00 0.00 C ATOM 1748 CZ PHE A 120 10.821 -9.626 -2.095 1.00 0.00 C ATOM 0 H PHE A 120 11.460 -4.918 -2.942 1.00 0.00 H new ATOM 0 HA PHE A 120 12.235 -3.962 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.597 -5.968 0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.176 -5.403 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.401 -6.572 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.673 -8.044 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.195 -8.755 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.473 -10.226 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.731 -10.585 -2.583 1.00 0.00 H new ATOM 1758 N LEU A 121 14.310 -5.468 -0.385 1.00 0.00 N ATOM 1759 CA LEU A 121 15.624 -6.043 -0.643 1.00 0.00 C ATOM 1760 C LEU A 121 15.731 -7.462 -0.093 1.00 0.00 C ATOM 1761 O LEU A 121 15.458 -7.707 1.083 1.00 0.00 O ATOM 1762 CB LEU A 121 16.721 -5.167 -0.035 1.00 0.00 C ATOM 1763 CG LEU A 121 18.080 -5.854 0.122 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.068 -6.794 1.317 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.439 -6.604 -1.146 1.00 0.00 C ATOM 0 H LEU A 121 14.191 -5.087 0.554 1.00 0.00 H new ATOM 0 HA LEU A 121 15.756 -6.086 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.847 -4.282 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.389 -4.822 0.944 1.00 0.00 H new ATOM 0 HG LEU A 121 18.838 -5.090 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.042 -7.273 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 121 17.851 -6.228 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.302 -7.556 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.408 -7.088 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.680 -7.359 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.488 -5.905 -1.981 1.00 0.00 H new ATOM 1777 N TYR A 122 16.142 -8.387 -0.952 1.00 0.00 N ATOM 1778 CA TYR A 122 16.304 -9.783 -0.562 1.00 0.00 C ATOM 1779 C TYR A 122 17.730 -10.249 -0.836 1.00 0.00 C ATOM 1780 O TYR A 122 18.233 -10.109 -1.951 1.00 0.00 O ATOM 1781 CB TYR A 122 15.310 -10.668 -1.318 1.00 0.00 C ATOM 1782 CG TYR A 122 15.620 -12.145 -1.224 1.00 0.00 C ATOM 1783 CD1 TYR A 122 16.233 -12.676 -0.096 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.299 -13.010 -2.263 1.00 0.00 C ATOM 1785 CE1 TYR A 122 16.517 -14.024 -0.004 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.578 -14.360 -2.179 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.187 -14.862 -1.049 1.00 0.00 C ATOM 1788 OH TYR A 122 16.468 -16.206 -0.961 1.00 0.00 O ATOM 0 H TYR A 122 16.370 -8.195 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 122 16.106 -9.866 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.308 -10.490 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 122 15.300 -10.374 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.492 -12.022 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.823 -12.620 -3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 122 16.994 -14.420 0.880 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.320 -15.019 -2.995 1.00 0.00 H new ATOM 0 HH TYR A 122 16.435 -16.486 -0.022 1.00 0.00 H new ATOM 1798 N ASN A 123 18.381 -10.791 0.187 1.00 0.00 N ATOM 1799 CA ASN A 123 19.753 -11.262 0.049 1.00 0.00 C ATOM 1800 C ASN A 123 20.611 -10.201 -0.632 1.00 0.00 C ATOM 1801 O ASN A 123 21.432 -10.508 -1.496 1.00 0.00 O ATOM 1802 CB ASN A 123 19.794 -12.565 -0.752 1.00 0.00 C ATOM 1803 CG ASN A 123 19.450 -12.358 -2.215 1.00 0.00 C ATOM 1804 OD1 ASN A 123 20.267 -11.867 -2.993 1.00 0.00 O ATOM 1805 ND2 ASN A 123 18.234 -12.733 -2.595 1.00 0.00 N ATOM 0 H ASN A 123 17.982 -10.915 1.118 1.00 0.00 H new ATOM 0 HA ASN A 123 20.154 -11.452 1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 123 20.789 -13.004 -0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 123 19.095 -13.279 -0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 123 17.945 -12.618 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 123 17.589 -13.136 -1.915 1.00 0.00 H new ATOM 1812 N ASN A 124 20.405 -8.949 -0.237 1.00 0.00 N ATOM 1813 CA ASN A 124 21.145 -7.829 -0.807 1.00 0.00 C ATOM 1814 C ASN A 124 20.789 -7.636 -2.278 1.00 0.00 C ATOM 1815 O ASN A 124 21.437 -6.869 -2.990 1.00 0.00 O ATOM 1816 CB ASN A 124 22.654 -8.043 -0.656 1.00 0.00 C ATOM 1817 CG ASN A 124 22.993 -9.103 0.373 1.00 0.00 C ATOM 1818 OD1 ASN A 124 22.551 -9.036 1.520 1.00 0.00 O ATOM 1819 ND2 ASN A 124 23.783 -10.091 -0.033 1.00 0.00 N ATOM 0 H ASN A 124 19.729 -8.684 0.479 1.00 0.00 H new ATOM 0 HA ASN A 124 20.863 -6.929 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.075 -8.330 -1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.124 -7.102 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 124 24.046 -10.833 0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.127 -10.107 -0.993 1.00 0.00 H new ATOM 1826 N HIS A 125 19.744 -8.329 -2.722 1.00 0.00 N ATOM 1827 CA HIS A 125 19.288 -8.227 -4.101 1.00 0.00 C ATOM 1828 C HIS A 125 17.943 -7.509 -4.163 1.00 0.00 C ATOM 1829 O HIS A 125 16.889 -8.143 -4.134 1.00 0.00 O ATOM 1830 CB HIS A 125 19.169 -9.617 -4.728 1.00 0.00 C ATOM 1831 CG HIS A 125 18.780 -9.591 -6.174 1.00 0.00 C ATOM 1832 ND1 HIS A 125 18.251 -10.681 -6.831 1.00 0.00 N ATOM 1833 CD2 HIS A 125 18.847 -8.597 -7.091 1.00 0.00 C ATOM 1834 CE1 HIS A 125 18.009 -10.360 -8.090 1.00 0.00 C ATOM 1835 NE2 HIS A 125 18.361 -9.101 -8.272 1.00 0.00 N ATOM 0 H HIS A 125 19.198 -8.968 -2.144 1.00 0.00 H new ATOM 0 HA HIS A 125 20.021 -7.650 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.122 -10.135 -4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.431 -10.195 -4.172 1.00 0.00 H new ATOM 0 HD1 HIS A 125 18.074 -11.593 -6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 125 19.214 -7.595 -6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.594 -11.016 -8.841 1.00 0.00 H new ATOM 1844 N ASN A 126 17.988 -6.183 -4.240 1.00 0.00 N ATOM 1845 CA ASN A 126 16.773 -5.380 -4.299 1.00 0.00 C ATOM 1846 C ASN A 126 15.720 -6.047 -5.180 1.00 0.00 C ATOM 1847 O ASN A 126 15.817 -6.022 -6.407 1.00 0.00 O ATOM 1848 CB ASN A 126 17.089 -3.981 -4.835 1.00 0.00 C ATOM 1849 CG ASN A 126 17.271 -2.963 -3.726 1.00 0.00 C ATOM 1850 OD1 ASN A 126 16.297 -2.473 -3.154 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.524 -2.643 -3.419 1.00 0.00 N ATOM 0 H ASN A 126 18.853 -5.642 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 126 16.374 -5.295 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 126 17.996 -4.023 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 126 16.283 -3.657 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 126 18.711 -1.964 -2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.299 -3.076 -3.922 1.00 0.00 H new ATOM 1857 N TYR A 127 14.714 -6.643 -4.547 1.00 0.00 N ATOM 1858 CA TYR A 127 13.644 -7.318 -5.276 1.00 0.00 C ATOM 1859 C TYR A 127 12.429 -6.407 -5.426 1.00 0.00 C ATOM 1860 O TYR A 127 12.437 -5.265 -4.965 1.00 0.00 O ATOM 1861 CB TYR A 127 13.243 -8.609 -4.559 1.00 0.00 C ATOM 1862 CG TYR A 127 13.798 -9.859 -5.205 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.051 -10.346 -4.856 1.00 0.00 C ATOM 1864 CD2 TYR A 127 13.068 -10.551 -6.163 1.00 0.00 C ATOM 1865 CE1 TYR A 127 15.562 -11.487 -5.443 1.00 0.00 C ATOM 1866 CE2 TYR A 127 13.572 -11.694 -6.755 1.00 0.00 C ATOM 1867 CZ TYR A 127 14.819 -12.157 -6.392 1.00 0.00 C ATOM 1868 OH TYR A 127 15.324 -13.295 -6.979 1.00 0.00 O ATOM 0 H TYR A 127 14.617 -6.673 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 127 14.016 -7.565 -6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.585 -8.562 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.155 -8.677 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 127 15.636 -9.824 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.091 -10.190 -6.450 1.00 0.00 H new ATOM 0 HE1 TYR A 127 16.538 -11.852 -5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 127 12.992 -12.222 -7.498 1.00 0.00 H new ATOM 0 HH TYR A 127 15.037 -14.081 -6.469 1.00 0.00 H new ATOM 1878 N THR A 128 11.385 -6.919 -6.072 1.00 0.00 N ATOM 1879 CA THR A 128 10.164 -6.148 -6.280 1.00 0.00 C ATOM 1880 C THR A 128 8.970 -7.059 -6.543 1.00 0.00 C ATOM 1881 O THR A 128 7.968 -6.633 -7.117 1.00 0.00 O ATOM 1882 CB THR A 128 10.314 -5.167 -7.458 1.00 0.00 C ATOM 1883 OG1 THR A 128 11.698 -4.858 -7.667 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.538 -3.886 -7.196 1.00 0.00 C ATOM 0 H THR A 128 11.360 -7.862 -6.459 1.00 0.00 H new ATOM 0 HA THR A 128 9.990 -5.584 -5.364 1.00 0.00 H new ATOM 0 HB THR A 128 9.910 -5.643 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.784 -4.235 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.659 -3.208 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.481 -4.121 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.917 -3.409 -6.292 1.00 0.00 H new ATOM 1892 N ASP A 129 9.080 -8.313 -6.115 1.00 0.00 N ATOM 1893 CA ASP A 129 8.004 -9.280 -6.301 1.00 0.00 C ATOM 1894 C ASP A 129 8.138 -10.435 -5.321 1.00 0.00 C ATOM 1895 O ASP A 129 9.219 -10.998 -5.154 1.00 0.00 O ATOM 1896 CB ASP A 129 7.999 -9.806 -7.738 1.00 0.00 C ATOM 1897 CG ASP A 129 6.722 -9.460 -8.477 1.00 0.00 C ATOM 1898 OD1 ASP A 129 5.924 -8.662 -7.941 1.00 0.00 O ATOM 1899 OD2 ASP A 129 6.518 -9.985 -9.591 1.00 0.00 O ATOM 0 H ASP A 129 9.902 -8.683 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 129 7.058 -8.774 -6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.851 -9.391 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.126 -10.888 -7.726 1.00 0.00 H new ATOM 1904 N CYS A 130 7.031 -10.776 -4.671 1.00 0.00 N ATOM 1905 CA CYS A 130 7.016 -11.860 -3.699 1.00 0.00 C ATOM 1906 C CYS A 130 7.741 -13.087 -4.244 1.00 0.00 C ATOM 1907 O CYS A 130 7.127 -13.969 -4.842 1.00 0.00 O ATOM 1908 CB CYS A 130 5.577 -12.222 -3.330 1.00 0.00 C ATOM 1909 SG CYS A 130 4.495 -10.782 -3.055 1.00 0.00 S ATOM 0 H CYS A 130 6.130 -10.315 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 130 7.537 -11.521 -2.803 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.153 -12.835 -4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.587 -12.833 -2.427 1.00 0.00 H new ATOM 1914 N THR A 131 9.051 -13.130 -4.032 1.00 0.00 N ATOM 1915 CA THR A 131 9.866 -14.244 -4.502 1.00 0.00 C ATOM 1916 C THR A 131 9.662 -15.481 -3.634 1.00 0.00 C ATOM 1917 O THR A 131 9.332 -15.376 -2.453 1.00 0.00 O ATOM 1918 CB THR A 131 11.363 -13.880 -4.509 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.147 -15.036 -4.828 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.792 -13.326 -3.160 1.00 0.00 C ATOM 0 H THR A 131 9.572 -12.406 -3.537 1.00 0.00 H new ATOM 0 HA THR A 131 9.546 -14.461 -5.521 1.00 0.00 H new ATOM 0 HB THR A 131 11.524 -13.112 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.097 -14.796 -4.832 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.853 -13.076 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.214 -12.430 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.617 -14.074 -2.387 1.00 0.00 H new ATOM 1928 N SER A 132 9.860 -16.653 -4.229 1.00 0.00 N ATOM 1929 CA SER A 132 9.698 -17.912 -3.512 1.00 0.00 C ATOM 1930 C SER A 132 11.048 -18.585 -3.286 1.00 0.00 C ATOM 1931 O SER A 132 11.125 -19.802 -3.114 1.00 0.00 O ATOM 1932 CB SER A 132 8.771 -18.850 -4.287 1.00 0.00 C ATOM 1933 OG SER A 132 7.864 -19.505 -3.417 1.00 0.00 O ATOM 0 H SER A 132 10.133 -16.757 -5.206 1.00 0.00 H new ATOM 0 HA SER A 132 9.253 -17.694 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.217 -18.283 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.364 -19.591 -4.824 1.00 0.00 H new ATOM 0 HG SER A 132 8.364 -20.028 -2.756 1.00 0.00 H new ATOM 1939 N GLU A 133 12.110 -17.786 -3.289 1.00 0.00 N ATOM 1940 CA GLU A 133 13.458 -18.304 -3.085 1.00 0.00 C ATOM 1941 C GLU A 133 13.621 -18.854 -1.673 1.00 0.00 C ATOM 1942 O GLU A 133 12.757 -18.661 -0.817 1.00 0.00 O ATOM 1943 CB GLU A 133 14.492 -17.207 -3.340 1.00 0.00 C ATOM 1944 CG GLU A 133 15.318 -17.430 -4.597 1.00 0.00 C ATOM 1945 CD GLU A 133 15.796 -16.133 -5.219 1.00 0.00 C ATOM 1946 OE1 GLU A 133 16.735 -15.521 -4.669 1.00 0.00 O ATOM 1947 OE2 GLU A 133 15.231 -15.729 -6.257 1.00 0.00 O ATOM 0 H GLU A 133 12.063 -16.777 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 133 13.619 -19.117 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 133 13.980 -16.248 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.161 -17.143 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 133 16.180 -18.052 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 133 14.723 -17.980 -5.326 1.00 0.00 H new ATOM 1954 N GLY A 134 14.733 -19.542 -1.435 1.00 0.00 N ATOM 1955 CA GLY A 134 14.988 -20.110 -0.125 1.00 0.00 C ATOM 1956 C GLY A 134 13.727 -20.620 0.543 1.00 0.00 C ATOM 1957 O GLY A 134 13.618 -20.611 1.769 1.00 0.00 O ATOM 0 H GLY A 134 15.462 -19.716 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.701 -20.929 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.452 -19.356 0.510 1.00 0.00 H new ATOM 1961 N ARG A 135 12.771 -21.066 -0.266 1.00 0.00 N ATOM 1962 CA ARG A 135 11.509 -21.582 0.253 1.00 0.00 C ATOM 1963 C ARG A 135 11.370 -23.073 -0.042 1.00 0.00 C ATOM 1964 O ARG A 135 11.746 -23.914 0.773 1.00 0.00 O ATOM 1965 CB ARG A 135 10.333 -20.816 -0.354 1.00 0.00 C ATOM 1966 CG ARG A 135 8.976 -21.378 0.036 1.00 0.00 C ATOM 1967 CD ARG A 135 8.545 -20.890 1.410 1.00 0.00 C ATOM 1968 NE ARG A 135 8.246 -21.996 2.315 1.00 0.00 N ATOM 1969 CZ ARG A 135 7.701 -21.836 3.517 1.00 0.00 C ATOM 1970 NH1 ARG A 135 7.398 -20.622 3.954 1.00 0.00 N ATOM 1971 NH2 ARG A 135 7.460 -22.892 4.282 1.00 0.00 N ATOM 0 H ARG A 135 12.846 -21.080 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 135 11.503 -21.442 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 135 10.389 -19.773 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 135 10.424 -20.828 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 135 8.233 -21.084 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.017 -22.467 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 135 9.335 -20.273 1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.664 -20.256 1.310 1.00 0.00 H new ATOM 0 HE ARG A 135 8.467 -22.943 2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.583 -19.808 3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.980 -20.502 4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.693 -23.827 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.042 -22.769 5.204 1.00 0.00 H new ATOM 1985 N ARG A 136 10.826 -23.390 -1.212 1.00 0.00 N ATOM 1986 CA ARG A 136 10.636 -24.779 -1.615 1.00 0.00 C ATOM 1987 C ARG A 136 9.331 -25.335 -1.053 1.00 0.00 C ATOM 1988 O ARG A 136 9.264 -26.494 -0.646 1.00 0.00 O ATOM 1989 CB ARG A 136 11.813 -25.634 -1.143 1.00 0.00 C ATOM 1990 CG ARG A 136 12.357 -26.563 -2.216 1.00 0.00 C ATOM 1991 CD ARG A 136 12.467 -27.993 -1.711 1.00 0.00 C ATOM 1992 NE ARG A 136 12.602 -28.951 -2.804 1.00 0.00 N ATOM 1993 CZ ARG A 136 13.196 -30.133 -2.679 1.00 0.00 C ATOM 1994 NH1 ARG A 136 13.708 -30.499 -1.512 1.00 0.00 N ATOM 1995 NH2 ARG A 136 13.279 -30.950 -3.720 1.00 0.00 N ATOM 0 H ARG A 136 10.509 -22.705 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 136 10.585 -24.812 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.614 -24.978 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 136 11.499 -26.228 -0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 136 11.705 -26.533 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 136 13.338 -26.213 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 136 13.327 -28.078 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.584 -28.238 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 136 12.219 -28.699 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.646 -29.873 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.164 -31.407 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 136 12.886 -30.672 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.735 -31.857 -3.621 1.00 0.00 H new ATOM 2009 N ASP A 137 8.297 -24.499 -1.034 1.00 0.00 N ATOM 2010 CA ASP A 137 6.994 -24.908 -0.523 1.00 0.00 C ATOM 2011 C ASP A 137 5.869 -24.275 -1.333 1.00 0.00 C ATOM 2012 O ASP A 137 4.794 -23.990 -0.805 1.00 0.00 O ATOM 2013 CB ASP A 137 6.857 -24.520 0.951 1.00 0.00 C ATOM 2014 CG ASP A 137 7.913 -25.172 1.821 1.00 0.00 C ATOM 2015 OD1 ASP A 137 9.112 -25.046 1.496 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.541 -25.810 2.829 1.00 0.00 O ATOM 0 H ASP A 137 8.337 -23.535 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 137 6.919 -25.991 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.929 -23.437 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.868 -24.806 1.309 1.00 0.00 H new ATOM 2021 N ASN A 138 6.123 -24.058 -2.620 1.00 0.00 N ATOM 2022 CA ASN A 138 5.130 -23.459 -3.504 1.00 0.00 C ATOM 2023 C ASN A 138 4.320 -22.395 -2.770 1.00 0.00 C ATOM 2024 O ASN A 138 3.235 -22.671 -2.258 1.00 0.00 O ATOM 2025 CB ASN A 138 4.196 -24.534 -4.061 1.00 0.00 C ATOM 2026 CG ASN A 138 3.980 -24.397 -5.555 1.00 0.00 C ATOM 2027 OD1 ASN A 138 3.903 -23.287 -6.083 1.00 0.00 O ATOM 2028 ND2 ASN A 138 3.879 -25.527 -6.245 1.00 0.00 N ATOM 0 H ASN A 138 7.007 -24.288 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 138 5.657 -22.983 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.611 -25.519 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 138 3.234 -24.475 -3.551 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.732 -25.497 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 138 3.949 -26.425 -5.766 1.00 0.00 H new ATOM 2035 N MET A 139 4.854 -21.179 -2.724 1.00 0.00 N ATOM 2036 CA MET A 139 4.181 -20.074 -2.051 1.00 0.00 C ATOM 2037 C MET A 139 5.058 -18.826 -2.045 1.00 0.00 C ATOM 2038 O MET A 139 5.634 -18.466 -1.018 1.00 0.00 O ATOM 2039 CB MET A 139 3.819 -20.466 -0.618 1.00 0.00 C ATOM 2040 CG MET A 139 2.483 -19.908 -0.153 1.00 0.00 C ATOM 2041 SD MET A 139 2.178 -20.204 1.599 1.00 0.00 S ATOM 2042 CE MET A 139 0.636 -21.112 1.527 1.00 0.00 C ATOM 0 H MET A 139 5.750 -20.934 -3.145 1.00 0.00 H new ATOM 0 HA MET A 139 3.266 -19.850 -2.600 1.00 0.00 H new ATOM 0 HB2 MET A 139 3.795 -21.553 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 139 4.603 -20.117 0.054 1.00 0.00 H new ATOM 0 HG2 MET A 139 2.454 -18.836 -0.347 1.00 0.00 H new ATOM 0 HG3 MET A 139 1.682 -20.359 -0.738 1.00 0.00 H new ATOM 0 HE1 MET A 139 0.317 -21.368 2.537 1.00 0.00 H new ATOM 0 HE2 MET A 139 -0.127 -20.496 1.050 1.00 0.00 H new ATOM 0 HE3 MET A 139 0.778 -22.025 0.950 1.00 0.00 H new ATOM 2052 N LYS A 140 5.154 -18.172 -3.197 1.00 0.00 N ATOM 2053 CA LYS A 140 5.961 -16.963 -3.326 1.00 0.00 C ATOM 2054 C LYS A 140 5.890 -16.125 -2.053 1.00 0.00 C ATOM 2055 O LYS A 140 4.813 -15.910 -1.499 1.00 0.00 O ATOM 2056 CB LYS A 140 5.490 -16.136 -4.523 1.00 0.00 C ATOM 2057 CG LYS A 140 6.388 -16.264 -5.742 1.00 0.00 C ATOM 2058 CD LYS A 140 6.039 -15.234 -6.803 1.00 0.00 C ATOM 2059 CE LYS A 140 5.609 -15.895 -8.102 1.00 0.00 C ATOM 2060 NZ LYS A 140 5.581 -14.929 -9.235 1.00 0.00 N ATOM 0 H LYS A 140 4.683 -18.458 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 140 6.997 -17.262 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.480 -16.445 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.436 -15.087 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 140 7.429 -16.141 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 140 6.293 -17.266 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 140 5.238 -14.592 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 140 6.902 -14.594 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 140 6.292 -16.711 -8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 140 4.620 -16.335 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 5.283 -15.420 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 4.910 -14.164 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 6.531 -14.528 -9.373 1.00 0.00 H new ATOM 2074 N TRP A 141 7.046 -15.655 -1.596 1.00 0.00 N ATOM 2075 CA TRP A 141 7.116 -14.841 -0.387 1.00 0.00 C ATOM 2076 C TRP A 141 7.669 -13.453 -0.696 1.00 0.00 C ATOM 2077 O TRP A 141 8.294 -13.239 -1.735 1.00 0.00 O ATOM 2078 CB TRP A 141 7.989 -15.528 0.664 1.00 0.00 C ATOM 2079 CG TRP A 141 9.383 -15.800 0.189 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.836 -16.938 -0.412 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.506 -14.917 0.277 1.00 0.00 C ATOM 2082 NE1 TRP A 141 11.173 -16.816 -0.706 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.607 -15.583 -0.292 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.687 -13.625 0.779 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.869 -15.002 -0.372 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.941 -13.050 0.700 1.00 0.00 C ATOM 2087 CH2 TRP A 141 13.017 -13.737 0.127 1.00 0.00 C ATOM 0 H TRP A 141 7.947 -15.823 -2.044 1.00 0.00 H new ATOM 0 HA TRP A 141 6.105 -14.730 0.006 1.00 0.00 H new ATOM 0 HB2 TRP A 141 8.032 -14.903 1.556 1.00 0.00 H new ATOM 0 HB3 TRP A 141 7.522 -16.469 0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 141 9.232 -17.808 -0.626 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.748 -17.527 -1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.862 -13.086 1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.701 -15.531 -0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 12.093 -12.053 1.087 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.984 -13.259 0.078 1.00 0.00 H new ATOM 2098 N CYS A 142 7.434 -12.511 0.212 1.00 0.00 N ATOM 2099 CA CYS A 142 7.908 -11.144 0.034 1.00 0.00 C ATOM 2100 C CYS A 142 8.390 -10.555 1.355 1.00 0.00 C ATOM 2101 O CYS A 142 7.946 -10.964 2.428 1.00 0.00 O ATOM 2102 CB CYS A 142 6.799 -10.268 -0.549 1.00 0.00 C ATOM 2103 SG CYS A 142 5.371 -10.026 0.557 1.00 0.00 S ATOM 0 H CYS A 142 6.918 -12.670 1.078 1.00 0.00 H new ATOM 0 HA CYS A 142 8.748 -11.169 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.217 -9.293 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 142 6.450 -10.716 -1.480 1.00 0.00 H new ATOM 2108 N GLY A 143 9.299 -9.591 1.268 1.00 0.00 N ATOM 2109 CA GLY A 143 9.824 -8.958 2.462 1.00 0.00 C ATOM 2110 C GLY A 143 8.839 -7.985 3.078 1.00 0.00 C ATOM 2111 O GLY A 143 8.262 -7.150 2.381 1.00 0.00 O ATOM 0 H GLY A 143 9.682 -9.237 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.080 -9.724 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.746 -8.431 2.216 1.00 0.00 H new ATOM 2115 N THR A 144 8.644 -8.092 4.387 1.00 0.00 N ATOM 2116 CA THR A 144 7.721 -7.215 5.096 1.00 0.00 C ATOM 2117 C THR A 144 8.310 -5.819 5.271 1.00 0.00 C ATOM 2118 O THR A 144 7.675 -4.935 5.846 1.00 0.00 O ATOM 2119 CB THR A 144 7.360 -7.784 6.479 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.486 -7.687 7.358 1.00 0.00 O ATOM 2121 CG2 THR A 144 6.921 -9.235 6.369 1.00 0.00 C ATOM 0 H THR A 144 9.113 -8.778 4.979 1.00 0.00 H new ATOM 0 HA THR A 144 6.818 -7.150 4.489 1.00 0.00 H new ATOM 0 HB THR A 144 6.533 -7.200 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.306 -7.590 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 144 6.671 -9.616 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 144 6.046 -9.302 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 144 7.731 -9.829 5.946 1.00 0.00 H new ATOM 2129 N THR A 145 9.528 -5.626 4.771 1.00 0.00 N ATOM 2130 CA THR A 145 10.199 -4.337 4.872 1.00 0.00 C ATOM 2131 C THR A 145 11.018 -4.046 3.618 1.00 0.00 C ATOM 2132 O THR A 145 10.891 -4.740 2.609 1.00 0.00 O ATOM 2133 CB THR A 145 11.122 -4.281 6.104 1.00 0.00 C ATOM 2134 OG1 THR A 145 12.186 -5.230 5.964 1.00 0.00 O ATOM 2135 CG2 THR A 145 10.341 -4.571 7.378 1.00 0.00 C ATOM 0 H THR A 145 10.068 -6.347 4.292 1.00 0.00 H new ATOM 0 HA THR A 145 9.422 -3.580 4.977 1.00 0.00 H new ATOM 0 HB THR A 145 11.539 -3.276 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.925 -4.983 6.558 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.013 -4.526 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.551 -3.830 7.497 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.899 -5.565 7.315 1.00 0.00 H new ATOM 2143 N GLN A 146 11.855 -3.017 3.686 1.00 0.00 N ATOM 2144 CA GLN A 146 12.691 -2.636 2.552 1.00 0.00 C ATOM 2145 C GLN A 146 13.958 -3.484 2.492 1.00 0.00 C ATOM 2146 O GLN A 146 14.843 -3.238 1.672 1.00 0.00 O ATOM 2147 CB GLN A 146 13.061 -1.154 2.641 1.00 0.00 C ATOM 2148 CG GLN A 146 14.183 -0.750 1.699 1.00 0.00 C ATOM 2149 CD GLN A 146 14.358 0.754 1.611 1.00 0.00 C ATOM 2150 OE1 GLN A 146 13.256 1.467 1.415 1.00 0.00 O flip ATOM 2151 NE2 GLN A 146 15.472 1.268 1.719 1.00 0.00 N flip ATOM 0 H GLN A 146 11.973 -2.432 4.513 1.00 0.00 H new ATOM 0 HA GLN A 146 12.119 -2.810 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.178 -0.554 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.356 -0.922 3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.116 -1.201 2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 146 13.978 -1.147 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.292 0.681 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.574 2.281 1.658 1.00 0.00 H new ATOM 2160 N ASN A 147 14.042 -4.483 3.365 1.00 0.00 N ATOM 2161 CA ASN A 147 15.203 -5.366 3.410 1.00 0.00 C ATOM 2162 C ASN A 147 14.866 -6.669 4.130 1.00 0.00 C ATOM 2163 O ASN A 147 15.096 -6.806 5.331 1.00 0.00 O ATOM 2164 CB ASN A 147 16.371 -4.670 4.112 1.00 0.00 C ATOM 2165 CG ASN A 147 16.249 -3.160 4.082 1.00 0.00 C ATOM 2166 OD1 ASN A 147 15.405 -2.580 4.765 1.00 0.00 O ATOM 2167 ND2 ASN A 147 17.094 -2.513 3.288 1.00 0.00 N ATOM 0 H ASN A 147 13.320 -4.702 4.051 1.00 0.00 H new ATOM 0 HA ASN A 147 15.491 -5.601 2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.421 -5.007 5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 147 17.306 -4.965 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 147 17.059 -1.495 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 147 17.778 -3.034 2.739 1.00 0.00 H new ATOM 2174 N TYR A 148 14.313 -7.619 3.384 1.00 0.00 N ATOM 2175 CA TYR A 148 13.937 -8.913 3.945 1.00 0.00 C ATOM 2176 C TYR A 148 15.123 -9.582 4.637 1.00 0.00 C ATOM 2177 O TYR A 148 15.038 -9.959 5.805 1.00 0.00 O ATOM 2178 CB TYR A 148 13.381 -9.820 2.841 1.00 0.00 C ATOM 2179 CG TYR A 148 13.542 -11.299 3.115 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.926 -11.896 4.207 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.311 -12.096 2.279 1.00 0.00 C ATOM 2182 CE1 TYR A 148 13.072 -13.246 4.458 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.462 -13.448 2.522 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.840 -14.018 3.613 1.00 0.00 C ATOM 2185 OH TYR A 148 13.988 -15.364 3.858 1.00 0.00 O ATOM 0 H TYR A 148 14.115 -7.518 2.389 1.00 0.00 H new ATOM 0 HA TYR A 148 13.164 -8.748 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.322 -9.600 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.880 -9.579 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.323 -11.295 4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.800 -11.652 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.587 -13.695 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 148 15.064 -14.055 1.861 1.00 0.00 H new ATOM 0 HH TYR A 148 14.559 -15.761 3.168 1.00 0.00 H new ATOM 2195 N ASP A 149 16.223 -9.732 3.907 1.00 0.00 N ATOM 2196 CA ASP A 149 17.421 -10.362 4.455 1.00 0.00 C ATOM 2197 C ASP A 149 18.030 -9.510 5.565 1.00 0.00 C ATOM 2198 O ASP A 149 18.789 -10.007 6.396 1.00 0.00 O ATOM 2199 CB ASP A 149 18.451 -10.600 3.348 1.00 0.00 C ATOM 2200 CG ASP A 149 19.853 -10.806 3.889 1.00 0.00 C ATOM 2201 OD1 ASP A 149 20.018 -11.629 4.814 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.787 -10.147 3.385 1.00 0.00 O ATOM 0 H ASP A 149 16.311 -9.427 2.938 1.00 0.00 H new ATOM 0 HA ASP A 149 17.131 -11.322 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.158 -11.474 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.450 -9.749 2.667 1.00 0.00 H new ATOM 2207 N ALA A 150 17.692 -8.226 5.575 1.00 0.00 N ATOM 2208 CA ALA A 150 18.205 -7.311 6.585 1.00 0.00 C ATOM 2209 C ALA A 150 17.294 -7.273 7.807 1.00 0.00 C ATOM 2210 O ALA A 150 17.642 -6.695 8.836 1.00 0.00 O ATOM 2211 CB ALA A 150 18.368 -5.917 5.999 1.00 0.00 C ATOM 0 H ALA A 150 17.065 -7.796 4.895 1.00 0.00 H new ATOM 0 HA ALA A 150 19.181 -7.674 6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 150 18.752 -5.243 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 150 19.067 -5.953 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 150 17.402 -5.554 5.648 1.00 0.00 H new ATOM 2217 N ASP A 151 16.125 -7.896 7.686 1.00 0.00 N ATOM 2218 CA ASP A 151 15.164 -7.936 8.782 1.00 0.00 C ATOM 2219 C ASP A 151 14.592 -9.340 8.955 1.00 0.00 C ATOM 2220 O ASP A 151 13.643 -9.545 9.712 1.00 0.00 O ATOM 2221 CB ASP A 151 14.031 -6.939 8.530 1.00 0.00 C ATOM 2222 CG ASP A 151 13.722 -6.095 9.751 1.00 0.00 C ATOM 2223 OD1 ASP A 151 13.646 -6.662 10.861 1.00 0.00 O ATOM 2224 OD2 ASP A 151 13.554 -4.868 9.596 1.00 0.00 O ATOM 0 H ASP A 151 15.821 -8.379 6.841 1.00 0.00 H new ATOM 0 HA ASP A 151 15.685 -7.661 9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 151 14.303 -6.287 7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 151 13.134 -7.481 8.230 1.00 0.00 H new ATOM 2229 N GLN A 152 15.174 -10.305 8.247 1.00 0.00 N ATOM 2230 CA GLN A 152 14.721 -11.689 8.324 1.00 0.00 C ATOM 2231 C GLN A 152 13.206 -11.758 8.475 1.00 0.00 C ATOM 2232 O GLN A 152 12.688 -12.493 9.317 1.00 0.00 O ATOM 2233 CB GLN A 152 15.396 -12.404 9.497 1.00 0.00 C ATOM 2234 CG GLN A 152 15.587 -13.895 9.271 1.00 0.00 C ATOM 2235 CD GLN A 152 17.042 -14.313 9.338 1.00 0.00 C ATOM 2236 OE1 GLN A 152 17.390 -15.290 10.000 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.903 -13.571 8.650 1.00 0.00 N ATOM 0 H GLN A 152 15.960 -10.153 7.614 1.00 0.00 H new ATOM 0 HA GLN A 152 14.998 -12.188 7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 152 16.368 -11.945 9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.798 -12.255 10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 152 15.019 -14.448 10.019 1.00 0.00 H new ATOM 0 HG3 GLN A 152 15.179 -14.166 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 152 17.571 -12.769 8.114 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.896 -13.803 8.658 1.00 0.00 H new ATOM 2246 N LYS A 153 12.499 -10.991 7.651 1.00 0.00 N ATOM 2247 CA LYS A 153 11.042 -10.966 7.692 1.00 0.00 C ATOM 2248 C LYS A 153 10.455 -11.330 6.333 1.00 0.00 C ATOM 2249 O LYS A 153 10.448 -10.515 5.410 1.00 0.00 O ATOM 2250 CB LYS A 153 10.546 -9.584 8.123 1.00 0.00 C ATOM 2251 CG LYS A 153 10.590 -9.363 9.626 1.00 0.00 C ATOM 2252 CD LYS A 153 10.353 -7.905 9.982 1.00 0.00 C ATOM 2253 CE LYS A 153 9.792 -7.758 11.386 1.00 0.00 C ATOM 2254 NZ LYS A 153 10.590 -8.519 12.387 1.00 0.00 N ATOM 0 H LYS A 153 12.912 -10.379 6.947 1.00 0.00 H new ATOM 0 HA LYS A 153 10.710 -11.705 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 153 11.152 -8.821 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.522 -9.450 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 153 9.835 -9.984 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.558 -9.680 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 153 11.290 -7.354 9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 153 9.662 -7.462 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 153 9.775 -6.703 11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.760 -8.108 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 10.305 -8.235 13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 10.422 -9.538 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.601 -8.316 12.252 1.00 0.00 H new ATOM 2268 N PHE A 154 9.961 -12.558 6.217 1.00 0.00 N ATOM 2269 CA PHE A 154 9.370 -13.030 4.971 1.00 0.00 C ATOM 2270 C PHE A 154 7.849 -13.072 5.075 1.00 0.00 C ATOM 2271 O PHE A 154 7.298 -13.264 6.160 1.00 0.00 O ATOM 2272 CB PHE A 154 9.909 -14.418 4.621 1.00 0.00 C ATOM 2273 CG PHE A 154 9.414 -15.503 5.532 1.00 0.00 C ATOM 2274 CD1 PHE A 154 8.104 -15.946 5.457 1.00 0.00 C ATOM 2275 CD2 PHE A 154 10.261 -16.081 6.466 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.647 -16.946 6.295 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.809 -17.080 7.307 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.500 -17.513 7.221 1.00 0.00 C ATOM 0 H PHE A 154 9.958 -13.245 6.971 1.00 0.00 H new ATOM 0 HA PHE A 154 9.643 -12.333 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.628 -14.660 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.998 -14.395 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.432 -15.505 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 154 11.285 -15.746 6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.623 -17.284 6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.478 -17.522 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 154 8.144 -18.294 7.877 1.00 0.00 H new ATOM 2288 N GLY A 155 7.176 -12.886 3.945 1.00 0.00 N ATOM 2289 CA GLY A 155 5.725 -12.900 3.938 1.00 0.00 C ATOM 2290 C GLY A 155 5.150 -13.603 2.724 1.00 0.00 C ATOM 2291 O GLY A 155 5.674 -13.477 1.619 1.00 0.00 O ATOM 0 H GLY A 155 7.608 -12.726 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.367 -13.393 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 155 5.356 -11.875 3.967 1.00 0.00 H new ATOM 2295 N PHE A 156 4.057 -14.334 2.929 1.00 0.00 N ATOM 2296 CA PHE A 156 3.399 -15.046 1.841 1.00 0.00 C ATOM 2297 C PHE A 156 2.584 -14.077 0.993 1.00 0.00 C ATOM 2298 O PHE A 156 1.897 -13.204 1.524 1.00 0.00 O ATOM 2299 CB PHE A 156 2.493 -16.147 2.396 1.00 0.00 C ATOM 2300 CG PHE A 156 3.241 -17.247 3.093 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.366 -17.813 2.513 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.820 -17.716 4.327 1.00 0.00 C ATOM 2303 CE1 PHE A 156 5.056 -18.826 3.151 1.00 0.00 C ATOM 2304 CE2 PHE A 156 3.507 -18.729 4.970 1.00 0.00 C ATOM 2305 CZ PHE A 156 4.626 -19.283 4.382 1.00 0.00 C ATOM 0 H PHE A 156 3.610 -14.448 3.839 1.00 0.00 H new ATOM 0 HA PHE A 156 4.164 -15.505 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.782 -15.704 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 156 1.913 -16.575 1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.707 -17.458 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.945 -17.285 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 156 5.930 -19.260 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.168 -19.086 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.165 -20.073 4.884 1.00 0.00 H new ATOM 2315 N CYS A 157 2.667 -14.229 -0.324 1.00 0.00 N ATOM 2316 CA CYS A 157 1.944 -13.354 -1.241 1.00 0.00 C ATOM 2317 C CYS A 157 0.553 -13.901 -1.540 1.00 0.00 C ATOM 2318 O CYS A 157 0.330 -15.111 -1.516 1.00 0.00 O ATOM 2319 CB CYS A 157 2.729 -13.194 -2.544 1.00 0.00 C ATOM 2320 SG CYS A 157 2.622 -11.531 -3.280 1.00 0.00 S ATOM 0 H CYS A 157 3.227 -14.949 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 157 1.834 -12.381 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 157 3.777 -13.429 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 157 2.364 -13.923 -3.267 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.404 -13.004 -1.825 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.788 -13.388 -2.129 1.00 0.00 C ATOM 2327 C PRO A 158 -1.887 -14.227 -3.398 1.00 0.00 C ATOM 2328 O PRO A 158 -0.883 -14.726 -3.904 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.507 -12.045 -2.318 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.614 -11.030 -1.687 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.217 -11.545 -1.872 1.00 0.00 C ATOM 0 HA PRO A 158 -2.219 -14.005 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.665 -11.828 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.489 -12.054 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.737 -10.054 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -1.848 -10.906 -0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.212 -11.222 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 158 0.451 -11.196 -1.085 1.00 0.00 H new