USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=47 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 125 HIS :FLIP no HD1:sc= -1.8! C(o=-4.6!,f=-2.4!) USER MOD Set 1.2: A 126 ASN : amide:sc= -0.582 K(o=-2.4,f=-3.2!) USER MOD Set 2.1: A 51 SER OG : rot 145:sc= -5.98! USER MOD Set 2.2: A 84 THR OG1 : rot 146:sc= -1.95! USER MOD Set 2.3: A 95 SER OG : rot -27:sc= -5.88! USER MOD Set 3.1: A 50 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.4!) USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 88 TYR OH : rot 132:sc= 0.239 USER MOD Set 4.2: A 92 GLN : amide:sc= 0 X(o=0.24,f=0.24) USER MOD Set 5.1: A 87 ASN : amide:sc= -0.124 K(o=-1.1,f=-4.2) USER MOD Set 5.2: A 90 GLN :FLIP amide:sc= -0.96 F(o=-3.1,f=-1.1) USER MOD Set 6.1: A 13 SER OG : rot -130:sc= -1.82! USER MOD Set 6.2: A 16 MET CE :methyl 171:sc= -13.9! (180deg=-10.4!) USER MOD Set 6.3: A 144 THR OG1 : rot 11:sc= -3.65! USER MOD Set 6.4: A 153 LYS NZ :NH3+ -120:sc= -3.04! (180deg=-6.41!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -8.32! C(o=-9.6!,f=-8.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.479 USER MOD Single : A 8 SER OG : rot -85:sc= 0.364 USER MOD Single : A 12 TYR OH : rot 24:sc= -1.98! USER MOD Single : A 17 GLN : amide:sc= -0.0866 K(o=-0.087,f=-1.9!) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0.674 (180deg=0.519) USER MOD Single : A 21 THR OG1 : rot 28:sc= 1.19 USER MOD Single : A 22 GLN : amide:sc= -2.86! C(o=-2.9!,f=-2.6!) USER MOD Single : A 24 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.18) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -5.3! C(o=-5.3!,f=-5.6!) USER MOD Single : A 27 MET CE :methyl -137:sc= -10.3! (180deg=-12.5!) USER MOD Single : A 30 THR OG1 : rot -11:sc= -5.92! USER MOD Single : A 34 ASN : amide:sc= -0.0998 K(o=-0.1,f=-0.66) USER MOD Single : A 37 SER OG : rot -150:sc= -5.96! USER MOD Single : A 39 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.1!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 135:sc= 0.595 USER MOD Single : A 47 TYR OH : rot -125:sc= -2.39! USER MOD Single : A 52 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -6.17! C(o=-6.2!,f=-5.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 79 HIS : no HD1:sc= -9.89! C(o=-9.9!,f=-15!) USER MOD Single : A 83 SER OG : rot -74:sc= -1.64! USER MOD Single : A 85 THR OG1 : rot 176:sc= -0.821 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= -0.112 (180deg=-0.841) USER MOD Single : A 98 THR OG1 : rot -10:sc= 0.872! USER MOD Single : A 105 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.1!) USER MOD Single : A 106 THR OG1 : rot 29:sc= 0.516 USER MOD Single : A 110 ASN :FLIP amide:sc= -5.93! C(o=-6.5!,f=-5.9!) USER MOD Single : A 111 SER OG : rot 160:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.816 K(o=-0.82,f=-2.8!) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.617 F(o=-2.2,f=-0.62) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.48) USER MOD Single : A 124 ASN :FLIP amide:sc= -3.86! C(o=-4.7!,f=-3.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -69:sc= 1.01 USER MOD Single : A 138 ASN : amide:sc=-0.00593 K(o=-0.0059,f=-1.3) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -165:sc=-0.00483 (180deg=-0.0948) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 146 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.31) USER MOD Single : A 147 ASN : amide:sc= -11.4! C(o=-11!,f=-22!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 8.202 -3.090 17.972 1.00 0.00 N ATOM 32 CA HIS A 3 7.096 -3.766 17.305 1.00 0.00 C ATOM 33 C HIS A 3 5.755 -3.275 17.843 1.00 0.00 C ATOM 34 O HIS A 3 5.683 -2.244 18.511 1.00 0.00 O ATOM 35 CB HIS A 3 7.211 -5.281 17.491 1.00 0.00 C ATOM 36 CG HIS A 3 6.736 -5.757 18.828 1.00 0.00 C ATOM 37 ND1 HIS A 3 5.507 -6.145 19.244 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 7.564 -5.876 19.924 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 5.615 -6.488 20.569 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 6.866 -6.318 20.955 1.00 0.00 N flip ATOM 0 HA HIS A 3 7.147 -3.533 16.241 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.635 -5.779 16.711 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.251 -5.577 17.357 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.619 -5.644 19.938 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.808 -6.840 21.194 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.232 -6.497 21.890 1.00 0.00 H new ATOM 49 N CYS A 4 4.696 -4.021 17.546 1.00 0.00 N ATOM 50 CA CYS A 4 3.356 -3.661 17.999 1.00 0.00 C ATOM 51 C CYS A 4 2.443 -4.882 18.013 1.00 0.00 C ATOM 52 O CYS A 4 2.340 -5.602 17.021 1.00 0.00 O ATOM 53 CB CYS A 4 2.759 -2.578 17.096 1.00 0.00 C ATOM 54 SG CYS A 4 3.965 -1.771 15.993 1.00 0.00 S ATOM 0 H CYS A 4 4.739 -4.878 16.994 1.00 0.00 H new ATOM 0 HA CYS A 4 3.437 -3.273 19.014 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.970 -3.022 16.489 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.291 -1.818 17.721 1.00 0.00 H new ATOM 59 N VAL A 5 1.781 -5.109 19.143 1.00 0.00 N ATOM 60 CA VAL A 5 0.876 -6.244 19.283 1.00 0.00 C ATOM 61 C VAL A 5 -0.581 -5.797 19.244 1.00 0.00 C ATOM 62 O VAL A 5 -0.971 -4.854 19.931 1.00 0.00 O ATOM 63 CB VAL A 5 1.133 -7.013 20.593 1.00 0.00 C ATOM 64 CG1 VAL A 5 0.829 -8.494 20.411 1.00 0.00 C ATOM 65 CG2 VAL A 5 2.565 -6.809 21.061 1.00 0.00 C ATOM 0 H VAL A 5 1.854 -4.523 19.974 1.00 0.00 H new ATOM 0 HA VAL A 5 1.071 -6.906 18.440 1.00 0.00 H new ATOM 0 HB VAL A 5 0.466 -6.620 21.360 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.016 -9.021 21.346 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.216 -8.619 20.127 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.469 -8.903 19.629 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.727 -7.360 21.987 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.253 -7.173 20.298 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.744 -5.748 21.234 1.00 0.00 H new ATOM 75 N THR A 6 -1.380 -6.484 18.434 1.00 0.00 N ATOM 76 CA THR A 6 -2.796 -6.160 18.300 1.00 0.00 C ATOM 77 C THR A 6 -3.564 -7.312 17.662 1.00 0.00 C ATOM 78 O THR A 6 -3.138 -8.466 17.725 1.00 0.00 O ATOM 79 CB THR A 6 -3.003 -4.890 17.455 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.334 -4.392 17.637 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.760 -5.176 15.981 1.00 0.00 C ATOM 0 H THR A 6 -1.071 -7.269 17.860 1.00 0.00 H new ATOM 0 HA THR A 6 -3.178 -5.984 19.306 1.00 0.00 H new ATOM 0 HB THR A 6 -2.286 -4.139 17.786 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.457 -3.583 17.098 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.912 -4.264 15.404 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.737 -5.527 15.842 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.456 -5.942 15.639 1.00 0.00 H new ATOM 89 N ASP A 7 -4.698 -6.993 17.047 1.00 0.00 N ATOM 90 CA ASP A 7 -5.526 -8.002 16.397 1.00 0.00 C ATOM 91 C ASP A 7 -5.602 -9.270 17.242 1.00 0.00 C ATOM 92 O ASP A 7 -5.468 -10.380 16.727 1.00 0.00 O ATOM 93 CB ASP A 7 -4.968 -8.333 15.011 1.00 0.00 C ATOM 94 CG ASP A 7 -5.553 -7.450 13.926 1.00 0.00 C ATOM 95 OD1 ASP A 7 -6.746 -7.625 13.598 1.00 0.00 O ATOM 96 OD2 ASP A 7 -4.820 -6.584 13.405 1.00 0.00 O ATOM 0 H ASP A 7 -5.065 -6.043 16.985 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.532 -7.597 16.290 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.884 -8.220 15.022 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.177 -9.377 14.778 1.00 0.00 H new ATOM 101 N SER A 8 -5.819 -9.095 18.541 1.00 0.00 N ATOM 102 CA SER A 8 -5.916 -10.225 19.459 1.00 0.00 C ATOM 103 C SER A 8 -4.532 -10.662 19.930 1.00 0.00 C ATOM 104 O SER A 8 -4.277 -10.758 21.130 1.00 0.00 O ATOM 105 CB SER A 8 -6.632 -11.397 18.785 1.00 0.00 C ATOM 106 OG SER A 8 -5.711 -12.250 18.129 1.00 0.00 O ATOM 0 H SER A 8 -5.931 -8.182 18.982 1.00 0.00 H new ATOM 0 HA SER A 8 -6.493 -9.908 20.328 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.189 -11.964 19.531 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.357 -11.018 18.065 1.00 0.00 H new ATOM 0 HG SER A 8 -5.527 -11.903 17.231 1.00 0.00 H new ATOM 112 N GLY A 9 -3.645 -10.927 18.978 1.00 0.00 N ATOM 113 CA GLY A 9 -2.299 -11.352 19.317 1.00 0.00 C ATOM 114 C GLY A 9 -1.340 -11.233 18.149 1.00 0.00 C ATOM 115 O GLY A 9 -0.318 -11.917 18.104 1.00 0.00 O ATOM 0 H GLY A 9 -3.833 -10.855 17.978 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.930 -10.751 20.148 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.324 -12.387 19.659 1.00 0.00 H new ATOM 119 N VAL A 10 -1.670 -10.362 17.201 1.00 0.00 N ATOM 120 CA VAL A 10 -0.831 -10.156 16.028 1.00 0.00 C ATOM 121 C VAL A 10 0.217 -9.080 16.285 1.00 0.00 C ATOM 122 O VAL A 10 -0.091 -7.888 16.291 1.00 0.00 O ATOM 123 CB VAL A 10 -1.669 -9.757 14.799 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.956 -10.153 13.515 1.00 0.00 C ATOM 125 CG2 VAL A 10 -3.052 -10.386 14.868 1.00 0.00 C ATOM 0 H VAL A 10 -2.513 -9.788 17.223 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.333 -11.104 15.826 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.789 -8.674 14.800 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.563 -9.863 12.657 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.009 -9.648 13.464 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.802 -11.232 13.502 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.629 -10.093 13.991 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.957 -11.472 14.893 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.562 -10.045 15.769 1.00 0.00 H new ATOM 135 N VAL A 11 1.458 -9.508 16.497 1.00 0.00 N ATOM 136 CA VAL A 11 2.551 -8.580 16.756 1.00 0.00 C ATOM 137 C VAL A 11 3.282 -8.223 15.465 1.00 0.00 C ATOM 138 O VAL A 11 3.879 -9.082 14.817 1.00 0.00 O ATOM 139 CB VAL A 11 3.549 -9.162 17.782 1.00 0.00 C ATOM 140 CG1 VAL A 11 3.693 -10.662 17.591 1.00 0.00 C ATOM 141 CG2 VAL A 11 4.904 -8.469 17.691 1.00 0.00 C ATOM 0 H VAL A 11 1.730 -10.491 16.494 1.00 0.00 H new ATOM 0 HA VAL A 11 2.115 -7.673 17.175 1.00 0.00 H new ATOM 0 HB VAL A 11 3.152 -8.978 18.780 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.400 -11.056 18.322 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.724 -11.141 17.729 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.059 -10.867 16.585 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.584 -8.901 18.425 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.316 -8.605 16.691 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.782 -7.404 17.891 1.00 0.00 H new ATOM 151 N TYR A 12 3.229 -6.946 15.102 1.00 0.00 N ATOM 152 CA TYR A 12 3.881 -6.463 13.891 1.00 0.00 C ATOM 153 C TYR A 12 5.098 -5.611 14.237 1.00 0.00 C ATOM 154 O TYR A 12 5.064 -4.813 15.173 1.00 0.00 O ATOM 155 CB TYR A 12 2.895 -5.647 13.052 1.00 0.00 C ATOM 156 CG TYR A 12 1.718 -6.450 12.547 1.00 0.00 C ATOM 157 CD1 TYR A 12 1.844 -7.295 11.450 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.478 -6.362 13.167 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.768 -8.028 10.987 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.602 -7.092 12.711 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.452 -7.923 11.621 1.00 0.00 C ATOM 162 OH TYR A 12 -1.526 -8.651 11.162 1.00 0.00 O ATOM 0 H TYR A 12 2.739 -6.225 15.632 1.00 0.00 H new ATOM 0 HA TYR A 12 4.214 -7.325 13.313 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.526 -4.814 13.650 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.424 -5.219 12.200 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.798 -7.380 10.952 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.356 -5.711 14.020 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.882 -8.680 10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.559 -7.012 13.205 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.204 -9.438 10.675 1.00 0.00 H new ATOM 172 N SER A 13 6.174 -5.785 13.476 1.00 0.00 N ATOM 173 CA SER A 13 7.401 -5.029 13.704 1.00 0.00 C ATOM 174 C SER A 13 7.362 -3.696 12.966 1.00 0.00 C ATOM 175 O SER A 13 6.601 -3.526 12.014 1.00 0.00 O ATOM 176 CB SER A 13 8.617 -5.840 13.253 1.00 0.00 C ATOM 177 OG SER A 13 8.805 -6.979 14.075 1.00 0.00 O ATOM 0 H SER A 13 6.221 -6.442 12.697 1.00 0.00 H new ATOM 0 HA SER A 13 7.483 -4.831 14.773 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.485 -6.153 12.217 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.508 -5.213 13.286 1.00 0.00 H new ATOM 0 HG SER A 13 9.738 -7.016 14.374 1.00 0.00 H new ATOM 183 N VAL A 14 8.184 -2.754 13.412 1.00 0.00 N ATOM 184 CA VAL A 14 8.244 -1.436 12.797 1.00 0.00 C ATOM 185 C VAL A 14 8.324 -1.535 11.279 1.00 0.00 C ATOM 186 O VAL A 14 8.324 -2.630 10.719 1.00 0.00 O ATOM 187 CB VAL A 14 9.449 -0.639 13.321 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.546 -0.769 14.831 1.00 0.00 C ATOM 189 CG2 VAL A 14 10.734 -1.104 12.652 1.00 0.00 C ATOM 0 H VAL A 14 8.820 -2.880 14.200 1.00 0.00 H new ATOM 0 HA VAL A 14 7.326 -0.914 13.066 1.00 0.00 H new ATOM 0 HB VAL A 14 9.305 0.413 13.074 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.403 -0.200 15.191 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.636 -0.382 15.289 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.669 -1.818 15.099 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.574 -0.527 13.037 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.893 -2.161 12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.657 -0.957 11.575 1.00 0.00 H new ATOM 199 N GLY A 15 8.388 -0.383 10.619 1.00 0.00 N ATOM 200 CA GLY A 15 8.460 -0.366 9.172 1.00 0.00 C ATOM 201 C GLY A 15 7.614 -1.457 8.548 1.00 0.00 C ATOM 202 O GLY A 15 7.943 -1.975 7.480 1.00 0.00 O ATOM 0 H GLY A 15 8.391 0.537 11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.128 0.605 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.497 -0.488 8.859 1.00 0.00 H new ATOM 206 N MET A 16 6.523 -1.812 9.221 1.00 0.00 N ATOM 207 CA MET A 16 5.630 -2.857 8.727 1.00 0.00 C ATOM 208 C MET A 16 4.217 -2.323 8.522 1.00 0.00 C ATOM 209 O MET A 16 3.510 -2.032 9.485 1.00 0.00 O ATOM 210 CB MET A 16 5.602 -4.035 9.701 1.00 0.00 C ATOM 211 CG MET A 16 4.926 -5.274 9.138 1.00 0.00 C ATOM 212 SD MET A 16 5.254 -6.750 10.120 1.00 0.00 S ATOM 213 CE MET A 16 6.488 -7.561 9.107 1.00 0.00 C ATOM 0 H MET A 16 6.236 -1.394 10.106 1.00 0.00 H new ATOM 0 HA MET A 16 6.012 -3.195 7.764 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.624 -4.286 9.984 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.085 -3.731 10.611 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.850 -5.106 9.090 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.269 -5.438 8.117 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.909 -8.405 9.653 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.026 -7.918 8.187 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.281 -6.854 8.864 1.00 0.00 H new ATOM 223 N GLN A 17 3.813 -2.202 7.261 1.00 0.00 N ATOM 224 CA GLN A 17 2.482 -1.704 6.927 1.00 0.00 C ATOM 225 C GLN A 17 1.475 -2.845 6.831 1.00 0.00 C ATOM 226 O GLN A 17 1.815 -3.955 6.420 1.00 0.00 O ATOM 227 CB GLN A 17 2.521 -0.930 5.609 1.00 0.00 C ATOM 228 CG GLN A 17 3.820 -0.172 5.387 1.00 0.00 C ATOM 229 CD GLN A 17 4.135 0.027 3.917 1.00 0.00 C ATOM 230 OE1 GLN A 17 3.337 -0.317 3.046 1.00 0.00 O ATOM 231 NE2 GLN A 17 5.306 0.587 3.633 1.00 0.00 N ATOM 0 H GLN A 17 4.388 -2.442 6.453 1.00 0.00 H new ATOM 0 HA GLN A 17 2.164 -1.034 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.371 -1.626 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.690 -0.225 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.757 0.800 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.638 -0.715 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.938 0.857 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.573 0.747 2.662 1.00 0.00 H new ATOM 240 N TRP A 18 0.232 -2.561 7.209 1.00 0.00 N ATOM 241 CA TRP A 18 -0.829 -3.559 7.163 1.00 0.00 C ATOM 242 C TRP A 18 -2.202 -2.896 7.160 1.00 0.00 C ATOM 243 O TRP A 18 -2.473 -2.002 7.962 1.00 0.00 O ATOM 244 CB TRP A 18 -0.714 -4.517 8.349 1.00 0.00 C ATOM 245 CG TRP A 18 -1.190 -3.927 9.642 1.00 0.00 C ATOM 246 CD1 TRP A 18 -2.476 -3.876 10.098 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.383 -3.308 10.649 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.517 -3.263 11.327 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.244 -2.907 11.687 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.985 -3.055 10.772 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.779 -2.267 12.834 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.444 -2.423 11.910 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.566 -2.035 12.928 1.00 0.00 C ATOM 0 H TRP A 18 -0.064 -1.647 7.551 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.717 -4.125 6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.290 -5.417 8.136 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.326 -4.823 8.459 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.336 -4.261 9.570 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.358 -3.100 11.881 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.671 -3.348 9.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.455 -1.965 13.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.500 -2.224 12.017 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.958 -1.542 13.806 1.00 0.00 H new ATOM 264 N LEU A 19 -3.065 -3.339 6.250 1.00 0.00 N ATOM 265 CA LEU A 19 -4.410 -2.787 6.141 1.00 0.00 C ATOM 266 C LEU A 19 -5.269 -3.206 7.330 1.00 0.00 C ATOM 267 O LEU A 19 -5.165 -4.331 7.819 1.00 0.00 O ATOM 268 CB LEU A 19 -5.066 -3.245 4.838 1.00 0.00 C ATOM 269 CG LEU A 19 -6.422 -2.605 4.536 1.00 0.00 C ATOM 270 CD1 LEU A 19 -6.253 -1.130 4.201 1.00 0.00 C ATOM 271 CD2 LEU A 19 -7.116 -3.336 3.398 1.00 0.00 C ATOM 0 H LEU A 19 -2.856 -4.078 5.579 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.331 -1.700 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.388 -3.030 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.192 -4.327 4.873 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.046 -2.686 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.228 -0.691 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.799 -0.614 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.611 -1.027 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.079 -2.866 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.496 -3.288 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.272 -4.378 3.676 1.00 0.00 H new ATOM 283 N LYS A 20 -6.119 -2.293 7.789 1.00 0.00 N ATOM 284 CA LYS A 20 -6.996 -2.567 8.921 1.00 0.00 C ATOM 285 C LYS A 20 -8.226 -1.664 8.887 1.00 0.00 C ATOM 286 O LYS A 20 -8.111 -0.449 8.725 1.00 0.00 O ATOM 287 CB LYS A 20 -6.242 -2.372 10.238 1.00 0.00 C ATOM 288 CG LYS A 20 -5.325 -1.160 10.239 1.00 0.00 C ATOM 289 CD LYS A 20 -5.594 -0.260 11.434 1.00 0.00 C ATOM 290 CE LYS A 20 -4.522 -0.412 12.500 1.00 0.00 C ATOM 291 NZ LYS A 20 -4.639 0.628 13.559 1.00 0.00 N ATOM 0 H LYS A 20 -6.219 -1.358 7.395 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.326 -3.604 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.963 -2.272 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.651 -3.264 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.286 -1.489 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.466 -0.595 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.637 0.779 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.568 -0.501 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.598 -1.401 12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.538 -0.348 12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.004 0.392 14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.375 1.554 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.620 0.665 13.903 1.00 0.00 H new ATOM 305 N THR A 21 -9.400 -2.267 9.042 1.00 0.00 N ATOM 306 CA THR A 21 -10.650 -1.517 9.029 1.00 0.00 C ATOM 307 C THR A 21 -10.882 -0.811 10.361 1.00 0.00 C ATOM 308 O THR A 21 -11.335 -1.423 11.328 1.00 0.00 O ATOM 309 CB THR A 21 -11.852 -2.433 8.731 1.00 0.00 C ATOM 310 OG1 THR A 21 -13.031 -1.645 8.527 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.082 -3.411 9.873 1.00 0.00 C ATOM 0 H THR A 21 -9.512 -3.272 9.178 1.00 0.00 H new ATOM 0 HA THR A 21 -10.564 -0.773 8.237 1.00 0.00 H new ATOM 0 HB THR A 21 -11.633 -2.999 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.779 -0.761 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.936 -4.048 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.194 -4.029 10.007 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.281 -2.858 10.791 1.00 0.00 H new ATOM 319 N GLN A 22 -10.568 0.480 10.403 1.00 0.00 N ATOM 320 CA GLN A 22 -10.742 1.269 11.617 1.00 0.00 C ATOM 321 C GLN A 22 -12.205 1.654 11.810 1.00 0.00 C ATOM 322 O GLN A 22 -12.531 2.829 11.978 1.00 0.00 O ATOM 323 CB GLN A 22 -9.875 2.527 11.560 1.00 0.00 C ATOM 324 CG GLN A 22 -9.680 3.193 12.912 1.00 0.00 C ATOM 325 CD GLN A 22 -10.733 4.244 13.203 1.00 0.00 C ATOM 326 OE1 GLN A 22 -10.802 5.273 12.530 1.00 0.00 O ATOM 327 NE2 GLN A 22 -11.561 3.990 14.210 1.00 0.00 N ATOM 0 H GLN A 22 -10.192 1.001 9.611 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.431 0.659 12.465 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.900 2.268 11.148 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.331 3.242 10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.705 2.434 13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.693 3.654 12.946 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.468 3.124 14.741 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.290 4.661 14.452 1.00 0.00 H new ATOM 336 N GLY A 23 -13.083 0.655 11.786 1.00 0.00 N ATOM 337 CA GLY A 23 -14.500 0.911 11.960 1.00 0.00 C ATOM 338 C GLY A 23 -15.348 0.211 10.916 1.00 0.00 C ATOM 339 O GLY A 23 -15.817 -0.906 11.135 1.00 0.00 O ATOM 0 H GLY A 23 -12.838 -0.326 11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.806 0.582 12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.681 1.985 11.910 1.00 0.00 H new ATOM 343 N ASN A 24 -15.544 0.868 9.778 1.00 0.00 N ATOM 344 CA ASN A 24 -16.341 0.303 8.695 1.00 0.00 C ATOM 345 C ASN A 24 -15.737 0.647 7.338 1.00 0.00 C ATOM 346 O ASN A 24 -16.390 0.509 6.304 1.00 0.00 O ATOM 347 CB ASN A 24 -17.780 0.817 8.771 1.00 0.00 C ATOM 348 CG ASN A 24 -18.770 -0.141 8.139 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.365 -0.976 8.820 1.00 0.00 O ATOM 350 ND2 ASN A 24 -18.952 -0.025 6.828 1.00 0.00 N ATOM 0 H ASN A 24 -15.162 1.793 9.581 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.343 -0.781 8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.051 0.979 9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.844 1.784 8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.606 -0.643 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.438 0.682 6.302 1.00 0.00 H new ATOM 357 N LYS A 25 -14.485 1.095 7.349 1.00 0.00 N ATOM 358 CA LYS A 25 -13.792 1.458 6.118 1.00 0.00 C ATOM 359 C LYS A 25 -12.406 0.827 6.067 1.00 0.00 C ATOM 360 O LYS A 25 -12.025 0.068 6.959 1.00 0.00 O ATOM 361 CB LYS A 25 -13.678 2.980 6.004 1.00 0.00 C ATOM 362 CG LYS A 25 -14.995 3.666 5.680 1.00 0.00 C ATOM 363 CD LYS A 25 -14.857 4.604 4.492 1.00 0.00 C ATOM 364 CE LYS A 25 -13.665 5.534 4.651 1.00 0.00 C ATOM 365 NZ LYS A 25 -14.017 6.946 4.340 1.00 0.00 N ATOM 0 H LYS A 25 -13.930 1.215 8.196 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.373 1.079 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.292 3.378 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.950 3.225 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.755 2.914 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.338 4.227 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.745 4.021 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.768 5.193 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.289 5.470 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.860 5.207 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.177 7.548 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.352 7.012 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.768 7.267 4.984 1.00 0.00 H new ATOM 379 N GLN A 26 -11.653 1.147 5.020 1.00 0.00 N ATOM 380 CA GLN A 26 -10.307 0.610 4.854 1.00 0.00 C ATOM 381 C GLN A 26 -9.257 1.636 5.267 1.00 0.00 C ATOM 382 O GLN A 26 -9.199 2.736 4.717 1.00 0.00 O ATOM 383 CB GLN A 26 -10.079 0.189 3.400 1.00 0.00 C ATOM 384 CG GLN A 26 -9.304 -1.111 3.258 1.00 0.00 C ATOM 385 CD GLN A 26 -8.554 -1.201 1.943 1.00 0.00 C ATOM 386 OE1 GLN A 26 -8.631 -2.207 1.239 1.00 0.00 O ATOM 387 NE2 GLN A 26 -7.821 -0.146 1.608 1.00 0.00 N ATOM 0 H GLN A 26 -11.952 1.775 4.274 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.210 -0.264 5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.045 0.083 2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.541 0.982 2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.597 -1.200 4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.993 -1.951 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.787 0.667 2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.292 -0.149 0.736 1.00 0.00 H new ATOM 396 N MET A 27 -8.430 1.269 6.241 1.00 0.00 N ATOM 397 CA MET A 27 -7.383 2.158 6.729 1.00 0.00 C ATOM 398 C MET A 27 -6.031 1.452 6.738 1.00 0.00 C ATOM 399 O MET A 27 -5.844 0.455 7.436 1.00 0.00 O ATOM 400 CB MET A 27 -7.720 2.655 8.136 1.00 0.00 C ATOM 401 CG MET A 27 -7.592 4.162 8.296 1.00 0.00 C ATOM 402 SD MET A 27 -5.956 4.662 8.866 1.00 0.00 S ATOM 403 CE MET A 27 -6.168 6.436 8.985 1.00 0.00 C ATOM 0 H MET A 27 -8.465 0.362 6.707 1.00 0.00 H new ATOM 0 HA MET A 27 -7.323 3.012 6.054 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.739 2.357 8.383 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.062 2.165 8.853 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.803 4.644 7.342 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.343 4.514 9.004 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.290 6.936 8.577 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.051 6.736 8.421 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.293 6.718 10.030 1.00 0.00 H new ATOM 413 N LEU A 28 -5.090 1.976 5.960 1.00 0.00 N ATOM 414 CA LEU A 28 -3.754 1.396 5.878 1.00 0.00 C ATOM 415 C LEU A 28 -2.893 1.849 7.053 1.00 0.00 C ATOM 416 O LEU A 28 -2.610 3.037 7.207 1.00 0.00 O ATOM 417 CB LEU A 28 -3.086 1.788 4.559 1.00 0.00 C ATOM 418 CG LEU A 28 -1.737 1.117 4.293 1.00 0.00 C ATOM 419 CD1 LEU A 28 -1.865 0.082 3.185 1.00 0.00 C ATOM 420 CD2 LEU A 28 -0.685 2.156 3.936 1.00 0.00 C ATOM 0 H LEU A 28 -5.228 2.802 5.377 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.851 0.311 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.763 1.546 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.946 2.869 4.547 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.421 0.608 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.896 -0.385 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.587 -0.680 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.204 0.568 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.268 1.660 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.995 2.694 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.573 2.859 4.761 1.00 0.00 H new ATOM 432 N CYS A 29 -2.478 0.894 7.879 1.00 0.00 N ATOM 433 CA CYS A 29 -1.648 1.194 9.039 1.00 0.00 C ATOM 434 C CYS A 29 -0.251 0.606 8.872 1.00 0.00 C ATOM 435 O CYS A 29 0.022 -0.099 7.900 1.00 0.00 O ATOM 436 CB CYS A 29 -2.296 0.648 10.312 1.00 0.00 C ATOM 437 SG CYS A 29 -2.259 1.804 11.720 1.00 0.00 S ATOM 0 H CYS A 29 -2.703 -0.094 7.766 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.560 2.277 9.122 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.332 0.388 10.097 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.789 -0.273 10.599 1.00 0.00 H new ATOM 442 N THR A 30 0.631 0.899 9.822 1.00 0.00 N ATOM 443 CA THR A 30 1.997 0.396 9.771 1.00 0.00 C ATOM 444 C THR A 30 2.697 0.548 11.115 1.00 0.00 C ATOM 445 O THR A 30 2.479 1.522 11.835 1.00 0.00 O ATOM 446 CB THR A 30 2.827 1.130 8.700 1.00 0.00 C ATOM 447 OG1 THR A 30 2.185 1.032 7.423 1.00 0.00 O ATOM 448 CG2 THR A 30 4.234 0.559 8.615 1.00 0.00 C ATOM 0 H THR A 30 0.424 1.481 10.634 1.00 0.00 H new ATOM 0 HA THR A 30 1.928 -0.661 9.516 1.00 0.00 H new ATOM 0 HB THR A 30 2.897 2.179 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.454 0.381 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.799 1.095 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.731 0.670 9.579 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.183 -0.498 8.353 1.00 0.00 H new ATOM 456 N CYS A 31 3.549 -0.417 11.439 1.00 0.00 N ATOM 457 CA CYS A 31 4.296 -0.389 12.688 1.00 0.00 C ATOM 458 C CYS A 31 5.494 0.539 12.559 1.00 0.00 C ATOM 459 O CYS A 31 6.347 0.344 11.693 1.00 0.00 O ATOM 460 CB CYS A 31 4.763 -1.796 13.063 1.00 0.00 C ATOM 461 SG CYS A 31 3.646 -2.673 14.204 1.00 0.00 S ATOM 0 H CYS A 31 3.739 -1.229 10.852 1.00 0.00 H new ATOM 0 HA CYS A 31 3.641 -0.017 13.476 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.871 -2.386 12.153 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.751 -1.730 13.519 1.00 0.00 H new ATOM 466 N LEU A 32 5.549 1.553 13.415 1.00 0.00 N ATOM 467 CA LEU A 32 6.641 2.516 13.382 1.00 0.00 C ATOM 468 C LEU A 32 7.068 2.917 14.790 1.00 0.00 C ATOM 469 O LEU A 32 6.234 3.074 15.683 1.00 0.00 O ATOM 470 CB LEU A 32 6.222 3.757 12.593 1.00 0.00 C ATOM 471 CG LEU A 32 5.952 3.516 11.106 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.463 3.616 10.812 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.734 4.505 10.256 1.00 0.00 C ATOM 0 H LEU A 32 4.852 1.729 14.138 1.00 0.00 H new ATOM 0 HA LEU A 32 7.491 2.043 12.890 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.323 4.172 13.048 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.004 4.511 12.688 1.00 0.00 H new ATOM 0 HG LEU A 32 6.284 2.509 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.289 3.442 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.926 2.868 11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.105 4.610 11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.530 4.319 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.433 5.521 10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.801 4.385 10.446 1.00 0.00 H new ATOM 485 N GLY A 33 8.374 3.083 14.979 1.00 0.00 N ATOM 486 CA GLY A 33 8.898 3.469 16.275 1.00 0.00 C ATOM 487 C GLY A 33 8.110 2.878 17.426 1.00 0.00 C ATOM 488 O GLY A 33 8.289 1.711 17.777 1.00 0.00 O ATOM 0 H GLY A 33 9.080 2.956 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.938 3.151 16.351 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.891 4.556 16.356 1.00 0.00 H new ATOM 492 N ASN A 34 7.237 3.687 18.018 1.00 0.00 N ATOM 493 CA ASN A 34 6.420 3.238 19.141 1.00 0.00 C ATOM 494 C ASN A 34 4.970 3.680 18.974 1.00 0.00 C ATOM 495 O ASN A 34 4.343 4.158 19.919 1.00 0.00 O ATOM 496 CB ASN A 34 6.981 3.783 20.456 1.00 0.00 C ATOM 497 CG ASN A 34 7.599 2.697 21.315 1.00 0.00 C ATOM 498 OD1 ASN A 34 7.086 1.580 21.387 1.00 0.00 O ATOM 499 ND2 ASN A 34 8.706 3.021 21.972 1.00 0.00 N ATOM 0 H ASN A 34 7.077 4.655 17.740 1.00 0.00 H new ATOM 0 HA ASN A 34 6.448 2.149 19.163 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.732 4.543 20.240 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.182 4.273 21.013 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.167 2.332 22.566 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.096 3.959 21.883 1.00 0.00 H new ATOM 506 N GLY A 35 4.441 3.517 17.766 1.00 0.00 N ATOM 507 CA GLY A 35 3.069 3.904 17.498 1.00 0.00 C ATOM 508 C GLY A 35 2.669 3.654 16.059 1.00 0.00 C ATOM 509 O GLY A 35 2.913 4.487 15.186 1.00 0.00 O ATOM 0 H GLY A 35 4.939 3.123 16.967 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.402 3.350 18.159 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.941 4.961 17.729 1.00 0.00 H new ATOM 513 N VAL A 36 2.056 2.501 15.809 1.00 0.00 N ATOM 514 CA VAL A 36 1.626 2.146 14.463 1.00 0.00 C ATOM 515 C VAL A 36 1.012 3.349 13.751 1.00 0.00 C ATOM 516 O VAL A 36 0.114 4.004 14.280 1.00 0.00 O ATOM 517 CB VAL A 36 0.614 0.975 14.481 1.00 0.00 C ATOM 518 CG1 VAL A 36 0.957 -0.021 15.579 1.00 0.00 C ATOM 519 CG2 VAL A 36 -0.813 1.482 14.643 1.00 0.00 C ATOM 0 H VAL A 36 1.847 1.799 16.519 1.00 0.00 H new ATOM 0 HA VAL A 36 2.513 1.825 13.916 1.00 0.00 H new ATOM 0 HB VAL A 36 0.682 0.464 13.521 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.232 -0.835 15.572 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.955 -0.423 15.407 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.930 0.480 16.546 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.501 0.636 14.652 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.900 2.031 15.581 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.061 2.142 13.812 1.00 0.00 H new ATOM 529 N SER A 37 1.498 3.630 12.548 1.00 0.00 N ATOM 530 CA SER A 37 0.994 4.752 11.764 1.00 0.00 C ATOM 531 C SER A 37 -0.206 4.331 10.922 1.00 0.00 C ATOM 532 O SER A 37 -0.107 3.431 10.088 1.00 0.00 O ATOM 533 CB SER A 37 2.097 5.306 10.860 1.00 0.00 C ATOM 534 OG SER A 37 3.220 5.720 11.618 1.00 0.00 O ATOM 0 H SER A 37 2.240 3.097 12.094 1.00 0.00 H new ATOM 0 HA SER A 37 0.675 5.532 12.455 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.400 4.544 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.712 6.149 10.286 1.00 0.00 H new ATOM 0 HG SER A 37 3.672 6.458 11.157 1.00 0.00 H new ATOM 540 N CYS A 38 -1.339 4.988 11.146 1.00 0.00 N ATOM 541 CA CYS A 38 -2.559 4.681 10.407 1.00 0.00 C ATOM 542 C CYS A 38 -2.910 5.807 9.441 1.00 0.00 C ATOM 543 O CYS A 38 -3.046 6.963 9.841 1.00 0.00 O ATOM 544 CB CYS A 38 -3.719 4.442 11.375 1.00 0.00 C ATOM 545 SG CYS A 38 -4.089 2.683 11.674 1.00 0.00 S ATOM 0 H CYS A 38 -1.438 5.736 11.833 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.385 3.774 9.828 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.488 4.920 12.327 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.612 4.928 10.982 1.00 0.00 H new ATOM 550 N GLN A 39 -3.057 5.460 8.166 1.00 0.00 N ATOM 551 CA GLN A 39 -3.393 6.442 7.142 1.00 0.00 C ATOM 552 C GLN A 39 -4.613 5.997 6.341 1.00 0.00 C ATOM 553 O GLN A 39 -4.598 4.947 5.700 1.00 0.00 O ATOM 554 CB GLN A 39 -2.205 6.657 6.202 1.00 0.00 C ATOM 555 CG GLN A 39 -1.177 7.640 6.738 1.00 0.00 C ATOM 556 CD GLN A 39 0.049 6.952 7.304 1.00 0.00 C ATOM 557 OE1 GLN A 39 0.075 5.731 7.455 1.00 0.00 O ATOM 558 NE2 GLN A 39 1.074 7.735 7.622 1.00 0.00 N ATOM 0 H GLN A 39 -2.949 4.507 7.818 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.629 7.382 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.719 5.699 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.573 7.016 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.873 8.315 5.938 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.636 8.253 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.009 8.743 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.926 7.328 8.008 1.00 0.00 H new ATOM 567 N GLU A 40 -5.669 6.803 6.386 1.00 0.00 N ATOM 568 CA GLU A 40 -6.898 6.493 5.665 1.00 0.00 C ATOM 569 C GLU A 40 -6.744 6.782 4.175 1.00 0.00 C ATOM 570 O GLU A 40 -5.646 7.065 3.699 1.00 0.00 O ATOM 571 CB GLU A 40 -8.066 7.299 6.236 1.00 0.00 C ATOM 572 CG GLU A 40 -9.178 6.436 6.811 1.00 0.00 C ATOM 573 CD GLU A 40 -10.488 7.187 6.944 1.00 0.00 C ATOM 574 OE1 GLU A 40 -11.169 7.383 5.915 1.00 0.00 O ATOM 575 OE2 GLU A 40 -10.835 7.578 8.079 1.00 0.00 O ATOM 0 H GLU A 40 -5.698 7.675 6.914 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.104 5.430 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.692 7.962 7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.478 7.932 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.325 5.566 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.875 6.064 7.790 1.00 0.00 H new ATOM 636 N GLN A 45 0.846 9.430 2.348 1.00 0.00 N ATOM 637 CA GLN A 45 2.199 9.624 2.855 1.00 0.00 C ATOM 638 C GLN A 45 2.935 10.691 2.050 1.00 0.00 C ATOM 639 O GLN A 45 3.615 10.385 1.070 1.00 0.00 O ATOM 640 CB GLN A 45 2.978 8.308 2.809 1.00 0.00 C ATOM 641 CG GLN A 45 3.406 7.806 4.179 1.00 0.00 C ATOM 642 CD GLN A 45 4.795 8.277 4.564 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.952 9.195 5.369 1.00 0.00 O ATOM 644 NE2 GLN A 45 5.813 7.647 3.988 1.00 0.00 N ATOM 0 HA GLN A 45 2.127 9.960 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.362 7.548 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.863 8.441 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.690 8.147 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.380 6.716 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.636 6.891 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.771 7.919 4.208 1.00 0.00 H new ATOM 653 N THR A 46 2.794 11.944 2.469 1.00 0.00 N ATOM 654 CA THR A 46 3.444 13.056 1.789 1.00 0.00 C ATOM 655 C THR A 46 4.959 12.987 1.949 1.00 0.00 C ATOM 656 O THR A 46 5.467 12.335 2.860 1.00 0.00 O ATOM 657 CB THR A 46 2.945 14.412 2.322 1.00 0.00 C ATOM 658 OG1 THR A 46 3.025 14.434 3.753 1.00 0.00 O ATOM 659 CG2 THR A 46 1.511 14.671 1.887 1.00 0.00 C ATOM 0 H THR A 46 2.234 12.214 3.278 1.00 0.00 H new ATOM 0 HA THR A 46 3.187 12.973 0.733 1.00 0.00 H new ATOM 0 HB THR A 46 3.580 15.196 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.418 15.283 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.181 15.634 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.457 14.681 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.865 13.883 2.275 1.00 0.00 H new ATOM 667 N TYR A 47 5.675 13.664 1.057 1.00 0.00 N ATOM 668 CA TYR A 47 7.132 13.679 1.100 1.00 0.00 C ATOM 669 C TYR A 47 7.700 14.579 0.008 1.00 0.00 C ATOM 670 O TYR A 47 7.111 14.719 -1.064 1.00 0.00 O ATOM 671 CB TYR A 47 7.682 12.259 0.947 1.00 0.00 C ATOM 672 CG TYR A 47 7.368 11.628 -0.391 1.00 0.00 C ATOM 673 CD1 TYR A 47 7.900 12.144 -1.566 1.00 0.00 C ATOM 674 CD2 TYR A 47 6.542 10.514 -0.478 1.00 0.00 C ATOM 675 CE1 TYR A 47 7.616 11.569 -2.791 1.00 0.00 C ATOM 676 CE2 TYR A 47 6.254 9.933 -1.698 1.00 0.00 C ATOM 677 CZ TYR A 47 6.793 10.464 -2.850 1.00 0.00 C ATOM 678 OH TYR A 47 6.509 9.888 -4.067 1.00 0.00 O ATOM 0 H TYR A 47 5.270 14.209 0.296 1.00 0.00 H new ATOM 0 HA TYR A 47 7.438 14.077 2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.763 12.281 1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.273 11.633 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.546 13.008 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.118 10.095 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.036 11.983 -3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.610 9.067 -1.749 1.00 0.00 H new ATOM 0 HH TYR A 47 5.538 9.846 -4.190 1.00 0.00 H new ATOM 688 N GLY A 48 8.849 15.185 0.286 1.00 0.00 N ATOM 689 CA GLY A 48 9.478 16.063 -0.682 1.00 0.00 C ATOM 690 C GLY A 48 8.661 17.312 -0.950 1.00 0.00 C ATOM 691 O GLY A 48 7.703 17.602 -0.233 1.00 0.00 O ATOM 0 H GLY A 48 9.356 15.084 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.465 16.349 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.626 15.522 -1.617 1.00 0.00 H new ATOM 695 N GLY A 49 9.040 18.053 -1.986 1.00 0.00 N ATOM 696 CA GLY A 49 8.327 19.269 -2.330 1.00 0.00 C ATOM 697 C GLY A 49 8.658 20.419 -1.400 1.00 0.00 C ATOM 698 O GLY A 49 9.705 20.423 -0.754 1.00 0.00 O ATOM 0 H GLY A 49 9.829 17.833 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.571 19.552 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.254 19.078 -2.299 1.00 0.00 H new ATOM 702 N ASN A 50 7.761 21.398 -1.331 1.00 0.00 N ATOM 703 CA ASN A 50 7.962 22.560 -0.473 1.00 0.00 C ATOM 704 C ASN A 50 7.504 22.270 0.952 1.00 0.00 C ATOM 705 O ASN A 50 7.391 23.180 1.775 1.00 0.00 O ATOM 706 CB ASN A 50 7.204 23.768 -1.029 1.00 0.00 C ATOM 707 CG ASN A 50 6.944 23.651 -2.518 1.00 0.00 C ATOM 708 OD1 ASN A 50 7.774 23.137 -3.267 1.00 0.00 O ATOM 709 ND2 ASN A 50 5.785 24.132 -2.955 1.00 0.00 N ATOM 0 H ASN A 50 6.888 21.409 -1.859 1.00 0.00 H new ATOM 0 HA ASN A 50 9.028 22.786 -0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.254 23.871 -0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.776 24.675 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.554 24.083 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.126 24.550 -2.298 1.00 0.00 H new ATOM 716 N SER A 51 7.243 21.000 1.240 1.00 0.00 N ATOM 717 CA SER A 51 6.798 20.591 2.567 1.00 0.00 C ATOM 718 C SER A 51 7.926 19.905 3.330 1.00 0.00 C ATOM 719 O SER A 51 8.012 20.007 4.554 1.00 0.00 O ATOM 720 CB SER A 51 5.595 19.651 2.458 1.00 0.00 C ATOM 721 OG SER A 51 4.379 20.379 2.442 1.00 0.00 O ATOM 0 H SER A 51 7.332 20.235 0.571 1.00 0.00 H new ATOM 0 HA SER A 51 6.502 21.485 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.677 19.054 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.595 18.956 3.298 1.00 0.00 H new ATOM 0 HG SER A 51 3.737 19.931 1.852 1.00 0.00 H new ATOM 727 N ASN A 52 8.789 19.208 2.600 1.00 0.00 N ATOM 728 CA ASN A 52 9.913 18.505 3.208 1.00 0.00 C ATOM 729 C ASN A 52 9.427 17.361 4.094 1.00 0.00 C ATOM 730 O ASN A 52 10.206 16.766 4.838 1.00 0.00 O ATOM 731 CB ASN A 52 10.762 19.477 4.030 1.00 0.00 C ATOM 732 CG ASN A 52 11.820 18.768 4.853 1.00 0.00 C ATOM 733 OD1 ASN A 52 11.554 18.308 5.963 1.00 0.00 O ATOM 734 ND2 ASN A 52 13.029 18.679 4.311 1.00 0.00 N ATOM 0 H ASN A 52 8.732 19.114 1.586 1.00 0.00 H new ATOM 0 HA ASN A 52 10.523 18.085 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.244 20.190 3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.114 20.050 4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.782 18.215 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.204 19.075 3.388 1.00 0.00 H new ATOM 741 N GLY A 53 8.135 17.059 4.007 1.00 0.00 N ATOM 742 CA GLY A 53 7.570 15.987 4.805 1.00 0.00 C ATOM 743 C GLY A 53 6.465 16.469 5.724 1.00 0.00 C ATOM 744 O GLY A 53 6.506 16.234 6.932 1.00 0.00 O ATOM 0 H GLY A 53 7.470 17.537 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.177 15.214 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.359 15.527 5.400 1.00 0.00 H new ATOM 748 N GLU A 54 5.473 17.144 5.151 1.00 0.00 N ATOM 749 CA GLU A 54 4.352 17.659 5.927 1.00 0.00 C ATOM 750 C GLU A 54 3.023 17.196 5.337 1.00 0.00 C ATOM 751 O GLU A 54 2.966 16.726 4.200 1.00 0.00 O ATOM 752 CB GLU A 54 4.397 19.188 5.973 1.00 0.00 C ATOM 753 CG GLU A 54 5.222 19.738 7.125 1.00 0.00 C ATOM 754 CD GLU A 54 6.679 19.935 6.756 1.00 0.00 C ATOM 755 OE1 GLU A 54 7.392 18.924 6.590 1.00 0.00 O ATOM 756 OE2 GLU A 54 7.108 21.103 6.633 1.00 0.00 O ATOM 0 H GLU A 54 5.423 17.347 4.153 1.00 0.00 H new ATOM 0 HA GLU A 54 4.435 17.268 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.807 19.560 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.379 19.571 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.800 20.690 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.155 19.057 7.973 1.00 0.00 H new ATOM 763 N PRO A 55 1.936 17.324 6.110 1.00 0.00 N ATOM 764 CA PRO A 55 0.597 16.918 5.668 1.00 0.00 C ATOM 765 C PRO A 55 0.051 17.824 4.570 1.00 0.00 C ATOM 766 O PRO A 55 0.691 18.803 4.183 1.00 0.00 O ATOM 767 CB PRO A 55 -0.249 17.045 6.937 1.00 0.00 C ATOM 768 CG PRO A 55 0.463 18.055 7.768 1.00 0.00 C ATOM 769 CD PRO A 55 1.927 17.875 7.476 1.00 0.00 C ATOM 0 HA PRO A 55 0.595 15.917 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.264 17.368 6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.329 16.090 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.137 19.065 7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.255 17.905 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.467 18.820 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.398 17.196 8.187 1.00 0.00 H new ATOM 777 N CYS A 56 -1.135 17.493 4.072 1.00 0.00 N ATOM 778 CA CYS A 56 -1.766 18.277 3.017 1.00 0.00 C ATOM 779 C CYS A 56 -2.909 19.120 3.573 1.00 0.00 C ATOM 780 O CYS A 56 -3.165 19.121 4.777 1.00 0.00 O ATOM 781 CB CYS A 56 -2.288 17.357 1.911 1.00 0.00 C ATOM 782 SG CYS A 56 -1.129 17.130 0.525 1.00 0.00 S ATOM 0 H CYS A 56 -1.679 16.687 4.382 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.014 18.947 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.518 16.383 2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.223 17.764 1.526 1.00 0.00 H new ATOM 787 N VAL A 57 -3.590 19.837 2.686 1.00 0.00 N ATOM 788 CA VAL A 57 -4.704 20.688 3.085 1.00 0.00 C ATOM 789 C VAL A 57 -5.694 20.869 1.939 1.00 0.00 C ATOM 790 O VAL A 57 -5.491 21.702 1.056 1.00 0.00 O ATOM 791 CB VAL A 57 -4.213 22.072 3.549 1.00 0.00 C ATOM 792 CG1 VAL A 57 -5.173 22.665 4.568 1.00 0.00 C ATOM 793 CG2 VAL A 57 -2.806 21.974 4.121 1.00 0.00 C ATOM 0 H VAL A 57 -3.390 19.846 1.686 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.203 20.190 3.917 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.183 22.736 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.810 23.643 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.160 22.773 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.239 22.005 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.475 22.961 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.806 21.295 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.128 21.596 3.356 1.00 0.00 H new ATOM 803 N LEU A 58 -6.765 20.082 1.960 1.00 0.00 N ATOM 804 CA LEU A 58 -7.786 20.154 0.921 1.00 0.00 C ATOM 805 C LEU A 58 -9.141 20.525 1.518 1.00 0.00 C ATOM 806 O LEU A 58 -9.278 20.661 2.733 1.00 0.00 O ATOM 807 CB LEU A 58 -7.887 18.817 0.184 1.00 0.00 C ATOM 808 CG LEU A 58 -6.858 17.765 0.602 1.00 0.00 C ATOM 809 CD1 LEU A 58 -7.435 16.366 0.454 1.00 0.00 C ATOM 810 CD2 LEU A 58 -5.585 17.909 -0.219 1.00 0.00 C ATOM 0 H LEU A 58 -6.948 19.388 2.684 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.497 20.930 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.885 18.408 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.782 19.001 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.610 17.924 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.689 15.631 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.318 16.268 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.713 16.195 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.864 17.153 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.817 17.777 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.161 18.901 -0.062 1.00 0.00 H new ATOM 822 N PRO A 59 -10.165 20.693 0.665 1.00 0.00 N ATOM 823 CA PRO A 59 -10.033 20.537 -0.789 1.00 0.00 C ATOM 824 C PRO A 59 -9.054 21.537 -1.393 1.00 0.00 C ATOM 825 O PRO A 59 -8.938 22.669 -0.923 1.00 0.00 O ATOM 826 CB PRO A 59 -11.450 20.798 -1.317 1.00 0.00 C ATOM 827 CG PRO A 59 -12.344 20.626 -0.136 1.00 0.00 C ATOM 828 CD PRO A 59 -11.536 21.050 1.056 1.00 0.00 C ATOM 0 HA PRO A 59 -9.642 19.554 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.537 21.801 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.709 20.099 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.243 21.234 -0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.669 19.590 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.635 22.117 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.847 20.529 1.961 1.00 0.00 H new ATOM 836 N PHE A 60 -8.352 21.113 -2.439 1.00 0.00 N ATOM 837 CA PHE A 60 -7.382 21.974 -3.108 1.00 0.00 C ATOM 838 C PHE A 60 -7.528 21.881 -4.623 1.00 0.00 C ATOM 839 O PHE A 60 -7.202 20.859 -5.225 1.00 0.00 O ATOM 840 CB PHE A 60 -5.959 21.593 -2.695 1.00 0.00 C ATOM 841 CG PHE A 60 -5.420 20.397 -3.428 1.00 0.00 C ATOM 842 CD1 PHE A 60 -5.817 19.117 -3.077 1.00 0.00 C ATOM 843 CD2 PHE A 60 -4.517 20.555 -4.466 1.00 0.00 C ATOM 844 CE1 PHE A 60 -5.322 18.016 -3.749 1.00 0.00 C ATOM 845 CE2 PHE A 60 -4.019 19.457 -5.142 1.00 0.00 C ATOM 846 CZ PHE A 60 -4.422 18.186 -4.783 1.00 0.00 C ATOM 0 H PHE A 60 -8.436 20.180 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.576 23.003 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.299 22.443 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.942 21.390 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.521 18.978 -2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.198 21.547 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.639 17.023 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.315 19.593 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.034 17.327 -5.310 1.00 0.00 H new ATOM 856 N THR A 61 -8.021 22.954 -5.233 1.00 0.00 N ATOM 857 CA THR A 61 -8.212 22.997 -6.674 1.00 0.00 C ATOM 858 C THR A 61 -6.906 23.323 -7.394 1.00 0.00 C ATOM 859 O THR A 61 -6.035 23.995 -6.842 1.00 0.00 O ATOM 860 CB THR A 61 -9.270 24.045 -7.061 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.093 25.232 -6.280 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.675 23.501 -6.852 1.00 0.00 C ATOM 0 H THR A 61 -8.296 23.808 -4.747 1.00 0.00 H new ATOM 0 HA THR A 61 -8.554 22.008 -6.980 1.00 0.00 H new ATOM 0 HB THR A 61 -9.143 24.282 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.769 25.894 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.405 24.261 -7.133 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.818 22.615 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.811 23.237 -5.803 1.00 0.00 H new ATOM 870 N TYR A 62 -6.778 22.847 -8.629 1.00 0.00 N ATOM 871 CA TYR A 62 -5.579 23.094 -9.422 1.00 0.00 C ATOM 872 C TYR A 62 -5.860 22.905 -10.910 1.00 0.00 C ATOM 873 O TYR A 62 -6.385 21.874 -11.329 1.00 0.00 O ATOM 874 CB TYR A 62 -4.444 22.167 -8.977 1.00 0.00 C ATOM 875 CG TYR A 62 -3.375 21.966 -10.027 1.00 0.00 C ATOM 876 CD1 TYR A 62 -2.303 22.844 -10.130 1.00 0.00 C ATOM 877 CD2 TYR A 62 -3.436 20.899 -10.914 1.00 0.00 C ATOM 878 CE1 TYR A 62 -1.323 22.665 -11.088 1.00 0.00 C ATOM 879 CE2 TYR A 62 -2.460 20.712 -11.874 1.00 0.00 C ATOM 880 CZ TYR A 62 -1.406 21.597 -11.956 1.00 0.00 C ATOM 881 OH TYR A 62 -0.432 21.415 -12.912 1.00 0.00 O ATOM 0 H TYR A 62 -7.489 22.289 -9.101 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.274 24.128 -9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.984 22.576 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.863 21.197 -8.708 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.234 23.680 -9.450 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.260 20.204 -10.852 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.497 23.358 -11.156 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.522 19.877 -12.556 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.638 20.616 -13.441 1.00 0.00 H new ATOM 891 N ASN A 63 -5.511 23.916 -11.703 1.00 0.00 N ATOM 892 CA ASN A 63 -5.719 23.878 -13.149 1.00 0.00 C ATOM 893 C ASN A 63 -7.185 24.122 -13.517 1.00 0.00 C ATOM 894 O ASN A 63 -7.511 24.321 -14.688 1.00 0.00 O ATOM 895 CB ASN A 63 -5.235 22.537 -13.722 1.00 0.00 C ATOM 896 CG ASN A 63 -6.345 21.509 -13.861 1.00 0.00 C ATOM 897 OD1 ASN A 63 -7.356 21.756 -14.520 1.00 0.00 O ATOM 898 ND2 ASN A 63 -6.160 20.350 -13.241 1.00 0.00 N ATOM 0 H ASN A 63 -5.080 24.777 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.133 24.684 -13.590 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.783 22.709 -14.699 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.454 22.134 -13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.871 19.621 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.307 20.188 -12.706 1.00 0.00 H new ATOM 905 N GLY A 64 -8.064 24.100 -12.521 1.00 0.00 N ATOM 906 CA GLY A 64 -9.475 24.313 -12.773 1.00 0.00 C ATOM 907 C GLY A 64 -10.325 23.196 -12.205 1.00 0.00 C ATOM 908 O GLY A 64 -11.552 23.224 -12.306 1.00 0.00 O ATOM 0 H GLY A 64 -7.823 23.938 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.783 25.262 -12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.645 24.388 -13.847 1.00 0.00 H new ATOM 912 N ARG A 65 -9.668 22.208 -11.605 1.00 0.00 N ATOM 913 CA ARG A 65 -10.365 21.073 -11.018 1.00 0.00 C ATOM 914 C ARG A 65 -10.165 21.052 -9.502 1.00 0.00 C ATOM 915 O ARG A 65 -9.138 21.504 -8.997 1.00 0.00 O ATOM 916 CB ARG A 65 -9.868 19.767 -11.666 1.00 0.00 C ATOM 917 CG ARG A 65 -9.297 18.743 -10.696 1.00 0.00 C ATOM 918 CD ARG A 65 -10.390 17.889 -10.074 1.00 0.00 C ATOM 919 NE ARG A 65 -10.949 16.935 -11.028 1.00 0.00 N ATOM 920 CZ ARG A 65 -11.535 15.797 -10.672 1.00 0.00 C ATOM 921 NH1 ARG A 65 -11.639 15.475 -9.390 1.00 0.00 N ATOM 922 NH2 ARG A 65 -12.020 14.981 -11.597 1.00 0.00 N ATOM 0 H ARG A 65 -8.653 22.172 -11.513 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.434 21.167 -11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.696 19.310 -12.207 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.103 20.013 -12.403 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.587 18.102 -11.219 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.743 19.256 -9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.985 17.350 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.184 18.534 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.886 17.154 -12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.269 16.101 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.089 14.601 -9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.944 15.226 -12.584 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.470 14.108 -11.322 1.00 0.00 H new ATOM 936 N THR A 66 -11.151 20.525 -8.785 1.00 0.00 N ATOM 937 CA THR A 66 -11.076 20.447 -7.332 1.00 0.00 C ATOM 938 C THR A 66 -10.597 19.071 -6.881 1.00 0.00 C ATOM 939 O THR A 66 -11.295 18.072 -7.055 1.00 0.00 O ATOM 940 CB THR A 66 -12.439 20.742 -6.680 1.00 0.00 C ATOM 941 OG1 THR A 66 -13.049 21.876 -7.311 1.00 0.00 O ATOM 942 CG2 THR A 66 -12.281 21.010 -5.191 1.00 0.00 C ATOM 0 H THR A 66 -12.009 20.146 -9.185 1.00 0.00 H new ATOM 0 HA THR A 66 -10.359 21.203 -7.012 1.00 0.00 H new ATOM 0 HB THR A 66 -13.075 19.867 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.916 22.056 -6.892 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.258 21.216 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.844 20.136 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.628 21.871 -5.043 1.00 0.00 H new ATOM 950 N PHE A 67 -9.402 19.028 -6.303 1.00 0.00 N ATOM 951 CA PHE A 67 -8.826 17.776 -5.829 1.00 0.00 C ATOM 952 C PHE A 67 -9.010 17.626 -4.322 1.00 0.00 C ATOM 953 O PHE A 67 -8.636 18.508 -3.550 1.00 0.00 O ATOM 954 CB PHE A 67 -7.338 17.712 -6.181 1.00 0.00 C ATOM 955 CG PHE A 67 -7.042 18.095 -7.603 1.00 0.00 C ATOM 956 CD1 PHE A 67 -6.890 19.425 -7.958 1.00 0.00 C ATOM 957 CD2 PHE A 67 -6.916 17.124 -8.585 1.00 0.00 C ATOM 958 CE1 PHE A 67 -6.618 19.782 -9.264 1.00 0.00 C ATOM 959 CE2 PHE A 67 -6.644 17.476 -9.893 1.00 0.00 C ATOM 960 CZ PHE A 67 -6.496 18.806 -10.234 1.00 0.00 C ATOM 0 H PHE A 67 -8.813 19.847 -6.151 1.00 0.00 H new ATOM 0 HA PHE A 67 -9.347 16.956 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.786 18.373 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.974 16.700 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.985 20.192 -7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.032 16.082 -8.325 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.501 20.823 -9.527 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.547 16.711 -10.649 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.285 19.082 -11.257 1.00 0.00 H new ATOM 970 N TYR A 68 -9.589 16.502 -3.912 1.00 0.00 N ATOM 971 CA TYR A 68 -9.821 16.234 -2.498 1.00 0.00 C ATOM 972 C TYR A 68 -8.778 15.267 -1.949 1.00 0.00 C ATOM 973 O TYR A 68 -8.931 14.728 -0.853 1.00 0.00 O ATOM 974 CB TYR A 68 -11.225 15.660 -2.290 1.00 0.00 C ATOM 975 CG TYR A 68 -12.328 16.683 -2.443 1.00 0.00 C ATOM 976 CD1 TYR A 68 -12.722 17.124 -3.700 1.00 0.00 C ATOM 977 CD2 TYR A 68 -12.974 17.207 -1.332 1.00 0.00 C ATOM 978 CE1 TYR A 68 -13.729 18.058 -3.845 1.00 0.00 C ATOM 979 CE2 TYR A 68 -13.983 18.142 -1.468 1.00 0.00 C ATOM 980 CZ TYR A 68 -14.356 18.565 -2.727 1.00 0.00 C ATOM 981 OH TYR A 68 -15.360 19.496 -2.866 1.00 0.00 O ATOM 0 H TYR A 68 -9.906 15.763 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.737 17.176 -1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.388 14.853 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.285 15.220 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.233 16.730 -4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.684 16.879 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.024 18.390 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.477 18.539 -0.593 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.696 19.749 -1.981 1.00 0.00 H new ATOM 991 N SER A 69 -7.715 15.054 -2.717 1.00 0.00 N ATOM 992 CA SER A 69 -6.644 14.152 -2.310 1.00 0.00 C ATOM 993 C SER A 69 -5.463 14.242 -3.270 1.00 0.00 C ATOM 994 O SER A 69 -5.462 15.055 -4.195 1.00 0.00 O ATOM 995 CB SER A 69 -7.157 12.712 -2.248 1.00 0.00 C ATOM 996 OG SER A 69 -8.311 12.546 -3.053 1.00 0.00 O ATOM 0 H SER A 69 -7.572 15.494 -3.626 1.00 0.00 H new ATOM 0 HA SER A 69 -6.307 14.453 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.375 12.030 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.389 12.450 -1.216 1.00 0.00 H new ATOM 0 HG SER A 69 -8.618 11.617 -2.997 1.00 0.00 H new ATOM 1002 N CYS A 70 -4.458 13.402 -3.047 1.00 0.00 N ATOM 1003 CA CYS A 70 -3.271 13.388 -3.892 1.00 0.00 C ATOM 1004 C CYS A 70 -3.631 13.022 -5.329 1.00 0.00 C ATOM 1005 O CYS A 70 -4.541 12.229 -5.568 1.00 0.00 O ATOM 1006 CB CYS A 70 -2.240 12.400 -3.345 1.00 0.00 C ATOM 1007 SG CYS A 70 -1.457 12.930 -1.787 1.00 0.00 S ATOM 0 H CYS A 70 -4.442 12.722 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.841 14.390 -3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.724 11.436 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.464 12.248 -4.096 1.00 0.00 H new ATOM 1012 N THR A 71 -2.910 13.605 -6.281 1.00 0.00 N ATOM 1013 CA THR A 71 -3.153 13.341 -7.693 1.00 0.00 C ATOM 1014 C THR A 71 -1.853 13.382 -8.491 1.00 0.00 C ATOM 1015 O THR A 71 -0.850 13.930 -8.034 1.00 0.00 O ATOM 1016 CB THR A 71 -4.142 14.357 -8.294 1.00 0.00 C ATOM 1017 OG1 THR A 71 -4.686 13.848 -9.518 1.00 0.00 O ATOM 1018 CG2 THR A 71 -3.456 15.690 -8.554 1.00 0.00 C ATOM 0 H THR A 71 -2.153 14.264 -6.099 1.00 0.00 H new ATOM 0 HA THR A 71 -3.586 12.343 -7.757 1.00 0.00 H new ATOM 0 HB THR A 71 -4.948 14.514 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.315 14.500 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.174 16.392 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.069 16.089 -7.616 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.633 15.545 -9.254 1.00 0.00 H new ATOM 1026 N THR A 72 -1.880 12.801 -9.685 1.00 0.00 N ATOM 1027 CA THR A 72 -0.705 12.772 -10.548 1.00 0.00 C ATOM 1028 C THR A 72 -0.809 13.817 -11.653 1.00 0.00 C ATOM 1029 O THR A 72 -0.010 13.826 -12.590 1.00 0.00 O ATOM 1030 CB THR A 72 -0.510 11.384 -11.186 1.00 0.00 C ATOM 1031 OG1 THR A 72 -1.782 10.790 -11.468 1.00 0.00 O ATOM 1032 CG2 THR A 72 0.289 10.472 -10.266 1.00 0.00 C ATOM 0 H THR A 72 -2.703 12.344 -10.078 1.00 0.00 H new ATOM 0 HA THR A 72 0.155 12.998 -9.918 1.00 0.00 H new ATOM 0 HB THR A 72 0.044 11.512 -12.116 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.648 9.909 -11.875 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.414 9.498 -10.738 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.268 10.912 -10.078 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.242 10.352 -9.322 1.00 0.00 H new ATOM 1040 N GLU A 73 -1.799 14.696 -11.539 1.00 0.00 N ATOM 1041 CA GLU A 73 -2.006 15.746 -12.530 1.00 0.00 C ATOM 1042 C GLU A 73 -0.870 16.762 -12.493 1.00 0.00 C ATOM 1043 O GLU A 73 -0.900 17.714 -11.714 1.00 0.00 O ATOM 1044 CB GLU A 73 -3.343 16.450 -12.284 1.00 0.00 C ATOM 1045 CG GLU A 73 -4.246 16.486 -13.506 1.00 0.00 C ATOM 1046 CD GLU A 73 -3.467 16.599 -14.803 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -2.605 17.497 -14.901 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -3.722 15.789 -15.719 1.00 0.00 O ATOM 0 H GLU A 73 -2.470 14.702 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.022 15.282 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.866 15.945 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.151 17.471 -11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.855 15.583 -13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.931 17.330 -13.423 1.00 0.00 H new ATOM 1055 N GLY A 74 0.132 16.552 -13.342 1.00 0.00 N ATOM 1056 CA GLY A 74 1.263 17.458 -13.390 1.00 0.00 C ATOM 1057 C GLY A 74 2.591 16.730 -13.331 1.00 0.00 C ATOM 1058 O GLY A 74 3.584 17.188 -13.899 1.00 0.00 O ATOM 0 H GLY A 74 0.180 15.771 -13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.215 18.046 -14.306 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.199 18.159 -12.558 1.00 0.00 H new ATOM 1062 N ARG A 75 2.611 15.594 -12.641 1.00 0.00 N ATOM 1063 CA ARG A 75 3.828 14.801 -12.511 1.00 0.00 C ATOM 1064 C ARG A 75 4.134 14.056 -13.806 1.00 0.00 C ATOM 1065 O ARG A 75 3.238 13.792 -14.607 1.00 0.00 O ATOM 1066 CB ARG A 75 3.694 13.807 -11.356 1.00 0.00 C ATOM 1067 CG ARG A 75 3.725 14.460 -9.984 1.00 0.00 C ATOM 1068 CD ARG A 75 5.133 14.484 -9.409 1.00 0.00 C ATOM 1069 NE ARG A 75 6.152 14.464 -10.455 1.00 0.00 N ATOM 1070 CZ ARG A 75 6.622 15.559 -11.046 1.00 0.00 C ATOM 1071 NH1 ARG A 75 6.165 16.752 -10.695 1.00 0.00 N ATOM 1072 NH2 ARG A 75 7.549 15.458 -11.988 1.00 0.00 N ATOM 0 H ARG A 75 1.799 15.202 -12.164 1.00 0.00 H new ATOM 0 HA ARG A 75 4.653 15.481 -12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.759 13.258 -11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.501 13.077 -11.420 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.343 15.478 -10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.064 13.919 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.259 15.377 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.271 13.625 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 75 6.524 13.561 -10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.452 16.832 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.527 17.591 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.902 14.540 -12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.909 16.298 -12.441 1.00 0.00 H new ATOM 1086 N GLN A 76 5.404 13.720 -14.003 1.00 0.00 N ATOM 1087 CA GLN A 76 5.828 13.004 -15.201 1.00 0.00 C ATOM 1088 C GLN A 76 6.721 11.821 -14.840 1.00 0.00 C ATOM 1089 O GLN A 76 7.659 11.495 -15.566 1.00 0.00 O ATOM 1090 CB GLN A 76 6.570 13.947 -16.148 1.00 0.00 C ATOM 1091 CG GLN A 76 5.761 15.170 -16.548 1.00 0.00 C ATOM 1092 CD GLN A 76 6.174 15.729 -17.895 1.00 0.00 C ATOM 1093 OE1 GLN A 76 6.159 15.024 -18.904 1.00 0.00 O ATOM 1094 NE2 GLN A 76 6.549 17.003 -17.917 1.00 0.00 N ATOM 0 H GLN A 76 6.158 13.932 -13.349 1.00 0.00 H new ATOM 0 HA GLN A 76 4.937 12.625 -15.702 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.494 14.273 -15.671 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.851 13.398 -17.047 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.703 14.908 -16.577 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.877 15.942 -15.788 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.546 17.550 -17.056 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.840 17.434 -18.795 1.00 0.00 H new ATOM 1103 N ASP A 77 6.420 11.182 -13.714 1.00 0.00 N ATOM 1104 CA ASP A 77 7.195 10.035 -13.256 1.00 0.00 C ATOM 1105 C ASP A 77 6.298 9.010 -12.573 1.00 0.00 C ATOM 1106 O ASP A 77 5.827 8.063 -13.203 1.00 0.00 O ATOM 1107 CB ASP A 77 8.297 10.487 -12.295 1.00 0.00 C ATOM 1108 CG ASP A 77 7.987 11.823 -11.649 1.00 0.00 C ATOM 1109 OD1 ASP A 77 6.814 12.050 -11.288 1.00 0.00 O ATOM 1110 OD2 ASP A 77 8.919 12.641 -11.502 1.00 0.00 O ATOM 0 H ASP A 77 5.645 11.439 -13.102 1.00 0.00 H new ATOM 0 HA ASP A 77 7.653 9.567 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.430 9.733 -11.519 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.241 10.558 -12.836 1.00 0.00 H new ATOM 1115 N GLY A 78 6.065 9.206 -11.281 1.00 0.00 N ATOM 1116 CA GLY A 78 5.224 8.293 -10.530 1.00 0.00 C ATOM 1117 C GLY A 78 4.694 8.909 -9.251 1.00 0.00 C ATOM 1118 O GLY A 78 3.489 8.889 -8.998 1.00 0.00 O ATOM 0 H GLY A 78 6.444 9.982 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.386 7.981 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.793 7.396 -10.288 1.00 0.00 H new ATOM 1122 N HIS A 79 5.595 9.459 -8.443 1.00 0.00 N ATOM 1123 CA HIS A 79 5.211 10.084 -7.182 1.00 0.00 C ATOM 1124 C HIS A 79 4.075 11.079 -7.393 1.00 0.00 C ATOM 1125 O HIS A 79 4.127 11.913 -8.297 1.00 0.00 O ATOM 1126 CB HIS A 79 6.412 10.788 -6.551 1.00 0.00 C ATOM 1127 CG HIS A 79 7.006 11.856 -7.417 1.00 0.00 C ATOM 1128 ND1 HIS A 79 7.398 13.087 -6.933 1.00 0.00 N ATOM 1129 CD2 HIS A 79 7.274 11.873 -8.745 1.00 0.00 C ATOM 1130 CE1 HIS A 79 7.881 13.814 -7.924 1.00 0.00 C ATOM 1131 NE2 HIS A 79 7.817 13.100 -9.033 1.00 0.00 N ATOM 0 H HIS A 79 6.596 9.485 -8.639 1.00 0.00 H new ATOM 0 HA HIS A 79 4.864 9.301 -6.508 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.106 11.230 -5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.179 10.047 -6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.094 11.071 -9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.263 14.821 -7.842 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.122 13.411 -9.955 1.00 0.00 H new ATOM 1140 N LEU A 80 3.050 10.986 -6.552 1.00 0.00 N ATOM 1141 CA LEU A 80 1.901 11.879 -6.646 1.00 0.00 C ATOM 1142 C LEU A 80 2.163 13.183 -5.901 1.00 0.00 C ATOM 1143 O LEU A 80 2.945 13.221 -4.950 1.00 0.00 O ATOM 1144 CB LEU A 80 0.652 11.199 -6.082 1.00 0.00 C ATOM 1145 CG LEU A 80 -0.062 10.255 -7.050 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -0.183 8.864 -6.446 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -1.434 10.802 -7.413 1.00 0.00 C ATOM 0 H LEU A 80 2.992 10.301 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 80 1.737 12.109 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.933 10.637 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.051 11.969 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 80 0.531 10.183 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.694 8.205 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.812 8.470 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.754 8.918 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.928 10.117 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.036 10.904 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.323 11.777 -7.887 1.00 0.00 H new ATOM 1159 N TRP A 81 1.504 14.251 -6.337 1.00 0.00 N ATOM 1160 CA TRP A 81 1.663 15.558 -5.712 1.00 0.00 C ATOM 1161 C TRP A 81 0.347 16.031 -5.105 1.00 0.00 C ATOM 1162 O TRP A 81 -0.730 15.622 -5.538 1.00 0.00 O ATOM 1163 CB TRP A 81 2.164 16.579 -6.735 1.00 0.00 C ATOM 1164 CG TRP A 81 1.102 17.040 -7.683 1.00 0.00 C ATOM 1165 CD1 TRP A 81 0.577 16.340 -8.731 1.00 0.00 C ATOM 1166 CD2 TRP A 81 0.434 18.307 -7.671 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -0.376 17.094 -9.371 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -0.483 18.306 -8.739 1.00 0.00 C ATOM 1169 CE3 TRP A 81 0.522 19.442 -6.860 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -1.305 19.394 -9.017 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -0.295 20.523 -7.137 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -1.199 20.492 -8.207 1.00 0.00 C ATOM 0 H TRP A 81 0.853 14.237 -7.122 1.00 0.00 H new ATOM 0 HA TRP A 81 2.399 15.466 -4.913 1.00 0.00 H new ATOM 0 HB2 TRP A 81 2.569 17.442 -6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 81 2.983 16.140 -7.304 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.868 15.340 -9.015 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.916 16.800 -10.185 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.215 19.474 -6.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -2.001 19.373 -9.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -0.235 21.406 -6.518 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -1.825 21.352 -8.396 1.00 0.00 H new ATOM 1183 N CYS A 82 0.440 16.894 -4.098 1.00 0.00 N ATOM 1184 CA CYS A 82 -0.746 17.419 -3.431 1.00 0.00 C ATOM 1185 C CYS A 82 -0.439 18.742 -2.736 1.00 0.00 C ATOM 1186 O CYS A 82 0.691 18.985 -2.310 1.00 0.00 O ATOM 1187 CB CYS A 82 -1.274 16.402 -2.416 1.00 0.00 C ATOM 1188 SG CYS A 82 -2.328 17.119 -1.113 1.00 0.00 S ATOM 0 H CYS A 82 1.323 17.244 -3.727 1.00 0.00 H new ATOM 0 HA CYS A 82 -1.511 17.599 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -1.842 15.638 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.427 15.901 -1.947 1.00 0.00 H new ATOM 1193 N SER A 83 -1.454 19.594 -2.623 1.00 0.00 N ATOM 1194 CA SER A 83 -1.295 20.892 -1.978 1.00 0.00 C ATOM 1195 C SER A 83 -1.195 20.738 -0.464 1.00 0.00 C ATOM 1196 O SER A 83 -1.714 19.778 0.107 1.00 0.00 O ATOM 1197 CB SER A 83 -2.467 21.808 -2.333 1.00 0.00 C ATOM 1198 OG SER A 83 -3.619 21.480 -1.575 1.00 0.00 O ATOM 0 H SER A 83 -2.395 19.408 -2.970 1.00 0.00 H new ATOM 0 HA SER A 83 -0.370 21.340 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.190 22.846 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.691 21.722 -3.396 1.00 0.00 H new ATOM 0 HG SER A 83 -4.009 20.648 -1.916 1.00 0.00 H new ATOM 1204 N THR A 84 -0.525 21.687 0.181 1.00 0.00 N ATOM 1205 CA THR A 84 -0.358 21.653 1.628 1.00 0.00 C ATOM 1206 C THR A 84 -0.907 22.919 2.278 1.00 0.00 C ATOM 1207 O THR A 84 -0.387 23.383 3.293 1.00 0.00 O ATOM 1208 CB THR A 84 1.123 21.492 2.020 1.00 0.00 C ATOM 1209 OG1 THR A 84 1.942 22.335 1.200 1.00 0.00 O ATOM 1210 CG2 THR A 84 1.568 20.045 1.869 1.00 0.00 C ATOM 0 H THR A 84 -0.089 22.488 -0.276 1.00 0.00 H new ATOM 0 HA THR A 84 -0.919 20.790 1.988 1.00 0.00 H new ATOM 0 HB THR A 84 1.233 21.783 3.065 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.703 22.662 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.617 19.956 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.963 19.409 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.443 19.732 0.832 1.00 0.00 H new ATOM 1218 N THR A 85 -1.959 23.474 1.686 1.00 0.00 N ATOM 1219 CA THR A 85 -2.578 24.686 2.209 1.00 0.00 C ATOM 1220 C THR A 85 -3.943 24.928 1.573 1.00 0.00 C ATOM 1221 O THR A 85 -4.089 24.862 0.352 1.00 0.00 O ATOM 1222 CB THR A 85 -1.688 25.920 1.968 1.00 0.00 C ATOM 1223 OG1 THR A 85 -1.057 25.827 0.685 1.00 0.00 O ATOM 1224 CG2 THR A 85 -0.627 26.041 3.051 1.00 0.00 C ATOM 0 H THR A 85 -2.401 23.104 0.844 1.00 0.00 H new ATOM 0 HA THR A 85 -2.702 24.538 3.282 1.00 0.00 H new ATOM 0 HB THR A 85 -2.320 26.807 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.545 26.645 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.011 26.919 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.109 26.141 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.000 25.150 3.047 1.00 0.00 H new ATOM 1232 N SER A 86 -4.938 25.211 2.407 1.00 0.00 N ATOM 1233 CA SER A 86 -6.290 25.465 1.923 1.00 0.00 C ATOM 1234 C SER A 86 -6.253 26.228 0.603 1.00 0.00 C ATOM 1235 O SER A 86 -6.920 25.853 -0.361 1.00 0.00 O ATOM 1236 CB SER A 86 -7.087 26.256 2.962 1.00 0.00 C ATOM 1237 OG SER A 86 -8.168 26.946 2.359 1.00 0.00 O ATOM 0 H SER A 86 -4.834 25.270 3.420 1.00 0.00 H new ATOM 0 HA SER A 86 -6.780 24.505 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.466 25.578 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.431 26.968 3.463 1.00 0.00 H new ATOM 0 HG SER A 86 -8.662 27.442 3.044 1.00 0.00 H new ATOM 1243 N ASN A 87 -5.465 27.296 0.568 1.00 0.00 N ATOM 1244 CA ASN A 87 -5.334 28.111 -0.634 1.00 0.00 C ATOM 1245 C ASN A 87 -4.083 27.719 -1.413 1.00 0.00 C ATOM 1246 O ASN A 87 -2.982 28.187 -1.118 1.00 0.00 O ATOM 1247 CB ASN A 87 -5.282 29.595 -0.266 1.00 0.00 C ATOM 1248 CG ASN A 87 -6.425 30.008 0.640 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -6.209 30.561 1.718 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -7.651 29.739 0.206 1.00 0.00 N ATOM 0 H ASN A 87 -4.907 27.618 1.359 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.205 27.935 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.335 29.811 0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.310 30.193 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.460 29.992 0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.784 29.279 -0.695 1.00 0.00 H new ATOM 1257 N TYR A 88 -4.260 26.852 -2.405 1.00 0.00 N ATOM 1258 CA TYR A 88 -3.147 26.388 -3.224 1.00 0.00 C ATOM 1259 C TYR A 88 -2.457 27.550 -3.931 1.00 0.00 C ATOM 1260 O TYR A 88 -1.420 28.033 -3.480 1.00 0.00 O ATOM 1261 CB TYR A 88 -3.637 25.371 -4.256 1.00 0.00 C ATOM 1262 CG TYR A 88 -2.607 25.034 -5.310 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -1.435 24.370 -4.974 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -2.807 25.381 -6.640 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -0.490 24.061 -5.935 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -1.868 25.074 -7.606 1.00 0.00 C ATOM 1267 CZ TYR A 88 -0.711 24.415 -7.248 1.00 0.00 C ATOM 1268 OH TYR A 88 0.226 24.108 -8.208 1.00 0.00 O ATOM 0 H TYR A 88 -5.165 26.457 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.423 25.912 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.931 24.456 -3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.529 25.762 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.259 24.090 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.711 25.899 -6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.417 23.545 -5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.039 25.349 -8.636 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.218 23.699 -8.980 1.00 0.00 H new ATOM 1278 N GLU A 89 -3.037 27.990 -5.041 1.00 0.00 N ATOM 1279 CA GLU A 89 -2.472 29.090 -5.816 1.00 0.00 C ATOM 1280 C GLU A 89 -2.039 30.236 -4.906 1.00 0.00 C ATOM 1281 O GLU A 89 -1.161 31.023 -5.260 1.00 0.00 O ATOM 1282 CB GLU A 89 -3.490 29.595 -6.839 1.00 0.00 C ATOM 1283 CG GLU A 89 -3.996 28.514 -7.779 1.00 0.00 C ATOM 1284 CD GLU A 89 -4.828 29.072 -8.917 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -4.677 30.271 -9.230 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -5.631 28.309 -9.495 1.00 0.00 O ATOM 0 H GLU A 89 -3.899 27.602 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.593 28.716 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.338 30.031 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.036 30.393 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.147 27.968 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.593 27.798 -7.215 1.00 0.00 H new ATOM 1293 N GLN A 90 -2.656 30.325 -3.734 1.00 0.00 N ATOM 1294 CA GLN A 90 -2.331 31.377 -2.778 1.00 0.00 C ATOM 1295 C GLN A 90 -0.873 31.283 -2.337 1.00 0.00 C ATOM 1296 O GLN A 90 -0.113 32.242 -2.468 1.00 0.00 O ATOM 1297 CB GLN A 90 -3.249 31.288 -1.558 1.00 0.00 C ATOM 1298 CG GLN A 90 -2.838 32.206 -0.419 1.00 0.00 C ATOM 1299 CD GLN A 90 -3.936 32.385 0.610 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -5.145 32.673 0.143 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 -3.701 32.266 1.813 1.00 0.00 N flip ATOM 0 H GLN A 90 -3.384 29.682 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.482 32.338 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.267 31.532 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.262 30.259 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.951 31.800 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.562 33.180 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.757 32.044 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.451 32.390 2.494 1.00 0.00 H new ATOM 1310 N ASP A 91 -0.489 30.123 -1.812 1.00 0.00 N ATOM 1311 CA ASP A 91 0.879 29.911 -1.350 1.00 0.00 C ATOM 1312 C ASP A 91 1.591 28.865 -2.203 1.00 0.00 C ATOM 1313 O ASP A 91 2.698 28.435 -1.877 1.00 0.00 O ATOM 1314 CB ASP A 91 0.881 29.475 0.116 1.00 0.00 C ATOM 1315 CG ASP A 91 1.526 30.504 1.024 1.00 0.00 C ATOM 1316 OD1 ASP A 91 1.712 31.656 0.578 1.00 0.00 O ATOM 1317 OD2 ASP A 91 1.845 30.157 2.181 1.00 0.00 O ATOM 0 H ASP A 91 -1.104 29.318 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 91 1.416 30.855 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.144 29.299 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.412 28.528 0.210 1.00 0.00 H new ATOM 1322 N GLN A 92 0.951 28.462 -3.296 1.00 0.00 N ATOM 1323 CA GLN A 92 1.523 27.466 -4.197 1.00 0.00 C ATOM 1324 C GLN A 92 2.319 26.420 -3.423 1.00 0.00 C ATOM 1325 O GLN A 92 3.476 26.145 -3.740 1.00 0.00 O ATOM 1326 CB GLN A 92 2.419 28.142 -5.236 1.00 0.00 C ATOM 1327 CG GLN A 92 3.180 27.162 -6.114 1.00 0.00 C ATOM 1328 CD GLN A 92 2.801 27.276 -7.578 1.00 0.00 C ATOM 1329 OE1 GLN A 92 3.640 27.577 -8.426 1.00 0.00 O ATOM 1330 NE2 GLN A 92 1.530 27.036 -7.880 1.00 0.00 N ATOM 0 H GLN A 92 0.035 28.810 -3.580 1.00 0.00 H new ATOM 0 HA GLN A 92 0.702 26.963 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.806 28.784 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.132 28.787 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.250 27.337 -6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.987 26.146 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.869 26.789 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.215 27.098 -8.848 1.00 0.00 H new ATOM 1339 N LYS A 93 1.691 25.841 -2.405 1.00 0.00 N ATOM 1340 CA LYS A 93 2.338 24.824 -1.584 1.00 0.00 C ATOM 1341 C LYS A 93 1.806 23.435 -1.923 1.00 0.00 C ATOM 1342 O LYS A 93 0.649 23.282 -2.316 1.00 0.00 O ATOM 1343 CB LYS A 93 2.118 25.120 -0.100 1.00 0.00 C ATOM 1344 CG LYS A 93 2.905 26.318 0.404 1.00 0.00 C ATOM 1345 CD LYS A 93 4.208 25.893 1.061 1.00 0.00 C ATOM 1346 CE LYS A 93 4.403 26.573 2.406 1.00 0.00 C ATOM 1347 NZ LYS A 93 4.157 28.040 2.329 1.00 0.00 N ATOM 0 H LYS A 93 0.734 26.059 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 93 3.407 24.846 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.056 25.294 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.396 24.242 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.118 26.990 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.301 26.876 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.213 24.811 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.044 26.136 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.728 26.130 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.418 26.393 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.771 28.531 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.366 28.377 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.161 28.237 2.556 1.00 0.00 H new ATOM 1361 N TYR A 94 2.657 22.426 -1.769 1.00 0.00 N ATOM 1362 CA TYR A 94 2.268 21.050 -2.061 1.00 0.00 C ATOM 1363 C TYR A 94 3.251 20.061 -1.445 1.00 0.00 C ATOM 1364 O TYR A 94 4.155 20.446 -0.704 1.00 0.00 O ATOM 1365 CB TYR A 94 2.192 20.833 -3.574 1.00 0.00 C ATOM 1366 CG TYR A 94 3.468 21.186 -4.302 1.00 0.00 C ATOM 1367 CD1 TYR A 94 4.653 20.513 -4.031 1.00 0.00 C ATOM 1368 CD2 TYR A 94 3.490 22.193 -5.258 1.00 0.00 C ATOM 1369 CE1 TYR A 94 5.824 20.833 -4.693 1.00 0.00 C ATOM 1370 CE2 TYR A 94 4.656 22.519 -5.925 1.00 0.00 C ATOM 1371 CZ TYR A 94 5.820 21.836 -5.639 1.00 0.00 C ATOM 1372 OH TYR A 94 6.982 22.158 -6.300 1.00 0.00 O ATOM 0 H TYR A 94 3.618 22.534 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 94 1.285 20.876 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.949 19.789 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.376 21.432 -3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.660 19.727 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.581 22.730 -5.484 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.737 20.300 -4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.656 23.304 -6.666 1.00 0.00 H new ATOM 0 HH TYR A 94 6.807 22.885 -6.934 1.00 0.00 H new ATOM 1382 N SER A 95 3.068 18.783 -1.760 1.00 0.00 N ATOM 1383 CA SER A 95 3.936 17.733 -1.241 1.00 0.00 C ATOM 1384 C SER A 95 3.748 16.439 -2.027 1.00 0.00 C ATOM 1385 O SER A 95 2.621 16.020 -2.290 1.00 0.00 O ATOM 1386 CB SER A 95 3.648 17.489 0.242 1.00 0.00 C ATOM 1387 OG SER A 95 3.678 18.702 0.973 1.00 0.00 O ATOM 0 H SER A 95 2.325 18.449 -2.374 1.00 0.00 H new ATOM 0 HA SER A 95 4.970 18.061 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.672 17.018 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.385 16.797 0.650 1.00 0.00 H new ATOM 0 HG SER A 95 4.269 19.341 0.523 1.00 0.00 H new ATOM 1393 N PHE A 96 4.858 15.811 -2.400 1.00 0.00 N ATOM 1394 CA PHE A 96 4.812 14.566 -3.159 1.00 0.00 C ATOM 1395 C PHE A 96 4.417 13.396 -2.265 1.00 0.00 C ATOM 1396 O PHE A 96 5.117 13.068 -1.308 1.00 0.00 O ATOM 1397 CB PHE A 96 6.168 14.290 -3.808 1.00 0.00 C ATOM 1398 CG PHE A 96 6.912 15.535 -4.195 1.00 0.00 C ATOM 1399 CD1 PHE A 96 6.229 16.648 -4.657 1.00 0.00 C ATOM 1400 CD2 PHE A 96 8.292 15.593 -4.096 1.00 0.00 C ATOM 1401 CE1 PHE A 96 6.909 17.796 -5.013 1.00 0.00 C ATOM 1402 CE2 PHE A 96 8.978 16.738 -4.451 1.00 0.00 C ATOM 1403 CZ PHE A 96 8.286 17.841 -4.910 1.00 0.00 C ATOM 0 H PHE A 96 5.799 16.143 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 96 4.058 14.674 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.781 13.710 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.019 13.675 -4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.153 16.618 -4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.838 14.733 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.365 18.657 -5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.054 16.770 -4.370 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.820 18.737 -5.188 1.00 0.00 H new ATOM 1413 N CYS A 97 3.290 12.769 -2.585 1.00 0.00 N ATOM 1414 CA CYS A 97 2.801 11.633 -1.814 1.00 0.00 C ATOM 1415 C CYS A 97 3.349 10.324 -2.371 1.00 0.00 C ATOM 1416 O CYS A 97 4.221 10.325 -3.239 1.00 0.00 O ATOM 1417 CB CYS A 97 1.270 11.602 -1.823 1.00 0.00 C ATOM 1418 SG CYS A 97 0.495 13.184 -2.286 1.00 0.00 S ATOM 0 H CYS A 97 2.698 13.029 -3.374 1.00 0.00 H new ATOM 0 HA CYS A 97 3.149 11.746 -0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 97 0.937 10.830 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.918 11.313 -0.833 1.00 0.00 H new ATOM 1423 N THR A 98 2.830 9.210 -1.866 1.00 0.00 N ATOM 1424 CA THR A 98 3.267 7.894 -2.316 1.00 0.00 C ATOM 1425 C THR A 98 2.501 7.458 -3.559 1.00 0.00 C ATOM 1426 O THR A 98 1.277 7.334 -3.536 1.00 0.00 O ATOM 1427 CB THR A 98 3.083 6.834 -1.215 1.00 0.00 C ATOM 1428 OG1 THR A 98 1.741 6.333 -1.235 1.00 0.00 O ATOM 1429 CG2 THR A 98 3.388 7.421 0.156 1.00 0.00 C ATOM 0 H THR A 98 2.108 9.192 -1.146 1.00 0.00 H new ATOM 0 HA THR A 98 4.327 7.977 -2.555 1.00 0.00 H new ATOM 0 HB THR A 98 3.778 6.017 -1.408 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.196 6.881 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.251 6.654 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.418 7.776 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.713 8.254 0.354 1.00 0.00 H new ATOM 1481 N VAL A 102 3.114 -0.311 -4.237 1.00 0.00 N ATOM 1482 CA VAL A 102 2.607 -1.662 -4.437 1.00 0.00 C ATOM 1483 C VAL A 102 2.752 -2.499 -3.171 1.00 0.00 C ATOM 1484 O VAL A 102 3.829 -3.015 -2.877 1.00 0.00 O ATOM 1485 CB VAL A 102 3.338 -2.371 -5.592 1.00 0.00 C ATOM 1486 CG1 VAL A 102 2.399 -3.328 -6.311 1.00 0.00 C ATOM 1487 CG2 VAL A 102 3.919 -1.353 -6.562 1.00 0.00 C ATOM 0 HA VAL A 102 1.550 -1.568 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 102 4.161 -2.951 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.933 -3.820 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.037 -4.079 -5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.553 -2.772 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.432 -1.873 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.115 -0.743 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.627 -0.712 -6.036 1.00 0.00 H new ATOM 1497 N LEU A 103 1.660 -2.628 -2.425 1.00 0.00 N ATOM 1498 CA LEU A 103 1.666 -3.402 -1.189 1.00 0.00 C ATOM 1499 C LEU A 103 0.767 -4.627 -1.312 1.00 0.00 C ATOM 1500 O LEU A 103 -0.262 -4.591 -1.985 1.00 0.00 O ATOM 1501 CB LEU A 103 1.223 -2.531 -0.014 1.00 0.00 C ATOM 1502 CG LEU A 103 1.692 -1.077 -0.067 1.00 0.00 C ATOM 1503 CD1 LEU A 103 3.004 -0.962 -0.830 1.00 0.00 C ATOM 1504 CD2 LEU A 103 0.626 -0.193 -0.694 1.00 0.00 C ATOM 0 H LEU A 103 0.760 -2.207 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 103 2.684 -3.744 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.134 -2.543 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.589 -2.981 0.909 1.00 0.00 H new ATOM 0 HG LEU A 103 1.862 -0.735 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.320 0.081 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.768 -1.560 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.865 -1.324 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.979 0.838 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.421 -0.535 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.287 -0.248 -0.101 1.00 0.00 H new ATOM 1516 N VAL A 104 1.169 -5.712 -0.659 1.00 0.00 N ATOM 1517 CA VAL A 104 0.403 -6.954 -0.697 1.00 0.00 C ATOM 1518 C VAL A 104 0.021 -7.414 0.704 1.00 0.00 C ATOM 1519 O VAL A 104 0.724 -7.130 1.667 1.00 0.00 O ATOM 1520 CB VAL A 104 1.189 -8.079 -1.414 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.048 -7.502 -2.528 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.037 -8.890 -0.443 1.00 0.00 C ATOM 0 H VAL A 104 2.019 -5.757 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.508 -6.747 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 104 0.459 -8.761 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.593 -8.307 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.411 -6.997 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.756 -6.788 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.571 -9.668 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.755 -8.234 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.393 -9.350 0.307 1.00 0.00 H new ATOM 1532 N GLN A 105 -1.083 -8.142 0.810 1.00 0.00 N ATOM 1533 CA GLN A 105 -1.534 -8.646 2.100 1.00 0.00 C ATOM 1534 C GLN A 105 -0.922 -10.014 2.376 1.00 0.00 C ATOM 1535 O GLN A 105 -1.575 -11.045 2.210 1.00 0.00 O ATOM 1536 CB GLN A 105 -3.061 -8.738 2.132 1.00 0.00 C ATOM 1537 CG GLN A 105 -3.757 -7.474 1.658 1.00 0.00 C ATOM 1538 CD GLN A 105 -4.444 -7.653 0.319 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -4.211 -8.636 -0.384 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -5.296 -6.700 -0.043 1.00 0.00 N ATOM 0 H GLN A 105 -1.680 -8.396 0.023 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.209 -7.952 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.379 -9.573 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.382 -8.959 3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -4.493 -7.169 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.027 -6.668 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.459 -5.902 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.787 -6.766 -0.935 1.00 0.00 H new ATOM 1549 N THR A 106 0.342 -10.015 2.790 1.00 0.00 N ATOM 1550 CA THR A 106 1.052 -11.254 3.079 1.00 0.00 C ATOM 1551 C THR A 106 0.596 -11.862 4.401 1.00 0.00 C ATOM 1552 O THR A 106 0.108 -11.158 5.285 1.00 0.00 O ATOM 1553 CB THR A 106 2.576 -11.034 3.135 1.00 0.00 C ATOM 1554 OG1 THR A 106 2.869 -9.772 3.747 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.184 -11.079 1.743 1.00 0.00 C ATOM 0 H THR A 106 0.895 -9.170 2.933 1.00 0.00 H new ATOM 0 HA THR A 106 0.818 -11.940 2.265 1.00 0.00 H new ATOM 0 HB THR A 106 3.012 -11.837 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.158 -9.543 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.260 -10.921 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.988 -12.051 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.741 -10.297 1.127 1.00 0.00 H new ATOM 1563 N ARG A 107 0.764 -13.174 4.527 1.00 0.00 N ATOM 1564 CA ARG A 107 0.376 -13.884 5.740 1.00 0.00 C ATOM 1565 C ARG A 107 1.423 -14.928 6.113 1.00 0.00 C ATOM 1566 O ARG A 107 2.143 -15.434 5.252 1.00 0.00 O ATOM 1567 CB ARG A 107 -0.986 -14.555 5.549 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.186 -15.144 4.162 1.00 0.00 C ATOM 1569 CD ARG A 107 -2.631 -15.022 3.708 1.00 0.00 C ATOM 1570 NE ARG A 107 -2.807 -13.965 2.717 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.972 -13.377 2.468 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -5.059 -13.744 3.133 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -4.053 -12.421 1.551 1.00 0.00 N ATOM 0 H ARG A 107 1.167 -13.768 3.802 1.00 0.00 H new ATOM 0 HA ARG A 107 0.305 -13.159 6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.099 -15.346 6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.772 -13.824 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.536 -14.633 3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.892 -16.194 4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.960 -15.972 3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.266 -14.819 4.571 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.991 -13.661 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.002 -14.479 3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.952 -13.291 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.220 -12.136 1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.948 -11.971 1.361 1.00 0.00 H new ATOM 1587 N GLY A 108 1.502 -15.247 7.401 1.00 0.00 N ATOM 1588 CA GLY A 108 2.466 -16.229 7.863 1.00 0.00 C ATOM 1589 C GLY A 108 2.840 -16.037 9.319 1.00 0.00 C ATOM 1590 O GLY A 108 2.036 -15.550 10.114 1.00 0.00 O ATOM 0 H GLY A 108 0.916 -14.844 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.055 -17.229 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.365 -16.167 7.249 1.00 0.00 H new ATOM 1594 N GLY A 109 4.062 -16.422 9.670 1.00 0.00 N ATOM 1595 CA GLY A 109 4.519 -16.282 11.039 1.00 0.00 C ATOM 1596 C GLY A 109 5.521 -15.157 11.205 1.00 0.00 C ATOM 1597 O GLY A 109 5.821 -14.743 12.325 1.00 0.00 O ATOM 0 H GLY A 109 4.744 -16.829 9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.662 -16.100 11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.972 -17.218 11.365 1.00 0.00 H new ATOM 1601 N ASN A 110 6.039 -14.658 10.087 1.00 0.00 N ATOM 1602 CA ASN A 110 7.013 -13.573 10.115 1.00 0.00 C ATOM 1603 C ASN A 110 6.346 -12.237 9.801 1.00 0.00 C ATOM 1604 O ASN A 110 6.851 -11.178 10.172 1.00 0.00 O ATOM 1605 CB ASN A 110 8.137 -13.842 9.112 1.00 0.00 C ATOM 1606 CG ASN A 110 9.294 -14.602 9.731 1.00 0.00 C ATOM 1607 OD1 ASN A 110 10.514 -14.184 9.413 1.00 0.00 O flip ATOM 1608 ND2 ASN A 110 9.094 -15.552 10.488 1.00 0.00 N flip ATOM 0 H ASN A 110 5.801 -14.987 9.152 1.00 0.00 H new ATOM 0 HA ASN A 110 7.435 -13.523 11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.741 -14.411 8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.500 -12.894 8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.140 -15.839 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.883 -16.052 10.898 1.00 0.00 H new ATOM 1615 N SER A 111 5.209 -12.296 9.117 1.00 0.00 N ATOM 1616 CA SER A 111 4.472 -11.092 8.754 1.00 0.00 C ATOM 1617 C SER A 111 3.112 -11.058 9.443 1.00 0.00 C ATOM 1618 O SER A 111 2.502 -9.999 9.583 1.00 0.00 O ATOM 1619 CB SER A 111 4.289 -11.019 7.237 1.00 0.00 C ATOM 1620 OG SER A 111 3.406 -12.028 6.779 1.00 0.00 O ATOM 0 H SER A 111 4.778 -13.165 8.803 1.00 0.00 H new ATOM 0 HA SER A 111 5.049 -10.229 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.900 -10.039 6.962 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.256 -11.128 6.746 1.00 0.00 H new ATOM 0 HG SER A 111 3.054 -11.780 5.898 1.00 0.00 H new ATOM 1626 N ASN A 112 2.642 -12.226 9.872 1.00 0.00 N ATOM 1627 CA ASN A 112 1.355 -12.331 10.547 1.00 0.00 C ATOM 1628 C ASN A 112 0.346 -11.357 9.947 1.00 0.00 C ATOM 1629 O ASN A 112 -0.137 -10.451 10.626 1.00 0.00 O ATOM 1630 CB ASN A 112 1.516 -12.059 12.044 1.00 0.00 C ATOM 1631 CG ASN A 112 2.717 -12.771 12.634 1.00 0.00 C ATOM 1632 OD1 ASN A 112 3.846 -12.593 12.178 1.00 0.00 O ATOM 1633 ND2 ASN A 112 2.479 -13.584 13.657 1.00 0.00 N ATOM 0 H ASN A 112 3.134 -13.113 9.763 1.00 0.00 H new ATOM 0 HA ASN A 112 0.982 -13.346 10.408 1.00 0.00 H new ATOM 0 HB2 ASN A 112 1.617 -10.986 12.207 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.615 -12.378 12.568 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.248 -14.090 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 112 1.527 -13.702 14.004 1.00 0.00 H new ATOM 1640 N GLY A 113 0.033 -11.550 8.671 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.915 -10.682 7.999 1.00 0.00 C ATOM 1642 C GLY A 113 -0.422 -9.251 7.904 1.00 0.00 C ATOM 1643 O GLY A 113 -1.055 -8.335 8.430 1.00 0.00 O ATOM 0 H GLY A 113 0.420 -12.293 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.107 -11.065 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.864 -10.702 8.534 1.00 0.00 H new ATOM 1647 N ALA A 114 0.711 -9.059 7.236 1.00 0.00 N ATOM 1648 CA ALA A 114 1.286 -7.729 7.080 1.00 0.00 C ATOM 1649 C ALA A 114 1.276 -7.288 5.624 1.00 0.00 C ATOM 1650 O ALA A 114 1.662 -8.041 4.732 1.00 0.00 O ATOM 1651 CB ALA A 114 2.702 -7.697 7.633 1.00 0.00 C ATOM 0 H ALA A 114 1.248 -9.806 6.795 1.00 0.00 H new ATOM 0 HA ALA A 114 0.670 -7.030 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.118 -6.697 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.685 -7.955 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.319 -8.416 7.095 1.00 0.00 H new ATOM 1657 N LEU A 115 0.834 -6.057 5.393 1.00 0.00 N ATOM 1658 CA LEU A 115 0.780 -5.513 4.046 1.00 0.00 C ATOM 1659 C LEU A 115 2.189 -5.362 3.481 1.00 0.00 C ATOM 1660 O LEU A 115 2.816 -4.312 3.619 1.00 0.00 O ATOM 1661 CB LEU A 115 0.058 -4.163 4.041 1.00 0.00 C ATOM 1662 CG LEU A 115 -0.042 -3.481 2.675 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.005 -4.510 1.553 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -1.309 -2.645 2.591 1.00 0.00 C ATOM 0 H LEU A 115 0.509 -5.420 6.121 1.00 0.00 H new ATOM 0 HA LEU A 115 0.222 -6.205 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.949 -4.307 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.573 -3.491 4.727 1.00 0.00 H new ATOM 0 HG LEU A 115 0.817 -2.821 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.077 -4.002 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.931 -5.066 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.842 -5.199 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.365 -2.167 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.179 -3.287 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.293 -1.881 3.368 1.00 0.00 H new ATOM 1676 N CYS A 116 2.684 -6.424 2.854 1.00 0.00 N ATOM 1677 CA CYS A 116 4.024 -6.416 2.275 1.00 0.00 C ATOM 1678 C CYS A 116 4.361 -5.049 1.696 1.00 0.00 C ATOM 1679 O CYS A 116 3.519 -4.401 1.073 1.00 0.00 O ATOM 1680 CB CYS A 116 4.136 -7.484 1.191 1.00 0.00 C ATOM 1681 SG CYS A 116 5.845 -7.914 0.730 1.00 0.00 S ATOM 0 H CYS A 116 2.178 -7.301 2.733 1.00 0.00 H new ATOM 0 HA CYS A 116 4.737 -6.636 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.627 -8.385 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 116 3.609 -7.138 0.302 1.00 0.00 H new ATOM 1686 N HIS A 117 5.601 -4.618 1.905 1.00 0.00 N ATOM 1687 CA HIS A 117 6.056 -3.326 1.404 1.00 0.00 C ATOM 1688 C HIS A 117 7.063 -3.508 0.274 1.00 0.00 C ATOM 1689 O HIS A 117 8.254 -3.703 0.515 1.00 0.00 O ATOM 1690 CB HIS A 117 6.681 -2.509 2.537 1.00 0.00 C ATOM 1691 CG HIS A 117 7.567 -1.400 2.059 1.00 0.00 C ATOM 1692 ND1 HIS A 117 8.808 -1.026 2.450 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 7.203 -0.524 1.058 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 9.167 0.057 1.687 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 8.182 0.340 0.854 1.00 0.00 N flip ATOM 0 H HIS A 117 6.308 -5.144 2.418 1.00 0.00 H new ATOM 0 HA HIS A 117 5.192 -2.788 1.013 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.885 -2.088 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.260 -3.175 3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.264 -0.541 0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.103 0.591 1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.178 1.096 0.170 1.00 0.00 H new ATOM 1704 N PHE A 118 6.577 -3.438 -0.960 1.00 0.00 N ATOM 1705 CA PHE A 118 7.434 -3.592 -2.127 1.00 0.00 C ATOM 1706 C PHE A 118 7.990 -2.243 -2.572 1.00 0.00 C ATOM 1707 O PHE A 118 7.301 -1.225 -2.506 1.00 0.00 O ATOM 1708 CB PHE A 118 6.659 -4.233 -3.281 1.00 0.00 C ATOM 1709 CG PHE A 118 6.323 -5.682 -3.062 1.00 0.00 C ATOM 1710 CD1 PHE A 118 5.258 -6.047 -2.254 1.00 0.00 C ATOM 1711 CD2 PHE A 118 7.067 -6.677 -3.673 1.00 0.00 C ATOM 1712 CE1 PHE A 118 4.940 -7.379 -2.061 1.00 0.00 C ATOM 1713 CE2 PHE A 118 6.756 -8.010 -3.484 1.00 0.00 C ATOM 1714 CZ PHE A 118 5.691 -8.362 -2.676 1.00 0.00 C ATOM 0 H PHE A 118 5.594 -3.276 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 118 8.264 -4.241 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.735 -3.676 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.246 -4.141 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 118 4.669 -5.282 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 118 7.900 -6.408 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 118 4.106 -7.650 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 118 7.344 -8.776 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.447 -9.403 -2.526 1.00 0.00 H new ATOM 1724 N PRO A 119 9.249 -2.223 -3.031 1.00 0.00 N ATOM 1725 CA PRO A 119 10.089 -3.413 -3.122 1.00 0.00 C ATOM 1726 C PRO A 119 10.707 -3.784 -1.778 1.00 0.00 C ATOM 1727 O PRO A 119 10.701 -2.988 -0.838 1.00 0.00 O ATOM 1728 CB PRO A 119 11.198 -3.018 -4.120 1.00 0.00 C ATOM 1729 CG PRO A 119 10.840 -1.630 -4.567 1.00 0.00 C ATOM 1730 CD PRO A 119 9.960 -1.044 -3.505 1.00 0.00 C ATOM 0 HA PRO A 119 9.512 -4.284 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.180 -3.040 -3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.234 -3.708 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.736 -1.025 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.323 -1.655 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.536 -0.567 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.282 -0.290 -3.905 1.00 0.00 H new ATOM 1738 N PHE A 120 11.251 -4.992 -1.698 1.00 0.00 N ATOM 1739 CA PHE A 120 11.889 -5.468 -0.476 1.00 0.00 C ATOM 1740 C PHE A 120 13.337 -5.857 -0.753 1.00 0.00 C ATOM 1741 O PHE A 120 13.613 -6.651 -1.651 1.00 0.00 O ATOM 1742 CB PHE A 120 11.124 -6.662 0.100 1.00 0.00 C ATOM 1743 CG PHE A 120 11.195 -7.894 -0.754 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.396 -8.022 -1.877 1.00 0.00 C ATOM 1745 CD2 PHE A 120 12.061 -8.926 -0.430 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.458 -9.157 -2.664 1.00 0.00 C ATOM 1747 CE2 PHE A 120 12.129 -10.064 -1.213 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.326 -10.179 -2.331 1.00 0.00 C ATOM 0 H PHE A 120 11.263 -5.662 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 120 11.875 -4.661 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.520 -6.893 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.079 -6.383 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.716 -7.226 -2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 120 12.690 -8.841 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.829 -9.245 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.809 -10.861 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.377 -11.067 -2.944 1.00 0.00 H new ATOM 1758 N LEU A 121 14.261 -5.282 0.011 1.00 0.00 N ATOM 1759 CA LEU A 121 15.678 -5.564 -0.175 1.00 0.00 C ATOM 1760 C LEU A 121 16.047 -6.960 0.319 1.00 0.00 C ATOM 1761 O LEU A 121 15.944 -7.256 1.509 1.00 0.00 O ATOM 1762 CB LEU A 121 16.542 -4.523 0.546 1.00 0.00 C ATOM 1763 CG LEU A 121 18.001 -4.443 0.072 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.416 -5.720 -0.622 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.203 -3.263 -0.862 1.00 0.00 C ATOM 0 H LEU A 121 14.054 -4.622 0.760 1.00 0.00 H new ATOM 0 HA LEU A 121 15.873 -5.515 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.082 -3.543 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.535 -4.745 1.613 1.00 0.00 H new ATOM 0 HG LEU A 121 18.626 -4.305 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.453 -5.637 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 121 18.319 -6.558 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 121 17.776 -5.888 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.244 -3.228 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 121 17.557 -3.374 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 121 17.953 -2.339 -0.340 1.00 0.00 H new ATOM 1777 N TYR A 122 16.496 -7.809 -0.604 1.00 0.00 N ATOM 1778 CA TYR A 122 16.902 -9.167 -0.263 1.00 0.00 C ATOM 1779 C TYR A 122 18.376 -9.375 -0.593 1.00 0.00 C ATOM 1780 O TYR A 122 18.775 -9.313 -1.756 1.00 0.00 O ATOM 1781 CB TYR A 122 16.050 -10.190 -1.015 1.00 0.00 C ATOM 1782 CG TYR A 122 16.497 -11.619 -0.802 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.723 -12.062 -1.282 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.695 -12.522 -0.118 1.00 0.00 C ATOM 1785 CE1 TYR A 122 18.137 -13.366 -1.086 1.00 0.00 C ATOM 1786 CE2 TYR A 122 16.101 -13.828 0.081 1.00 0.00 C ATOM 1787 CZ TYR A 122 17.322 -14.245 -0.405 1.00 0.00 C ATOM 1788 OH TYR A 122 17.730 -15.544 -0.208 1.00 0.00 O ATOM 0 H TYR A 122 16.587 -7.578 -1.593 1.00 0.00 H new ATOM 0 HA TYR A 122 16.753 -9.310 0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.012 -10.091 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.080 -9.963 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.363 -11.376 -1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.738 -12.199 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 122 19.094 -13.695 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.465 -14.519 0.615 1.00 0.00 H new ATOM 0 HH TYR A 122 17.041 -16.031 0.290 1.00 0.00 H new ATOM 1798 N ASN A 123 19.185 -9.612 0.435 1.00 0.00 N ATOM 1799 CA ASN A 123 20.615 -9.818 0.243 1.00 0.00 C ATOM 1800 C ASN A 123 21.211 -8.674 -0.573 1.00 0.00 C ATOM 1801 O ASN A 123 21.854 -8.897 -1.599 1.00 0.00 O ATOM 1802 CB ASN A 123 20.873 -11.151 -0.461 1.00 0.00 C ATOM 1803 CG ASN A 123 21.864 -12.019 0.289 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.801 -11.516 0.910 1.00 0.00 O ATOM 1805 ND2 ASN A 123 21.664 -13.331 0.233 1.00 0.00 N ATOM 0 H ASN A 123 18.876 -9.666 1.405 1.00 0.00 H new ATOM 0 HA ASN A 123 21.094 -9.840 1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.932 -11.690 -0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 123 21.249 -10.961 -1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 123 22.300 -13.965 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 123 20.874 -13.704 -0.294 1.00 0.00 H new ATOM 1812 N ASN A 124 20.981 -7.448 -0.112 1.00 0.00 N ATOM 1813 CA ASN A 124 21.482 -6.263 -0.800 1.00 0.00 C ATOM 1814 C ASN A 124 21.133 -6.323 -2.286 1.00 0.00 C ATOM 1815 O ASN A 124 21.844 -5.776 -3.128 1.00 0.00 O ATOM 1816 CB ASN A 124 22.994 -6.129 -0.616 1.00 0.00 C ATOM 1817 CG ASN A 124 23.766 -7.191 -1.373 1.00 0.00 C ATOM 1818 OD1 ASN A 124 24.138 -8.260 -0.679 1.00 0.00 O flip ATOM 1819 ND2 ASN A 124 24.027 -7.050 -2.568 1.00 0.00 N flip ATOM 0 H ASN A 124 20.450 -7.249 0.736 1.00 0.00 H new ATOM 0 HA ASN A 124 21.004 -5.387 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.312 -5.143 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.235 -6.196 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 124 23.721 -6.211 -3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.549 -7.772 -3.065 1.00 0.00 H new ATOM 1826 N HIS A 125 20.013 -6.975 -2.582 1.00 0.00 N ATOM 1827 CA HIS A 125 19.513 -7.101 -3.943 1.00 0.00 C ATOM 1828 C HIS A 125 18.006 -6.855 -3.949 1.00 0.00 C ATOM 1829 O HIS A 125 17.219 -7.781 -3.772 1.00 0.00 O ATOM 1830 CB HIS A 125 19.824 -8.492 -4.502 1.00 0.00 C ATOM 1831 CG HIS A 125 19.093 -8.804 -5.771 1.00 0.00 C ATOM 1832 ND1 HIS A 125 18.231 -8.058 -6.503 1.00 0.00 N flip ATOM 1833 CD2 HIS A 125 19.208 -10.010 -6.429 1.00 0.00 C flip ATOM 1834 CE1 HIS A 125 17.846 -8.821 -7.579 1.00 0.00 C flip ATOM 1835 NE2 HIS A 125 18.450 -9.993 -7.512 1.00 0.00 N flip ATOM 0 H HIS A 125 19.427 -7.431 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 125 20.005 -6.362 -4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.896 -8.571 -4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 125 19.570 -9.241 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 125 19.822 -10.839 -6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.160 -8.512 -8.354 1.00 0.00 H new ATOM 0 HE2 HIS A 125 18.349 -10.756 -8.182 1.00 0.00 H new ATOM 1844 N ASN A 126 17.611 -5.595 -4.121 1.00 0.00 N ATOM 1845 CA ASN A 126 16.197 -5.233 -4.116 1.00 0.00 C ATOM 1846 C ASN A 126 15.356 -6.256 -4.877 1.00 0.00 C ATOM 1847 O ASN A 126 15.846 -6.933 -5.779 1.00 0.00 O ATOM 1848 CB ASN A 126 15.984 -3.839 -4.713 1.00 0.00 C ATOM 1849 CG ASN A 126 17.092 -3.417 -5.656 1.00 0.00 C ATOM 1850 OD1 ASN A 126 17.612 -4.225 -6.425 1.00 0.00 O ATOM 1851 ND2 ASN A 126 17.455 -2.137 -5.594 1.00 0.00 N ATOM 0 H ASN A 126 18.248 -4.811 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 126 15.871 -5.224 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 126 15.034 -3.821 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 126 15.908 -3.112 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 126 18.196 -1.787 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 126 16.992 -1.507 -4.939 1.00 0.00 H new ATOM 1857 N TYR A 127 14.083 -6.354 -4.502 1.00 0.00 N ATOM 1858 CA TYR A 127 13.160 -7.287 -5.143 1.00 0.00 C ATOM 1859 C TYR A 127 11.771 -6.665 -5.271 1.00 0.00 C ATOM 1860 O TYR A 127 11.416 -5.757 -4.519 1.00 0.00 O ATOM 1861 CB TYR A 127 13.070 -8.587 -4.341 1.00 0.00 C ATOM 1862 CG TYR A 127 13.963 -9.690 -4.863 1.00 0.00 C ATOM 1863 CD1 TYR A 127 15.267 -9.825 -4.405 1.00 0.00 C ATOM 1864 CD2 TYR A 127 13.503 -10.593 -5.813 1.00 0.00 C ATOM 1865 CE1 TYR A 127 16.089 -10.829 -4.878 1.00 0.00 C ATOM 1866 CE2 TYR A 127 14.319 -11.602 -6.290 1.00 0.00 C ATOM 1867 CZ TYR A 127 15.610 -11.715 -5.820 1.00 0.00 C ATOM 1868 OH TYR A 127 16.426 -12.717 -6.293 1.00 0.00 O ATOM 0 H TYR A 127 13.666 -5.797 -3.756 1.00 0.00 H new ATOM 0 HA TYR A 127 13.541 -7.510 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 127 13.332 -8.381 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.037 -8.935 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 127 15.645 -9.133 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.493 -10.506 -6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 127 17.101 -10.920 -4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 127 13.947 -12.298 -7.027 1.00 0.00 H new ATOM 0 HH TYR A 127 15.937 -13.255 -6.950 1.00 0.00 H new ATOM 1878 N THR A 128 10.988 -7.161 -6.224 1.00 0.00 N ATOM 1879 CA THR A 128 9.639 -6.652 -6.443 1.00 0.00 C ATOM 1880 C THR A 128 8.682 -7.776 -6.816 1.00 0.00 C ATOM 1881 O THR A 128 8.171 -7.829 -7.935 1.00 0.00 O ATOM 1882 CB THR A 128 9.611 -5.579 -7.546 1.00 0.00 C ATOM 1883 OG1 THR A 128 10.778 -5.693 -8.372 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.547 -4.183 -6.943 1.00 0.00 C ATOM 0 H THR A 128 11.264 -7.913 -6.855 1.00 0.00 H new ATOM 0 HA THR A 128 9.317 -6.201 -5.504 1.00 0.00 H new ATOM 0 HB THR A 128 8.719 -5.738 -8.152 1.00 0.00 H new ATOM 0 HG1 THR A 128 10.751 -5.008 -9.072 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.528 -3.442 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.644 -4.089 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 128 10.423 -4.017 -6.315 1.00 0.00 H new ATOM 1892 N ASP A 129 8.445 -8.669 -5.865 1.00 0.00 N ATOM 1893 CA ASP A 129 7.550 -9.799 -6.073 1.00 0.00 C ATOM 1894 C ASP A 129 7.877 -10.922 -5.099 1.00 0.00 C ATOM 1895 O ASP A 129 9.034 -11.313 -4.959 1.00 0.00 O ATOM 1896 CB ASP A 129 7.650 -10.307 -7.513 1.00 0.00 C ATOM 1897 CG ASP A 129 6.532 -9.780 -8.391 1.00 0.00 C ATOM 1898 OD1 ASP A 129 5.721 -8.969 -7.898 1.00 0.00 O ATOM 1899 OD2 ASP A 129 6.468 -10.178 -9.573 1.00 0.00 O ATOM 0 H ASP A 129 8.863 -8.632 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 129 6.529 -9.464 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.610 -10.009 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.626 -11.397 -7.513 1.00 0.00 H new ATOM 1904 N CYS A 130 6.851 -11.429 -4.426 1.00 0.00 N ATOM 1905 CA CYS A 130 7.029 -12.503 -3.459 1.00 0.00 C ATOM 1906 C CYS A 130 7.901 -13.616 -4.032 1.00 0.00 C ATOM 1907 O CYS A 130 7.396 -14.589 -4.592 1.00 0.00 O ATOM 1908 CB CYS A 130 5.671 -13.068 -3.037 1.00 0.00 C ATOM 1909 SG CYS A 130 4.412 -13.038 -4.354 1.00 0.00 S ATOM 0 H CYS A 130 5.887 -11.113 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 130 7.531 -12.089 -2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.806 -14.096 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.302 -12.499 -2.183 1.00 0.00 H new ATOM 1914 N THR A 131 9.213 -13.464 -3.887 1.00 0.00 N ATOM 1915 CA THR A 131 10.158 -14.453 -4.390 1.00 0.00 C ATOM 1916 C THR A 131 10.178 -15.694 -3.504 1.00 0.00 C ATOM 1917 O THR A 131 9.782 -15.646 -2.340 1.00 0.00 O ATOM 1918 CB THR A 131 11.583 -13.875 -4.474 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.428 -14.762 -5.219 1.00 0.00 O ATOM 1920 CG2 THR A 131 12.163 -13.663 -3.085 1.00 0.00 C ATOM 0 H THR A 131 9.646 -12.664 -3.425 1.00 0.00 H new ATOM 0 HA THR A 131 9.825 -14.729 -5.391 1.00 0.00 H new ATOM 0 HB THR A 131 11.532 -12.911 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.332 -14.387 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 131 13.170 -13.254 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.534 -12.967 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 131 12.202 -14.616 -2.557 1.00 0.00 H new ATOM 1928 N SER A 132 10.642 -16.807 -4.064 1.00 0.00 N ATOM 1929 CA SER A 132 10.714 -18.062 -3.326 1.00 0.00 C ATOM 1930 C SER A 132 12.128 -18.633 -3.358 1.00 0.00 C ATOM 1931 O SER A 132 12.333 -19.790 -3.725 1.00 0.00 O ATOM 1932 CB SER A 132 9.728 -19.077 -3.906 1.00 0.00 C ATOM 1933 OG SER A 132 10.051 -20.394 -3.497 1.00 0.00 O ATOM 0 H SER A 132 10.974 -16.865 -5.027 1.00 0.00 H new ATOM 0 HA SER A 132 10.447 -17.859 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 132 8.716 -18.831 -3.584 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.739 -19.018 -4.994 1.00 0.00 H new ATOM 0 HG SER A 132 10.888 -20.673 -3.923 1.00 0.00 H new ATOM 1939 N GLU A 133 13.101 -17.813 -2.973 1.00 0.00 N ATOM 1940 CA GLU A 133 14.496 -18.236 -2.958 1.00 0.00 C ATOM 1941 C GLU A 133 14.836 -18.941 -1.650 1.00 0.00 C ATOM 1942 O GLU A 133 15.874 -19.595 -1.537 1.00 0.00 O ATOM 1943 CB GLU A 133 15.418 -17.032 -3.158 1.00 0.00 C ATOM 1944 CG GLU A 133 16.535 -17.281 -4.159 1.00 0.00 C ATOM 1945 CD GLU A 133 17.147 -18.660 -4.019 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.815 -18.912 -2.995 1.00 0.00 O ATOM 1947 OE2 GLU A 133 16.959 -19.488 -4.936 1.00 0.00 O ATOM 0 H GLU A 133 12.949 -16.852 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 133 14.646 -18.939 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.824 -16.182 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.856 -16.757 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 133 16.145 -17.162 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 133 17.312 -16.528 -4.026 1.00 0.00 H new ATOM 1954 N GLY A 134 13.957 -18.805 -0.663 1.00 0.00 N ATOM 1955 CA GLY A 134 14.184 -19.434 0.625 1.00 0.00 C ATOM 1956 C GLY A 134 13.239 -20.592 0.879 1.00 0.00 C ATOM 1957 O GLY A 134 13.244 -21.181 1.959 1.00 0.00 O ATOM 0 H GLY A 134 13.091 -18.270 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.213 -19.791 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 134 14.065 -18.692 1.414 1.00 0.00 H new ATOM 1961 N ARG A 135 12.428 -20.921 -0.121 1.00 0.00 N ATOM 1962 CA ARG A 135 11.472 -22.016 -0.003 1.00 0.00 C ATOM 1963 C ARG A 135 11.561 -22.948 -1.206 1.00 0.00 C ATOM 1964 O ARG A 135 12.105 -22.583 -2.248 1.00 0.00 O ATOM 1965 CB ARG A 135 10.050 -21.469 0.130 1.00 0.00 C ATOM 1966 CG ARG A 135 9.657 -21.135 1.561 1.00 0.00 C ATOM 1967 CD ARG A 135 8.157 -20.933 1.694 1.00 0.00 C ATOM 1968 NE ARG A 135 7.446 -22.199 1.849 1.00 0.00 N ATOM 1969 CZ ARG A 135 7.308 -22.828 3.012 1.00 0.00 C ATOM 1970 NH1 ARG A 135 7.830 -22.310 4.114 1.00 0.00 N ATOM 1971 NH2 ARG A 135 6.647 -23.977 3.072 1.00 0.00 N ATOM 0 H ARG A 135 12.414 -20.445 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 135 11.719 -22.585 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 135 9.956 -20.572 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.349 -22.202 -0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.977 -21.939 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 135 10.177 -20.232 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.952 -20.295 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.782 -20.412 0.813 1.00 0.00 H new ATOM 0 HE ARG A 135 7.032 -22.624 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.339 -21.427 4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.723 -22.794 5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 135 6.244 -24.378 2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.542 -24.459 3.965 1.00 0.00 H new ATOM 1985 N ARG A 136 11.023 -24.154 -1.055 1.00 0.00 N ATOM 1986 CA ARG A 136 11.041 -25.139 -2.130 1.00 0.00 C ATOM 1987 C ARG A 136 9.624 -25.506 -2.557 1.00 0.00 C ATOM 1988 O ARG A 136 9.419 -26.125 -3.601 1.00 0.00 O ATOM 1989 CB ARG A 136 11.793 -26.395 -1.687 1.00 0.00 C ATOM 1990 CG ARG A 136 11.154 -27.102 -0.503 1.00 0.00 C ATOM 1991 CD ARG A 136 10.572 -28.447 -0.904 1.00 0.00 C ATOM 1992 NE ARG A 136 11.027 -29.523 -0.029 1.00 0.00 N ATOM 1993 CZ ARG A 136 10.348 -30.648 0.169 1.00 0.00 C ATOM 1994 NH1 ARG A 136 9.188 -30.841 -0.443 1.00 0.00 N ATOM 1995 NH2 ARG A 136 10.828 -31.581 0.979 1.00 0.00 N ATOM 0 H ARG A 136 10.569 -24.472 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 136 11.555 -24.697 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.850 -27.089 -2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.816 -26.123 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 136 11.898 -27.246 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.367 -26.474 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 136 9.484 -28.394 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 136 10.855 -28.672 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 136 11.916 -29.405 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 136 8.815 -30.125 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.668 -31.705 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.720 -31.436 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 136 10.305 -32.444 1.130 1.00 0.00 H new ATOM 2009 N ASP A 137 8.648 -25.118 -1.742 1.00 0.00 N ATOM 2010 CA ASP A 137 7.248 -25.406 -2.035 1.00 0.00 C ATOM 2011 C ASP A 137 6.525 -24.154 -2.518 1.00 0.00 C ATOM 2012 O ASP A 137 6.683 -23.074 -1.947 1.00 0.00 O ATOM 2013 CB ASP A 137 6.550 -25.965 -0.794 1.00 0.00 C ATOM 2014 CG ASP A 137 7.253 -25.575 0.491 1.00 0.00 C ATOM 2015 OD1 ASP A 137 7.897 -24.504 0.513 1.00 0.00 O ATOM 2016 OD2 ASP A 137 7.159 -26.338 1.475 1.00 0.00 O ATOM 0 H ASP A 137 8.800 -24.604 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 137 7.215 -26.152 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 137 5.522 -25.605 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.505 -27.052 -0.865 1.00 0.00 H new ATOM 2021 N ASN A 138 5.732 -24.304 -3.574 1.00 0.00 N ATOM 2022 CA ASN A 138 4.984 -23.185 -4.134 1.00 0.00 C ATOM 2023 C ASN A 138 4.398 -22.313 -3.027 1.00 0.00 C ATOM 2024 O ASN A 138 3.286 -22.553 -2.559 1.00 0.00 O ATOM 2025 CB ASN A 138 3.865 -23.696 -5.043 1.00 0.00 C ATOM 2026 CG ASN A 138 4.396 -24.352 -6.302 1.00 0.00 C ATOM 2027 OD1 ASN A 138 5.564 -24.189 -6.656 1.00 0.00 O ATOM 2028 ND2 ASN A 138 3.540 -25.101 -6.987 1.00 0.00 N ATOM 0 H ASN A 138 5.591 -25.190 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 138 5.673 -22.579 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 138 3.253 -24.412 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 138 3.215 -22.865 -5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 138 3.842 -25.568 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.581 -25.209 -6.658 1.00 0.00 H new ATOM 2035 N MET A 139 5.155 -21.302 -2.616 1.00 0.00 N ATOM 2036 CA MET A 139 4.709 -20.394 -1.564 1.00 0.00 C ATOM 2037 C MET A 139 5.436 -19.056 -1.657 1.00 0.00 C ATOM 2038 O MET A 139 6.005 -18.578 -0.676 1.00 0.00 O ATOM 2039 CB MET A 139 4.944 -21.021 -0.188 1.00 0.00 C ATOM 2040 CG MET A 139 4.016 -20.486 0.890 1.00 0.00 C ATOM 2041 SD MET A 139 3.928 -21.567 2.329 1.00 0.00 S ATOM 2042 CE MET A 139 2.159 -21.827 2.449 1.00 0.00 C ATOM 0 H MET A 139 6.078 -21.090 -2.994 1.00 0.00 H new ATOM 0 HA MET A 139 3.642 -20.217 -1.698 1.00 0.00 H new ATOM 0 HB2 MET A 139 4.816 -22.101 -0.263 1.00 0.00 H new ATOM 0 HB3 MET A 139 5.977 -20.843 0.112 1.00 0.00 H new ATOM 0 HG2 MET A 139 4.359 -19.499 1.202 1.00 0.00 H new ATOM 0 HG3 MET A 139 3.017 -20.360 0.474 1.00 0.00 H new ATOM 0 HE1 MET A 139 1.944 -22.479 3.296 1.00 0.00 H new ATOM 0 HE2 MET A 139 1.659 -20.869 2.592 1.00 0.00 H new ATOM 0 HE3 MET A 139 1.797 -22.292 1.532 1.00 0.00 H new ATOM 2052 N LYS A 140 5.413 -18.458 -2.843 1.00 0.00 N ATOM 2053 CA LYS A 140 6.070 -17.174 -3.064 1.00 0.00 C ATOM 2054 C LYS A 140 5.944 -16.280 -1.835 1.00 0.00 C ATOM 2055 O LYS A 140 4.899 -16.244 -1.186 1.00 0.00 O ATOM 2056 CB LYS A 140 5.468 -16.473 -4.284 1.00 0.00 C ATOM 2057 CG LYS A 140 6.259 -16.691 -5.563 1.00 0.00 C ATOM 2058 CD LYS A 140 5.632 -17.771 -6.429 1.00 0.00 C ATOM 2059 CE LYS A 140 5.853 -17.497 -7.907 1.00 0.00 C ATOM 2060 NZ LYS A 140 5.008 -16.374 -8.398 1.00 0.00 N ATOM 0 H LYS A 140 4.947 -18.841 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 140 7.128 -17.362 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 140 4.449 -16.830 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.405 -15.403 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 140 6.310 -15.758 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 140 7.283 -16.971 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 140 6.058 -18.740 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 140 4.563 -17.828 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 140 6.903 -17.263 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 140 5.629 -18.397 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 4.992 -16.381 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 4.039 -16.484 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 5.402 -15.471 -8.064 1.00 0.00 H new ATOM 2074 N TRP A 141 7.015 -15.559 -1.522 1.00 0.00 N ATOM 2075 CA TRP A 141 7.025 -14.664 -0.370 1.00 0.00 C ATOM 2076 C TRP A 141 7.829 -13.403 -0.669 1.00 0.00 C ATOM 2077 O TRP A 141 8.734 -13.413 -1.503 1.00 0.00 O ATOM 2078 CB TRP A 141 7.608 -15.377 0.851 1.00 0.00 C ATOM 2079 CG TRP A 141 9.025 -15.820 0.661 1.00 0.00 C ATOM 2080 CD1 TRP A 141 9.456 -17.072 0.326 1.00 0.00 C ATOM 2081 CD2 TRP A 141 10.200 -15.014 0.794 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.827 -17.093 0.244 1.00 0.00 N ATOM 2083 CE2 TRP A 141 11.307 -15.841 0.527 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.424 -13.671 1.113 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.617 -15.370 0.569 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.724 -13.205 1.154 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.805 -14.052 0.883 1.00 0.00 C ATOM 0 H TRP A 141 7.888 -15.577 -2.050 1.00 0.00 H new ATOM 0 HA TRP A 141 5.996 -14.375 -0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.556 -14.710 1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.992 -16.245 1.084 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.813 -17.922 0.151 1.00 0.00 H new ATOM 0 HE1 TRP A 141 11.395 -17.907 0.011 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.596 -13.010 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 13.453 -16.021 0.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.909 -12.170 1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.809 -13.656 0.923 1.00 0.00 H new ATOM 2098 N CYS A 142 7.489 -12.315 0.015 1.00 0.00 N ATOM 2099 CA CYS A 142 8.177 -11.043 -0.177 1.00 0.00 C ATOM 2100 C CYS A 142 8.627 -10.460 1.159 1.00 0.00 C ATOM 2101 O CYS A 142 8.575 -11.130 2.190 1.00 0.00 O ATOM 2102 CB CYS A 142 7.260 -10.052 -0.894 1.00 0.00 C ATOM 2103 SG CYS A 142 5.667 -9.777 -0.055 1.00 0.00 S ATOM 0 H CYS A 142 6.741 -12.289 0.708 1.00 0.00 H new ATOM 0 HA CYS A 142 9.060 -11.223 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.778 -9.098 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.069 -10.414 -1.904 1.00 0.00 H new ATOM 2108 N GLY A 143 9.067 -9.205 1.133 1.00 0.00 N ATOM 2109 CA GLY A 143 9.518 -8.552 2.347 1.00 0.00 C ATOM 2110 C GLY A 143 8.455 -7.658 2.955 1.00 0.00 C ATOM 2111 O GLY A 143 7.850 -6.839 2.262 1.00 0.00 O ATOM 0 H GLY A 143 9.119 -8.630 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.812 -9.308 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.406 -7.958 2.128 1.00 0.00 H new ATOM 2115 N THR A 144 8.228 -7.814 4.254 1.00 0.00 N ATOM 2116 CA THR A 144 7.233 -7.013 4.957 1.00 0.00 C ATOM 2117 C THR A 144 7.732 -5.590 5.188 1.00 0.00 C ATOM 2118 O THR A 144 7.027 -4.762 5.765 1.00 0.00 O ATOM 2119 CB THR A 144 6.865 -7.643 6.312 1.00 0.00 C ATOM 2120 OG1 THR A 144 8.053 -7.907 7.069 1.00 0.00 O ATOM 2121 CG2 THR A 144 6.087 -8.935 6.116 1.00 0.00 C ATOM 0 H THR A 144 8.719 -8.488 4.842 1.00 0.00 H new ATOM 0 HA THR A 144 6.346 -6.983 4.324 1.00 0.00 H new ATOM 0 HB THR A 144 6.236 -6.938 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.819 -7.474 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 144 5.839 -9.361 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 144 5.169 -8.727 5.566 1.00 0.00 H new ATOM 0 HG23 THR A 144 6.695 -9.644 5.554 1.00 0.00 H new ATOM 2129 N THR A 145 8.951 -5.312 4.732 1.00 0.00 N ATOM 2130 CA THR A 145 9.541 -3.989 4.889 1.00 0.00 C ATOM 2131 C THR A 145 10.342 -3.597 3.651 1.00 0.00 C ATOM 2132 O THR A 145 10.172 -4.181 2.580 1.00 0.00 O ATOM 2133 CB THR A 145 10.460 -3.928 6.123 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.659 -4.674 5.881 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.753 -4.482 7.352 1.00 0.00 C ATOM 0 H THR A 145 9.547 -5.986 4.252 1.00 0.00 H new ATOM 0 HA THR A 145 8.718 -3.287 5.024 1.00 0.00 H new ATOM 0 HB THR A 145 10.713 -2.884 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.238 -4.628 6.670 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.422 -4.429 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.857 -3.894 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.473 -5.520 7.174 1.00 0.00 H new ATOM 2143 N GLN A 146 11.214 -2.606 3.803 1.00 0.00 N ATOM 2144 CA GLN A 146 12.039 -2.139 2.694 1.00 0.00 C ATOM 2145 C GLN A 146 13.284 -3.005 2.536 1.00 0.00 C ATOM 2146 O GLN A 146 14.001 -2.906 1.540 1.00 0.00 O ATOM 2147 CB GLN A 146 12.444 -0.679 2.913 1.00 0.00 C ATOM 2148 CG GLN A 146 13.688 -0.514 3.771 1.00 0.00 C ATOM 2149 CD GLN A 146 13.496 0.490 4.891 1.00 0.00 C ATOM 2150 OE1 GLN A 146 12.825 1.508 4.720 1.00 0.00 O ATOM 2151 NE2 GLN A 146 14.086 0.208 6.047 1.00 0.00 N ATOM 0 H GLN A 146 11.368 -2.111 4.682 1.00 0.00 H new ATOM 0 HA GLN A 146 11.450 -2.214 1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 146 12.616 -0.209 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.616 -0.148 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 146 13.962 -1.479 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.519 -0.196 3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.633 -0.647 6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 146 13.992 0.847 6.837 1.00 0.00 H new ATOM 2160 N ASN A 147 13.537 -3.857 3.525 1.00 0.00 N ATOM 2161 CA ASN A 147 14.694 -4.743 3.497 1.00 0.00 C ATOM 2162 C ASN A 147 14.408 -6.032 4.264 1.00 0.00 C ATOM 2163 O ASN A 147 14.537 -6.082 5.487 1.00 0.00 O ATOM 2164 CB ASN A 147 15.915 -4.035 4.086 1.00 0.00 C ATOM 2165 CG ASN A 147 16.403 -2.900 3.208 1.00 0.00 C ATOM 2166 OD1 ASN A 147 15.660 -1.965 2.910 1.00 0.00 O ATOM 2167 ND2 ASN A 147 17.662 -2.976 2.789 1.00 0.00 N ATOM 0 H ASN A 147 12.955 -3.952 4.357 1.00 0.00 H new ATOM 0 HA ASN A 147 14.903 -5.002 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 147 15.665 -3.646 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.720 -4.757 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 147 18.047 -2.241 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 147 18.243 -3.769 3.060 1.00 0.00 H new ATOM 2174 N TYR A 148 14.009 -7.068 3.533 1.00 0.00 N ATOM 2175 CA TYR A 148 13.694 -8.360 4.137 1.00 0.00 C ATOM 2176 C TYR A 148 14.893 -8.925 4.891 1.00 0.00 C ATOM 2177 O TYR A 148 14.797 -9.252 6.074 1.00 0.00 O ATOM 2178 CB TYR A 148 13.239 -9.347 3.058 1.00 0.00 C ATOM 2179 CG TYR A 148 13.363 -10.799 3.467 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.671 -11.293 4.564 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.170 -11.673 2.752 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.781 -12.620 4.938 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.286 -12.999 3.119 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.590 -13.468 4.212 1.00 0.00 C ATOM 2185 OH TYR A 148 13.702 -14.789 4.580 1.00 0.00 O ATOM 0 H TYR A 148 13.896 -7.039 2.520 1.00 0.00 H new ATOM 0 HA TYR A 148 12.885 -8.210 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.200 -9.139 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.828 -9.182 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 148 12.037 -10.631 5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.716 -11.310 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 148 12.236 -12.990 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.919 -13.665 2.552 1.00 0.00 H new ATOM 0 HH TYR A 148 14.309 -15.250 3.964 1.00 0.00 H new ATOM 2195 N ASP A 149 16.023 -9.040 4.199 1.00 0.00 N ATOM 2196 CA ASP A 149 17.240 -9.569 4.806 1.00 0.00 C ATOM 2197 C ASP A 149 17.778 -8.623 5.876 1.00 0.00 C ATOM 2198 O ASP A 149 18.724 -8.953 6.591 1.00 0.00 O ATOM 2199 CB ASP A 149 18.306 -9.803 3.736 1.00 0.00 C ATOM 2200 CG ASP A 149 18.124 -11.126 3.017 1.00 0.00 C ATOM 2201 OD1 ASP A 149 17.167 -11.855 3.350 1.00 0.00 O ATOM 2202 OD2 ASP A 149 18.938 -11.431 2.121 1.00 0.00 O ATOM 0 H ASP A 149 16.121 -8.774 3.219 1.00 0.00 H new ATOM 0 HA ASP A 149 16.993 -10.518 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 149 18.272 -8.991 3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 149 19.293 -9.777 4.198 1.00 0.00 H new ATOM 2207 N ALA A 150 17.168 -7.446 5.982 1.00 0.00 N ATOM 2208 CA ALA A 150 17.586 -6.456 6.965 1.00 0.00 C ATOM 2209 C ALA A 150 16.922 -6.710 8.312 1.00 0.00 C ATOM 2210 O ALA A 150 17.552 -6.578 9.361 1.00 0.00 O ATOM 2211 CB ALA A 150 17.253 -5.058 6.468 1.00 0.00 C ATOM 0 H ALA A 150 16.383 -7.156 5.399 1.00 0.00 H new ATOM 0 HA ALA A 150 18.664 -6.539 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.569 -4.324 7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 150 17.773 -4.872 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.178 -4.975 6.310 1.00 0.00 H new ATOM 2217 N ASP A 151 15.646 -7.079 8.275 1.00 0.00 N ATOM 2218 CA ASP A 151 14.895 -7.353 9.494 1.00 0.00 C ATOM 2219 C ASP A 151 14.550 -8.834 9.600 1.00 0.00 C ATOM 2220 O ASP A 151 14.117 -9.306 10.651 1.00 0.00 O ATOM 2221 CB ASP A 151 13.616 -6.515 9.529 1.00 0.00 C ATOM 2222 CG ASP A 151 13.041 -6.396 10.927 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.761 -7.444 11.545 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.871 -5.254 11.403 1.00 0.00 O ATOM 0 H ASP A 151 15.111 -7.195 7.414 1.00 0.00 H new ATOM 0 HA ASP A 151 15.521 -7.083 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.827 -5.519 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.873 -6.964 8.870 1.00 0.00 H new ATOM 2229 N GLN A 152 14.746 -9.563 8.507 1.00 0.00 N ATOM 2230 CA GLN A 152 14.456 -10.993 8.479 1.00 0.00 C ATOM 2231 C GLN A 152 12.954 -11.244 8.569 1.00 0.00 C ATOM 2232 O GLN A 152 12.518 -12.283 9.063 1.00 0.00 O ATOM 2233 CB GLN A 152 15.174 -11.702 9.628 1.00 0.00 C ATOM 2234 CG GLN A 152 16.686 -11.558 9.582 1.00 0.00 C ATOM 2235 CD GLN A 152 17.398 -12.892 9.487 1.00 0.00 C ATOM 2236 OE1 GLN A 152 18.011 -13.352 10.450 1.00 0.00 O ATOM 2237 NE2 GLN A 152 17.318 -13.524 8.322 1.00 0.00 N ATOM 0 H GLN A 152 15.104 -9.188 7.629 1.00 0.00 H new ATOM 0 HA GLN A 152 14.817 -11.394 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 152 14.808 -11.304 10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.918 -12.761 9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 152 16.962 -10.942 8.726 1.00 0.00 H new ATOM 0 HG3 GLN A 152 17.024 -11.033 10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 152 16.799 -13.106 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 152 17.775 -14.427 8.199 1.00 0.00 H new ATOM 2246 N LYS A 153 12.169 -10.286 8.088 1.00 0.00 N ATOM 2247 CA LYS A 153 10.715 -10.403 8.114 1.00 0.00 C ATOM 2248 C LYS A 153 10.172 -10.717 6.724 1.00 0.00 C ATOM 2249 O LYS A 153 10.206 -9.874 5.828 1.00 0.00 O ATOM 2250 CB LYS A 153 10.088 -9.112 8.641 1.00 0.00 C ATOM 2251 CG LYS A 153 10.667 -8.650 9.968 1.00 0.00 C ATOM 2252 CD LYS A 153 9.667 -7.818 10.754 1.00 0.00 C ATOM 2253 CE LYS A 153 9.050 -8.615 11.891 1.00 0.00 C ATOM 2254 NZ LYS A 153 7.631 -8.234 12.132 1.00 0.00 N ATOM 0 H LYS A 153 12.515 -9.420 7.675 1.00 0.00 H new ATOM 0 HA LYS A 153 10.452 -11.224 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 153 10.224 -8.324 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 153 9.014 -9.260 8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.964 -9.517 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.568 -8.063 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 153 10.163 -6.934 11.155 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.880 -7.466 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 153 9.106 -9.679 11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 153 9.628 -8.456 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 7.527 -7.880 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 7.353 -7.490 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 7.021 -9.066 11.999 1.00 0.00 H new ATOM 2268 N PHE A 154 9.670 -11.936 6.553 1.00 0.00 N ATOM 2269 CA PHE A 154 9.118 -12.362 5.271 1.00 0.00 C ATOM 2270 C PHE A 154 7.595 -12.391 5.318 1.00 0.00 C ATOM 2271 O PHE A 154 6.994 -12.263 6.385 1.00 0.00 O ATOM 2272 CB PHE A 154 9.656 -13.743 4.895 1.00 0.00 C ATOM 2273 CG PHE A 154 9.104 -14.854 5.741 1.00 0.00 C ATOM 2274 CD1 PHE A 154 7.844 -15.373 5.492 1.00 0.00 C ATOM 2275 CD2 PHE A 154 9.845 -15.378 6.788 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.333 -16.395 6.269 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.341 -16.400 7.569 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.083 -16.908 7.310 1.00 0.00 C ATOM 0 H PHE A 154 9.634 -12.646 7.285 1.00 0.00 H new ATOM 0 HA PHE A 154 9.426 -11.642 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 154 9.421 -13.943 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.742 -13.737 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.254 -14.974 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.828 -14.983 6.996 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.350 -16.792 6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 154 9.930 -16.801 8.381 1.00 0.00 H new ATOM 0 HZ PHE A 154 7.686 -17.705 7.921 1.00 0.00 H new ATOM 2288 N GLY A 155 6.974 -12.558 4.154 1.00 0.00 N ATOM 2289 CA GLY A 155 5.526 -12.597 4.088 1.00 0.00 C ATOM 2290 C GLY A 155 5.017 -13.357 2.879 1.00 0.00 C ATOM 2291 O GLY A 155 5.394 -13.059 1.746 1.00 0.00 O ATOM 0 H GLY A 155 7.448 -12.667 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 155 5.137 -13.061 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 155 5.140 -11.578 4.061 1.00 0.00 H new ATOM 2295 N PHE A 156 4.153 -14.338 3.120 1.00 0.00 N ATOM 2296 CA PHE A 156 3.587 -15.136 2.040 1.00 0.00 C ATOM 2297 C PHE A 156 2.530 -14.336 1.289 1.00 0.00 C ATOM 2298 O PHE A 156 1.563 -13.862 1.882 1.00 0.00 O ATOM 2299 CB PHE A 156 2.975 -16.425 2.593 1.00 0.00 C ATOM 2300 CG PHE A 156 3.959 -17.292 3.324 1.00 0.00 C ATOM 2301 CD1 PHE A 156 5.148 -17.672 2.722 1.00 0.00 C ATOM 2302 CD2 PHE A 156 3.697 -17.727 4.613 1.00 0.00 C ATOM 2303 CE1 PHE A 156 6.056 -18.470 3.392 1.00 0.00 C ATOM 2304 CE2 PHE A 156 4.601 -18.525 5.288 1.00 0.00 C ATOM 2305 CZ PHE A 156 5.781 -18.897 4.676 1.00 0.00 C ATOM 0 H PHE A 156 3.830 -14.599 4.052 1.00 0.00 H new ATOM 0 HA PHE A 156 4.388 -15.398 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.158 -16.169 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.543 -16.994 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 156 5.368 -17.341 1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.775 -17.439 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 156 6.979 -18.759 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 156 4.385 -18.857 6.293 1.00 0.00 H new ATOM 0 HZ PHE A 156 6.489 -19.522 5.201 1.00 0.00 H new ATOM 2315 N CYS A 157 2.723 -14.183 -0.016 1.00 0.00 N ATOM 2316 CA CYS A 157 1.786 -13.428 -0.841 1.00 0.00 C ATOM 2317 C CYS A 157 0.687 -14.329 -1.392 1.00 0.00 C ATOM 2318 O CYS A 157 0.756 -15.553 -1.283 1.00 0.00 O ATOM 2319 CB CYS A 157 2.527 -12.746 -1.993 1.00 0.00 C ATOM 2320 SG CYS A 157 2.760 -13.804 -3.460 1.00 0.00 S ATOM 0 H CYS A 157 3.518 -14.570 -0.525 1.00 0.00 H new ATOM 0 HA CYS A 157 1.321 -12.669 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.976 -11.853 -2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 157 3.503 -12.416 -1.638 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.346 -13.721 -1.993 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.477 -14.458 -2.568 1.00 0.00 C ATOM 2327 C PRO A 158 -1.036 -15.443 -3.646 1.00 0.00 C ATOM 2328 O PRO A 158 0.091 -15.378 -4.136 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.354 -13.357 -3.176 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.952 -12.108 -2.468 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.492 -12.266 -2.156 1.00 0.00 C ATOM 0 HA PRO A 158 -1.990 -15.062 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.191 -13.271 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.413 -13.570 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.126 -11.232 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.534 -11.971 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.137 -11.885 -2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -0.212 -11.728 -1.250 1.00 0.00 H new