USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1110 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 96 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.19) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= -0.0576 USER MOD Set 2.1: A 31 TYR OH : rot -178:sc= 1.16 USER MOD Set 2.2: A 50 CYS SG : rot 76:sc= 0.728 USER MOD Set 2.3: A 55 SER OG : rot -144:sc= 1.25 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 ASN : amide:sc= 0.75 X(o=0.75,f=0.65) USER MOD Single : A 10 GLN : amide:sc= 1.75 K(o=1.7,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.129 USER MOD Single : A 27 CYS SG : rot 70:sc= 0.684 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-6.1!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.12! C(o=-4.1!,f=-5.2!) USER MOD Single : A 48 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 62 THR OG1 : rot 158:sc= 1.24 USER MOD Single : A 64 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.422 K(o=0.42,f=-2.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00982 K(o=-0.0098,f=-0.57) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.2!) USER MOD Single : A 79 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.1) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 93:sc= 1.34 USER MOD Single : A 87 TYR OH : rot 30:sc= 0.191 USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= -0.0323 (180deg=-0.0624) USER MOD Single : A 103 MET CE :methyl -176:sc= -1.46 (180deg=-1.54) USER MOD Single : A 106 ASN : amide:sc= 1 K(o=1,f=-0.98) USER MOD Single : A 109 CYS SG : rot -110:sc= -0.594 USER MOD Single : A 113 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0136) USER MOD Single : A 119 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-3.2!) USER MOD Single : A 124 MET CE :methyl 171:sc= -0.249 (180deg=-0.418) USER MOD Single : A 126 CYS SG : rot -14:sc= 0.506 USER MOD Single : A 135 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 136 GLN : amide:sc= 0.188 K(o=0.19,f=-3!) USER MOD Single : A 142 GLN : amide:sc=-0.00483 X(o=-0.0048,f=0) USER MOD Single : A 143 GLN :FLIP amide:sc= -0.586 F(o=-3.9!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 4 18.312 4.964 9.606 1.00 1.00 N ATOM 37 CA PRO A 4 18.053 4.065 8.498 1.00 1.00 C ATOM 38 C PRO A 4 16.813 4.479 7.717 1.00 1.00 C ATOM 39 O PRO A 4 15.775 4.838 8.280 1.00 1.00 O ATOM 40 CB PRO A 4 17.831 2.689 9.125 1.00 1.00 C ATOM 41 CG PRO A 4 17.240 3.012 10.496 1.00 1.00 C ATOM 42 CD PRO A 4 17.890 4.348 10.856 1.00 1.00 C ATOM 0 HA PRO A 4 18.885 4.074 7.794 1.00 1.00 H new ATOM 0 HB2 PRO A 4 17.151 2.081 8.528 1.00 1.00 H new ATOM 0 HB3 PRO A 4 18.764 2.132 9.211 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.154 3.091 10.457 1.00 1.00 H new ATOM 0 HG3 PRO A 4 17.477 2.240 11.228 1.00 1.00 H new ATOM 0 HD2 PRO A 4 17.185 4.990 11.384 1.00 1.00 H new ATOM 0 HD3 PRO A 4 18.742 4.197 11.519 1.00 1.00 H new ATOM 50 N ARG A 5 16.890 4.278 6.406 1.00 1.00 N ATOM 51 CA ARG A 5 15.733 4.217 5.516 1.00 1.00 C ATOM 52 C ARG A 5 15.864 3.084 4.505 1.00 1.00 C ATOM 53 O ARG A 5 14.856 2.673 3.945 1.00 1.00 O ATOM 54 CB ARG A 5 15.500 5.556 4.787 1.00 1.00 C ATOM 55 CG ARG A 5 15.042 6.749 5.645 1.00 1.00 C ATOM 56 CD ARG A 5 13.518 6.793 5.819 1.00 1.00 C ATOM 57 NE ARG A 5 12.975 5.679 6.620 1.00 1.00 N ATOM 58 CZ ARG A 5 11.745 5.155 6.496 1.00 1.00 C ATOM 59 NH1 ARG A 5 10.873 5.645 5.624 1.00 1.00 N ATOM 60 NH2 ARG A 5 11.387 4.131 7.260 1.00 1.00 N ATOM 0 H ARG A 5 17.778 4.150 5.920 1.00 1.00 H new ATOM 0 HA ARG A 5 14.865 4.018 6.145 1.00 1.00 H new ATOM 0 HB2 ARG A 5 16.427 5.835 4.287 1.00 1.00 H new ATOM 0 HB3 ARG A 5 14.755 5.393 4.009 1.00 1.00 H new ATOM 0 HG2 ARG A 5 15.515 6.691 6.625 1.00 1.00 H new ATOM 0 HG3 ARG A 5 15.379 7.677 5.182 1.00 1.00 H new ATOM 0 HD2 ARG A 5 13.243 7.736 6.292 1.00 1.00 H new ATOM 0 HD3 ARG A 5 13.049 6.782 4.835 1.00 1.00 H new ATOM 0 HE ARG A 5 13.586 5.272 7.328 1.00 1.00 H new ATOM 0 HH11 ARG A 5 11.132 6.434 5.032 1.00 1.00 H new ATOM 0 HH12 ARG A 5 9.944 5.232 5.545 1.00 1.00 H new ATOM 0 HH21 ARG A 5 12.045 3.746 7.937 1.00 1.00 H new ATOM 0 HH22 ARG A 5 10.454 3.729 7.170 1.00 1.00 H new ATOM 74 N VAL A 6 17.061 2.535 4.305 1.00 1.00 N ATOM 75 CA VAL A 6 17.325 1.515 3.301 1.00 1.00 C ATOM 76 C VAL A 6 18.252 0.451 3.886 1.00 1.00 C ATOM 77 O VAL A 6 18.897 0.699 4.907 1.00 1.00 O ATOM 78 CB VAL A 6 17.921 2.149 2.028 1.00 1.00 C ATOM 79 CG1 VAL A 6 17.098 3.341 1.542 1.00 1.00 C ATOM 80 CG2 VAL A 6 19.362 2.625 2.225 1.00 1.00 C ATOM 0 H VAL A 6 17.886 2.793 4.847 1.00 1.00 H new ATOM 0 HA VAL A 6 16.388 1.036 3.016 1.00 1.00 H new ATOM 0 HB VAL A 6 17.902 1.353 1.283 1.00 1.00 H new ATOM 0 HG11 VAL A 6 17.554 3.756 0.643 1.00 1.00 H new ATOM 0 HG12 VAL A 6 16.083 3.014 1.316 1.00 1.00 H new ATOM 0 HG13 VAL A 6 17.069 4.104 2.320 1.00 1.00 H new ATOM 0 HG21 VAL A 6 19.731 3.062 1.297 1.00 1.00 H new ATOM 0 HG22 VAL A 6 19.393 3.374 3.017 1.00 1.00 H new ATOM 0 HG23 VAL A 6 19.990 1.778 2.502 1.00 1.00 H new ATOM 90 N VAL A 7 18.365 -0.692 3.217 1.00 1.00 N ATOM 91 CA VAL A 7 19.458 -1.656 3.326 1.00 1.00 C ATOM 92 C VAL A 7 20.327 -1.525 2.057 1.00 1.00 C ATOM 93 O VAL A 7 19.874 -0.907 1.090 1.00 1.00 O ATOM 94 CB VAL A 7 18.895 -3.076 3.572 1.00 1.00 C ATOM 95 CG1 VAL A 7 17.890 -3.122 4.726 1.00 1.00 C ATOM 96 CG2 VAL A 7 18.239 -3.708 2.337 1.00 1.00 C ATOM 0 H VAL A 7 17.657 -0.989 2.546 1.00 1.00 H new ATOM 0 HA VAL A 7 20.097 -1.454 4.185 1.00 1.00 H new ATOM 0 HB VAL A 7 19.779 -3.660 3.830 1.00 1.00 H new ATOM 0 HG11 VAL A 7 17.528 -4.142 4.853 1.00 1.00 H new ATOM 0 HG12 VAL A 7 18.375 -2.792 5.645 1.00 1.00 H new ATOM 0 HG13 VAL A 7 17.050 -2.464 4.503 1.00 1.00 H new ATOM 0 HG21 VAL A 7 17.869 -4.702 2.590 1.00 1.00 H new ATOM 0 HG22 VAL A 7 17.408 -3.085 2.007 1.00 1.00 H new ATOM 0 HG23 VAL A 7 18.973 -3.787 1.535 1.00 1.00 H new ATOM 106 N PRO A 8 21.549 -2.087 1.996 1.00 1.00 N ATOM 107 CA PRO A 8 22.408 -1.927 0.826 1.00 1.00 C ATOM 108 C PRO A 8 21.808 -2.658 -0.367 1.00 1.00 C ATOM 109 O PRO A 8 21.566 -2.105 -1.442 1.00 1.00 O ATOM 110 CB PRO A 8 23.757 -2.514 1.235 1.00 1.00 C ATOM 111 CG PRO A 8 23.490 -3.443 2.412 1.00 1.00 C ATOM 112 CD PRO A 8 22.191 -2.912 3.011 1.00 1.00 C ATOM 0 HA PRO A 8 22.514 -0.886 0.521 1.00 1.00 H new ATOM 0 HB2 PRO A 8 24.209 -3.059 0.406 1.00 1.00 H new ATOM 0 HB3 PRO A 8 24.454 -1.724 1.515 1.00 1.00 H new ATOM 0 HG2 PRO A 8 23.387 -4.479 2.088 1.00 1.00 H new ATOM 0 HG3 PRO A 8 24.305 -3.415 3.136 1.00 1.00 H new ATOM 0 HD2 PRO A 8 21.539 -3.735 3.305 1.00 1.00 H new ATOM 0 HD3 PRO A 8 22.393 -2.328 3.909 1.00 1.00 H new ATOM 120 N ASP A 9 21.591 -3.944 -0.146 1.00 1.00 N ATOM 121 CA ASP A 9 21.056 -4.892 -1.115 1.00 1.00 C ATOM 122 C ASP A 9 19.521 -4.906 -1.040 1.00 1.00 C ATOM 123 O ASP A 9 18.911 -5.924 -0.689 1.00 1.00 O ATOM 124 CB ASP A 9 21.689 -6.274 -0.860 1.00 1.00 C ATOM 125 CG ASP A 9 21.924 -7.101 -2.117 1.00 1.00 C ATOM 126 OD1 ASP A 9 21.960 -6.537 -3.232 1.00 1.00 O ATOM 127 OD2 ASP A 9 22.141 -8.321 -1.992 1.00 1.00 O ATOM 0 H ASP A 9 21.792 -4.378 0.755 1.00 1.00 H new ATOM 0 HA ASP A 9 21.312 -4.597 -2.133 1.00 1.00 H new ATOM 0 HB2 ASP A 9 22.641 -6.135 -0.348 1.00 1.00 H new ATOM 0 HB3 ASP A 9 21.044 -6.837 -0.185 1.00 1.00 H new ATOM 132 N GLN A 10 18.874 -3.765 -1.316 1.00 1.00 N ATOM 133 CA GLN A 10 17.417 -3.630 -1.293 1.00 1.00 C ATOM 134 C GLN A 10 16.780 -4.709 -2.166 1.00 1.00 C ATOM 135 O GLN A 10 15.866 -5.402 -1.723 1.00 1.00 O ATOM 136 CB GLN A 10 16.936 -2.245 -1.774 1.00 1.00 C ATOM 137 CG GLN A 10 17.295 -1.062 -0.863 1.00 1.00 C ATOM 138 CD GLN A 10 16.363 0.137 -1.087 1.00 1.00 C ATOM 139 OE1 GLN A 10 15.140 0.002 -1.078 1.00 1.00 O ATOM 140 NE2 GLN A 10 16.899 1.327 -1.284 1.00 1.00 N ATOM 0 H GLN A 10 19.357 -2.901 -1.564 1.00 1.00 H new ATOM 0 HA GLN A 10 17.109 -3.744 -0.254 1.00 1.00 H new ATOM 0 HB2 GLN A 10 17.355 -2.059 -2.763 1.00 1.00 H new ATOM 0 HB3 GLN A 10 15.852 -2.276 -1.888 1.00 1.00 H new ATOM 0 HG2 GLN A 10 17.238 -1.376 0.179 1.00 1.00 H new ATOM 0 HG3 GLN A 10 18.326 -0.760 -1.049 1.00 1.00 H new ATOM 0 HE21 GLN A 10 17.913 1.435 -1.291 1.00 1.00 H new ATOM 0 HE22 GLN A 10 16.299 2.139 -1.429 1.00 1.00 H new ATOM 149 N ARG A 11 17.266 -4.885 -3.398 1.00 1.00 N ATOM 150 CA ARG A 11 16.654 -5.812 -4.348 1.00 1.00 C ATOM 151 C ARG A 11 16.822 -7.266 -3.922 1.00 1.00 C ATOM 152 O ARG A 11 15.999 -8.099 -4.313 1.00 1.00 O ATOM 153 CB ARG A 11 17.269 -5.598 -5.741 1.00 1.00 C ATOM 154 CG ARG A 11 16.427 -6.150 -6.907 1.00 1.00 C ATOM 155 CD ARG A 11 15.224 -5.257 -7.234 1.00 1.00 C ATOM 156 NE ARG A 11 15.648 -4.018 -7.909 1.00 1.00 N ATOM 157 CZ ARG A 11 15.491 -3.671 -9.191 1.00 1.00 C ATOM 158 NH1 ARG A 11 14.807 -4.433 -10.036 1.00 1.00 N ATOM 159 NH2 ARG A 11 16.017 -2.540 -9.638 1.00 1.00 N ATOM 0 H ARG A 11 18.084 -4.395 -3.760 1.00 1.00 H new ATOM 0 HA ARG A 11 15.584 -5.604 -4.375 1.00 1.00 H new ATOM 0 HB2 ARG A 11 17.423 -4.530 -5.895 1.00 1.00 H new ATOM 0 HB3 ARG A 11 18.252 -6.068 -5.766 1.00 1.00 H new ATOM 0 HG2 ARG A 11 17.056 -6.246 -7.792 1.00 1.00 H new ATOM 0 HG3 ARG A 11 16.075 -7.151 -6.656 1.00 1.00 H new ATOM 0 HD2 ARG A 11 14.527 -5.801 -7.871 1.00 1.00 H new ATOM 0 HD3 ARG A 11 14.691 -5.010 -6.316 1.00 1.00 H new ATOM 0 HE ARG A 11 16.124 -3.334 -7.321 1.00 1.00 H new ATOM 0 HH11 ARG A 11 14.387 -5.304 -9.712 1.00 1.00 H new ATOM 0 HH12 ARG A 11 14.701 -4.147 -11.009 1.00 1.00 H new ATOM 0 HH21 ARG A 11 16.541 -1.936 -9.005 1.00 1.00 H new ATOM 0 HH22 ARG A 11 15.898 -2.274 -10.615 1.00 1.00 H new ATOM 173 N SER A 12 17.837 -7.593 -3.118 1.00 1.00 N ATOM 174 CA SER A 12 17.906 -8.934 -2.581 1.00 1.00 C ATOM 175 C SER A 12 16.935 -9.040 -1.422 1.00 1.00 C ATOM 176 O SER A 12 16.157 -9.992 -1.391 1.00 1.00 O ATOM 177 CB SER A 12 19.348 -9.267 -2.216 1.00 1.00 C ATOM 178 OG SER A 12 19.514 -10.646 -1.946 1.00 1.00 O ATOM 0 H SER A 12 18.592 -6.967 -2.838 1.00 1.00 H new ATOM 0 HA SER A 12 17.606 -9.678 -3.318 1.00 1.00 H new ATOM 0 HB2 SER A 12 20.007 -8.974 -3.033 1.00 1.00 H new ATOM 0 HB3 SER A 12 19.646 -8.687 -1.343 1.00 1.00 H new ATOM 0 HG SER A 12 20.450 -10.824 -1.717 1.00 1.00 H new ATOM 184 N LYS A 13 16.904 -8.068 -0.503 1.00 1.00 N ATOM 185 CA LYS A 13 16.036 -8.175 0.663 1.00 1.00 C ATOM 186 C LYS A 13 14.574 -8.230 0.237 1.00 1.00 C ATOM 187 O LYS A 13 13.853 -9.027 0.821 1.00 1.00 O ATOM 188 CB LYS A 13 16.323 -7.056 1.659 1.00 1.00 C ATOM 189 CG LYS A 13 15.809 -7.332 3.089 1.00 1.00 C ATOM 190 CD LYS A 13 16.946 -7.681 4.065 1.00 1.00 C ATOM 191 CE LYS A 13 17.661 -8.982 3.676 1.00 1.00 C ATOM 192 NZ LYS A 13 19.070 -8.999 4.113 1.00 1.00 N ATOM 0 H LYS A 13 17.461 -7.215 -0.546 1.00 1.00 H new ATOM 0 HA LYS A 13 16.249 -9.110 1.181 1.00 1.00 H new ATOM 0 HB2 LYS A 13 17.399 -6.887 1.698 1.00 1.00 H new ATOM 0 HB3 LYS A 13 15.869 -6.135 1.294 1.00 1.00 H new ATOM 0 HG2 LYS A 13 15.276 -6.455 3.456 1.00 1.00 H new ATOM 0 HG3 LYS A 13 15.092 -8.153 3.062 1.00 1.00 H new ATOM 0 HD2 LYS A 13 17.667 -6.864 4.088 1.00 1.00 H new ATOM 0 HD3 LYS A 13 16.542 -7.777 5.073 1.00 1.00 H new ATOM 0 HE2 LYS A 13 17.136 -9.829 4.118 1.00 1.00 H new ATOM 0 HE3 LYS A 13 17.617 -9.109 2.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 19.511 -9.897 3.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 19.580 -8.207 3.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 19.114 -8.905 5.148 1.00 1.00 H new ATOM 206 N PHE A 14 14.189 -7.499 -0.816 1.00 1.00 N ATOM 207 CA PHE A 14 12.889 -7.531 -1.489 1.00 1.00 C ATOM 208 C PHE A 14 12.389 -8.959 -1.730 1.00 1.00 C ATOM 209 O PHE A 14 11.187 -9.216 -1.664 1.00 1.00 O ATOM 210 CB PHE A 14 13.046 -6.753 -2.814 1.00 1.00 C ATOM 211 CG PHE A 14 12.057 -7.043 -3.931 1.00 1.00 C ATOM 212 CD1 PHE A 14 10.675 -7.018 -3.682 1.00 1.00 C ATOM 213 CD2 PHE A 14 12.523 -7.349 -5.226 1.00 1.00 C ATOM 214 CE1 PHE A 14 9.762 -7.311 -4.709 1.00 1.00 C ATOM 215 CE2 PHE A 14 11.611 -7.647 -6.255 1.00 1.00 C ATOM 216 CZ PHE A 14 10.229 -7.625 -5.998 1.00 1.00 C ATOM 0 H PHE A 14 14.821 -6.825 -1.248 1.00 1.00 H new ATOM 0 HA PHE A 14 12.133 -7.067 -0.855 1.00 1.00 H new ATOM 0 HB2 PHE A 14 12.990 -5.689 -2.585 1.00 1.00 H new ATOM 0 HB3 PHE A 14 14.048 -6.944 -3.197 1.00 1.00 H new ATOM 0 HD1 PHE A 14 10.312 -6.772 -2.695 1.00 1.00 H new ATOM 0 HD2 PHE A 14 13.584 -7.355 -5.429 1.00 1.00 H new ATOM 0 HE1 PHE A 14 8.701 -7.295 -4.508 1.00 1.00 H new ATOM 0 HE2 PHE A 14 11.973 -7.893 -7.243 1.00 1.00 H new ATOM 0 HZ PHE A 14 9.528 -7.849 -6.788 1.00 1.00 H new ATOM 226 N GLU A 15 13.299 -9.890 -2.003 1.00 1.00 N ATOM 227 CA GLU A 15 12.957 -11.258 -2.365 1.00 1.00 C ATOM 228 C GLU A 15 13.461 -12.269 -1.333 1.00 1.00 C ATOM 229 O GLU A 15 13.098 -13.439 -1.413 1.00 1.00 O ATOM 230 CB GLU A 15 13.525 -11.509 -3.766 1.00 1.00 C ATOM 231 CG GLU A 15 12.702 -10.769 -4.835 1.00 1.00 C ATOM 232 CD GLU A 15 11.742 -11.713 -5.552 1.00 1.00 C ATOM 233 OE1 GLU A 15 10.670 -12.047 -4.996 1.00 1.00 O ATOM 234 OE2 GLU A 15 12.102 -12.172 -6.664 1.00 1.00 O ATOM 0 H GLU A 15 14.303 -9.712 -1.978 1.00 1.00 H new ATOM 0 HA GLU A 15 11.875 -11.391 -2.375 1.00 1.00 H new ATOM 0 HB2 GLU A 15 14.563 -11.177 -3.807 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.524 -12.578 -3.977 1.00 1.00 H new ATOM 0 HG2 GLU A 15 12.139 -9.961 -4.368 1.00 1.00 H new ATOM 0 HG3 GLU A 15 13.374 -10.311 -5.561 1.00 1.00 H new ATOM 241 N ASN A 16 14.283 -11.862 -0.361 1.00 1.00 N ATOM 242 CA ASN A 16 14.755 -12.701 0.721 1.00 1.00 C ATOM 243 C ASN A 16 13.743 -12.686 1.858 1.00 1.00 C ATOM 244 O ASN A 16 13.290 -13.764 2.239 1.00 1.00 O ATOM 245 CB ASN A 16 16.129 -12.223 1.201 1.00 1.00 C ATOM 246 CG ASN A 16 17.279 -12.793 0.384 1.00 1.00 C ATOM 247 OD1 ASN A 16 18.115 -13.539 0.880 1.00 1.00 O ATOM 248 ND2 ASN A 16 17.360 -12.468 -0.895 1.00 1.00 N ATOM 0 H ASN A 16 14.644 -10.909 -0.313 1.00 1.00 H new ATOM 0 HA ASN A 16 14.862 -13.726 0.365 1.00 1.00 H new ATOM 0 HB2 ASN A 16 16.164 -11.134 1.156 1.00 1.00 H new ATOM 0 HB3 ASN A 16 16.260 -12.504 2.246 1.00 1.00 H new ATOM 0 HD21 ASN A 16 18.118 -12.838 -1.468 1.00 1.00 H new ATOM 0 HD22 ASN A 16 16.664 -11.847 -1.308 1.00 1.00 H new ATOM 255 N GLU A 17 13.422 -11.501 2.406 1.00 1.00 N ATOM 256 CA GLU A 17 12.590 -11.349 3.593 1.00 1.00 C ATOM 257 C GLU A 17 11.341 -12.223 3.569 1.00 1.00 C ATOM 258 O GLU A 17 10.492 -12.107 2.681 1.00 1.00 O ATOM 259 CB GLU A 17 12.212 -9.872 3.745 1.00 1.00 C ATOM 260 CG GLU A 17 12.850 -9.213 4.951 1.00 1.00 C ATOM 261 CD GLU A 17 11.983 -9.311 6.215 1.00 1.00 C ATOM 262 OE1 GLU A 17 11.406 -10.391 6.484 1.00 1.00 O ATOM 263 OE2 GLU A 17 11.899 -8.299 6.956 1.00 1.00 O ATOM 0 H GLU A 17 13.743 -10.612 2.023 1.00 1.00 H new ATOM 0 HA GLU A 17 13.171 -11.685 4.451 1.00 1.00 H new ATOM 0 HB2 GLU A 17 12.509 -9.333 2.845 1.00 1.00 H new ATOM 0 HB3 GLU A 17 11.128 -9.787 3.824 1.00 1.00 H new ATOM 0 HG2 GLU A 17 13.817 -9.678 5.143 1.00 1.00 H new ATOM 0 HG3 GLU A 17 13.039 -8.163 4.727 1.00 1.00 H new ATOM 270 N GLU A 18 11.209 -13.069 4.587 1.00 1.00 N ATOM 271 CA GLU A 18 10.044 -13.896 4.816 1.00 1.00 C ATOM 272 C GLU A 18 8.778 -13.052 4.938 1.00 1.00 C ATOM 273 O GLU A 18 7.712 -13.512 4.530 1.00 1.00 O ATOM 274 CB GLU A 18 10.269 -14.691 6.098 1.00 1.00 C ATOM 275 CG GLU A 18 11.275 -15.820 5.879 1.00 1.00 C ATOM 276 CD GLU A 18 11.596 -16.579 7.159 1.00 1.00 C ATOM 277 OE1 GLU A 18 10.691 -16.805 7.997 1.00 1.00 O ATOM 278 OE2 GLU A 18 12.762 -16.994 7.323 1.00 1.00 O ATOM 0 H GLU A 18 11.935 -13.196 5.292 1.00 1.00 H new ATOM 0 HA GLU A 18 9.907 -14.567 3.968 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.630 -14.026 6.883 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.322 -15.106 6.443 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.879 -16.515 5.139 1.00 1.00 H new ATOM 0 HG3 GLU A 18 12.195 -15.406 5.467 1.00 1.00 H new ATOM 285 N PHE A 19 8.885 -11.812 5.433 1.00 1.00 N ATOM 286 CA PHE A 19 7.764 -10.898 5.479 1.00 1.00 C ATOM 287 C PHE A 19 7.251 -10.691 4.055 1.00 1.00 C ATOM 288 O PHE A 19 6.057 -10.836 3.810 1.00 1.00 O ATOM 289 CB PHE A 19 8.185 -9.602 6.182 1.00 1.00 C ATOM 290 CG PHE A 19 7.045 -8.630 6.381 1.00 1.00 C ATOM 291 CD1 PHE A 19 6.676 -7.802 5.314 1.00 1.00 C ATOM 292 CD2 PHE A 19 6.335 -8.571 7.596 1.00 1.00 C ATOM 293 CE1 PHE A 19 5.604 -6.903 5.451 1.00 1.00 C ATOM 294 CE2 PHE A 19 5.258 -7.677 7.736 1.00 1.00 C ATOM 295 CZ PHE A 19 4.894 -6.841 6.663 1.00 1.00 C ATOM 0 H PHE A 19 9.752 -11.427 5.808 1.00 1.00 H new ATOM 0 HA PHE A 19 6.938 -11.302 6.064 1.00 1.00 H new ATOM 0 HB2 PHE A 19 8.617 -9.847 7.152 1.00 1.00 H new ATOM 0 HB3 PHE A 19 8.968 -9.118 5.598 1.00 1.00 H new ATOM 0 HD1 PHE A 19 7.218 -7.854 4.381 1.00 1.00 H new ATOM 0 HD2 PHE A 19 6.617 -9.211 8.419 1.00 1.00 H new ATOM 0 HE1 PHE A 19 5.327 -6.262 4.628 1.00 1.00 H new ATOM 0 HE2 PHE A 19 4.711 -7.632 8.666 1.00 1.00 H new ATOM 0 HZ PHE A 19 4.069 -6.152 6.771 1.00 1.00 H new ATOM 305 N PHE A 20 8.128 -10.409 3.088 1.00 1.00 N ATOM 306 CA PHE A 20 7.708 -10.259 1.705 1.00 1.00 C ATOM 307 C PHE A 20 7.229 -11.576 1.113 1.00 1.00 C ATOM 308 O PHE A 20 6.221 -11.572 0.412 1.00 1.00 O ATOM 309 CB PHE A 20 8.844 -9.645 0.886 1.00 1.00 C ATOM 310 CG PHE A 20 9.396 -8.342 1.439 1.00 1.00 C ATOM 311 CD1 PHE A 20 8.562 -7.330 1.947 1.00 1.00 C ATOM 312 CD2 PHE A 20 10.781 -8.153 1.473 1.00 1.00 C ATOM 313 CE1 PHE A 20 9.106 -6.128 2.418 1.00 1.00 C ATOM 314 CE2 PHE A 20 11.339 -6.961 1.966 1.00 1.00 C ATOM 315 CZ PHE A 20 10.497 -5.937 2.428 1.00 1.00 C ATOM 0 H PHE A 20 9.128 -10.282 3.243 1.00 1.00 H new ATOM 0 HA PHE A 20 6.854 -9.583 1.673 1.00 1.00 H new ATOM 0 HB2 PHE A 20 9.657 -10.368 0.819 1.00 1.00 H new ATOM 0 HB3 PHE A 20 8.488 -9.471 -0.129 1.00 1.00 H new ATOM 0 HD1 PHE A 20 7.493 -7.481 1.974 1.00 1.00 H new ATOM 0 HD2 PHE A 20 11.433 -8.936 1.114 1.00 1.00 H new ATOM 0 HE1 PHE A 20 8.453 -5.345 2.775 1.00 1.00 H new ATOM 0 HE2 PHE A 20 12.411 -6.833 1.989 1.00 1.00 H new ATOM 0 HZ PHE A 20 10.916 -5.009 2.788 1.00 1.00 H new ATOM 325 N ARG A 21 7.860 -12.710 1.428 1.00 1.00 N ATOM 326 CA ARG A 21 7.385 -14.009 0.941 1.00 1.00 C ATOM 327 C ARG A 21 5.967 -14.294 1.415 1.00 1.00 C ATOM 328 O ARG A 21 5.207 -14.889 0.653 1.00 1.00 O ATOM 329 CB ARG A 21 8.308 -15.147 1.408 1.00 1.00 C ATOM 330 CG ARG A 21 9.757 -15.064 0.908 1.00 1.00 C ATOM 331 CD ARG A 21 9.909 -15.530 -0.541 1.00 1.00 C ATOM 332 NE ARG A 21 11.328 -15.535 -0.933 1.00 1.00 N ATOM 333 CZ ARG A 21 12.251 -16.494 -0.789 1.00 1.00 C ATOM 334 NH1 ARG A 21 11.955 -17.718 -0.369 1.00 1.00 N ATOM 335 NH2 ARG A 21 13.508 -16.208 -1.085 1.00 1.00 N ATOM 0 H ARG A 21 8.694 -12.756 2.013 1.00 1.00 H new ATOM 0 HA ARG A 21 7.394 -13.961 -0.148 1.00 1.00 H new ATOM 0 HB2 ARG A 21 8.317 -15.161 2.498 1.00 1.00 H new ATOM 0 HB3 ARG A 21 7.882 -16.095 1.081 1.00 1.00 H new ATOM 0 HG2 ARG A 21 10.108 -14.036 0.993 1.00 1.00 H new ATOM 0 HG3 ARG A 21 10.394 -15.673 1.550 1.00 1.00 H new ATOM 0 HD2 ARG A 21 9.491 -16.530 -0.654 1.00 1.00 H new ATOM 0 HD3 ARG A 21 9.345 -14.872 -1.202 1.00 1.00 H new ATOM 0 HE ARG A 21 11.657 -14.680 -1.381 1.00 1.00 H new ATOM 0 HH11 ARG A 21 10.991 -17.960 -0.141 1.00 1.00 H new ATOM 0 HH12 ARG A 21 12.692 -18.417 -0.274 1.00 1.00 H new ATOM 0 HH21 ARG A 21 13.755 -15.275 -1.414 1.00 1.00 H new ATOM 0 HH22 ARG A 21 14.231 -16.921 -0.984 1.00 1.00 H new ATOM 349 N LYS A 22 5.584 -13.868 2.619 1.00 1.00 N ATOM 350 CA LYS A 22 4.224 -14.070 3.098 1.00 1.00 C ATOM 351 C LYS A 22 3.232 -13.334 2.212 1.00 1.00 C ATOM 352 O LYS A 22 2.159 -13.861 1.919 1.00 1.00 O ATOM 353 CB LYS A 22 4.061 -13.586 4.542 1.00 1.00 C ATOM 354 CG LYS A 22 4.505 -14.671 5.518 1.00 1.00 C ATOM 355 CD LYS A 22 4.249 -14.185 6.945 1.00 1.00 C ATOM 356 CE LYS A 22 4.498 -15.301 7.958 1.00 1.00 C ATOM 357 NZ LYS A 22 3.912 -14.949 9.265 1.00 1.00 N ATOM 0 H LYS A 22 6.196 -13.383 3.275 1.00 1.00 H new ATOM 0 HA LYS A 22 4.024 -15.141 3.063 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.651 -12.683 4.699 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.020 -13.323 4.729 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.958 -15.595 5.330 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.563 -14.894 5.379 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.898 -13.337 7.166 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.222 -13.832 7.034 1.00 1.00 H new ATOM 0 HE2 LYS A 22 4.063 -16.233 7.596 1.00 1.00 H new ATOM 0 HE3 LYS A 22 5.569 -15.470 8.066 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.089 -15.717 9.943 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.346 -14.071 9.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 2.887 -14.810 9.160 1.00 1.00 H new ATOM 371 N LEU A 23 3.544 -12.086 1.873 1.00 1.00 N ATOM 372 CA LEU A 23 2.662 -11.219 1.108 1.00 1.00 C ATOM 373 C LEU A 23 2.693 -11.628 -0.359 1.00 1.00 C ATOM 374 O LEU A 23 1.684 -11.479 -1.041 1.00 1.00 O ATOM 375 CB LEU A 23 3.079 -9.757 1.310 1.00 1.00 C ATOM 376 CG LEU A 23 3.155 -9.325 2.789 1.00 1.00 C ATOM 377 CD1 LEU A 23 3.267 -7.805 2.932 1.00 1.00 C ATOM 378 CD2 LEU A 23 2.043 -9.899 3.683 1.00 1.00 C ATOM 0 H LEU A 23 4.428 -11.646 2.127 1.00 1.00 H new ATOM 0 HA LEU A 23 1.634 -11.320 1.457 1.00 1.00 H new ATOM 0 HB2 LEU A 23 4.053 -9.600 0.846 1.00 1.00 H new ATOM 0 HB3 LEU A 23 2.370 -9.113 0.790 1.00 1.00 H new ATOM 0 HG LEU A 23 4.076 -9.772 3.163 1.00 1.00 H new ATOM 0 HD11 LEU A 23 3.318 -7.542 3.988 1.00 1.00 H new ATOM 0 HD12 LEU A 23 4.169 -7.458 2.427 1.00 1.00 H new ATOM 0 HD13 LEU A 23 2.394 -7.332 2.482 1.00 1.00 H new ATOM 0 HD21 LEU A 23 2.177 -9.542 4.704 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.072 -9.574 3.309 1.00 1.00 H new ATOM 0 HD23 LEU A 23 2.091 -10.988 3.670 1.00 1.00 H new ATOM 390 N SER A 24 3.796 -12.253 -0.788 1.00 1.00 N ATOM 391 CA SER A 24 3.914 -12.949 -2.041 1.00 1.00 C ATOM 392 C SER A 24 3.587 -12.068 -3.264 1.00 1.00 C ATOM 393 O SER A 24 3.544 -10.831 -3.227 1.00 1.00 O ATOM 394 CB SER A 24 3.029 -14.213 -1.940 1.00 1.00 C ATOM 395 OG SER A 24 3.380 -15.223 -2.871 1.00 1.00 O ATOM 0 H SER A 24 4.655 -12.279 -0.238 1.00 1.00 H new ATOM 0 HA SER A 24 4.952 -13.234 -2.213 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.102 -14.619 -0.931 1.00 1.00 H new ATOM 0 HB3 SER A 24 1.988 -13.932 -2.096 1.00 1.00 H new ATOM 0 HG SER A 24 2.787 -15.994 -2.756 1.00 1.00 H new ATOM 401 N ARG A 25 3.448 -12.758 -4.394 1.00 1.00 N ATOM 402 CA ARG A 25 2.911 -12.262 -5.649 1.00 1.00 C ATOM 403 C ARG A 25 1.385 -12.261 -5.522 1.00 1.00 C ATOM 404 O ARG A 25 0.852 -12.575 -4.463 1.00 1.00 O ATOM 405 CB ARG A 25 3.397 -13.175 -6.787 1.00 1.00 C ATOM 406 CG ARG A 25 4.932 -13.316 -6.848 1.00 1.00 C ATOM 407 CD ARG A 25 5.615 -12.443 -7.902 1.00 1.00 C ATOM 408 NE ARG A 25 5.430 -11.000 -7.672 1.00 1.00 N ATOM 409 CZ ARG A 25 4.952 -10.118 -8.562 1.00 1.00 C ATOM 410 NH1 ARG A 25 4.502 -10.518 -9.749 1.00 1.00 N ATOM 411 NH2 ARG A 25 4.917 -8.826 -8.263 1.00 1.00 N ATOM 0 H ARG A 25 3.726 -13.737 -4.456 1.00 1.00 H new ATOM 0 HA ARG A 25 3.248 -11.250 -5.873 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.954 -14.163 -6.664 1.00 1.00 H new ATOM 0 HB3 ARG A 25 3.038 -12.780 -7.738 1.00 1.00 H new ATOM 0 HG2 ARG A 25 5.345 -13.070 -5.870 1.00 1.00 H new ATOM 0 HG3 ARG A 25 5.179 -14.359 -7.045 1.00 1.00 H new ATOM 0 HD2 ARG A 25 6.681 -12.668 -7.915 1.00 1.00 H new ATOM 0 HD3 ARG A 25 5.223 -12.700 -8.886 1.00 1.00 H new ATOM 0 HE ARG A 25 5.689 -10.639 -6.754 1.00 1.00 H new ATOM 0 HH11 ARG A 25 4.517 -11.508 -9.993 1.00 1.00 H new ATOM 0 HH12 ARG A 25 4.142 -9.834 -10.415 1.00 1.00 H new ATOM 0 HH21 ARG A 25 5.254 -8.503 -7.356 1.00 1.00 H new ATOM 0 HH22 ARG A 25 4.553 -8.155 -8.940 1.00 1.00 H new ATOM 425 N GLU A 26 0.682 -11.861 -6.577 1.00 1.00 N ATOM 426 CA GLU A 26 -0.759 -11.618 -6.614 1.00 1.00 C ATOM 427 C GLU A 26 -1.583 -12.726 -5.957 1.00 1.00 C ATOM 428 O GLU A 26 -1.770 -13.799 -6.531 1.00 1.00 O ATOM 429 CB GLU A 26 -1.199 -11.248 -8.034 1.00 1.00 C ATOM 430 CG GLU A 26 -0.748 -12.175 -9.185 1.00 1.00 C ATOM 431 CD GLU A 26 -0.372 -11.370 -10.434 1.00 1.00 C ATOM 432 OE1 GLU A 26 -1.080 -10.384 -10.761 1.00 1.00 O ATOM 433 OE2 GLU A 26 0.655 -11.672 -11.092 1.00 1.00 O ATOM 0 H GLU A 26 1.125 -11.688 -7.479 1.00 1.00 H new ATOM 0 HA GLU A 26 -0.972 -10.753 -5.985 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -2.288 -11.201 -8.047 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -0.834 -10.244 -8.248 1.00 1.00 H new ATOM 0 HG2 GLU A 26 0.107 -12.770 -8.862 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -1.549 -12.873 -9.427 1.00 1.00 H new ATOM 440 N CYS A 27 -2.069 -12.440 -4.746 1.00 1.00 N ATOM 441 CA CYS A 27 -2.945 -13.276 -3.932 1.00 1.00 C ATOM 442 C CYS A 27 -4.022 -12.387 -3.284 1.00 1.00 C ATOM 443 O CYS A 27 -4.127 -11.202 -3.591 1.00 1.00 O ATOM 444 CB CYS A 27 -2.133 -14.027 -2.864 1.00 1.00 C ATOM 445 SG CYS A 27 -0.839 -15.058 -3.597 1.00 1.00 S ATOM 0 H CYS A 27 -1.844 -11.560 -4.281 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.429 -14.023 -4.561 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -1.680 -13.308 -2.181 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -2.802 -14.651 -2.272 1.00 1.00 H new ATOM 0 HG CYS A 27 0.093 -14.298 -4.091 1.00 1.00 H new ATOM 451 N GLU A 28 -4.860 -12.954 -2.421 1.00 1.00 N ATOM 452 CA GLU A 28 -5.999 -12.262 -1.819 1.00 1.00 C ATOM 453 C GLU A 28 -5.596 -11.380 -0.618 1.00 1.00 C ATOM 454 O GLU A 28 -4.750 -11.761 0.203 1.00 1.00 O ATOM 455 CB GLU A 28 -7.005 -13.335 -1.381 1.00 1.00 C ATOM 456 CG GLU A 28 -8.431 -12.793 -1.200 1.00 1.00 C ATOM 457 CD GLU A 28 -9.258 -12.942 -2.478 1.00 1.00 C ATOM 458 OE1 GLU A 28 -8.888 -12.408 -3.544 1.00 1.00 O ATOM 459 OE2 GLU A 28 -10.281 -13.667 -2.431 1.00 1.00 O ATOM 0 H GLU A 28 -4.767 -13.922 -2.114 1.00 1.00 H new ATOM 0 HA GLU A 28 -6.433 -11.584 -2.554 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -7.019 -14.134 -2.122 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -6.670 -13.776 -0.442 1.00 1.00 H new ATOM 0 HG2 GLU A 28 -8.922 -13.324 -0.385 1.00 1.00 H new ATOM 0 HG3 GLU A 28 -8.388 -11.742 -0.915 1.00 1.00 H new ATOM 466 N ILE A 29 -6.276 -10.243 -0.446 1.00 1.00 N ATOM 467 CA ILE A 29 -6.091 -9.231 0.594 1.00 1.00 C ATOM 468 C ILE A 29 -7.425 -8.792 1.191 1.00 1.00 C ATOM 469 O ILE A 29 -8.484 -8.987 0.595 1.00 1.00 O ATOM 470 CB ILE A 29 -5.330 -7.999 0.051 1.00 1.00 C ATOM 471 CG1 ILE A 29 -6.077 -7.382 -1.143 1.00 1.00 C ATOM 472 CG2 ILE A 29 -3.885 -8.382 -0.288 1.00 1.00 C ATOM 473 CD1 ILE A 29 -5.569 -6.006 -1.566 1.00 1.00 C ATOM 0 H ILE A 29 -7.031 -9.987 -1.083 1.00 1.00 H new ATOM 0 HA ILE A 29 -5.494 -9.692 1.381 1.00 1.00 H new ATOM 0 HB ILE A 29 -5.288 -7.230 0.822 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -6.001 -8.060 -1.993 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -7.135 -7.303 -0.892 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -3.357 -7.508 -0.670 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -3.385 -8.745 0.610 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -3.884 -9.166 -1.046 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -6.153 -5.648 -2.414 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -5.671 -5.309 -0.734 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -4.520 -6.078 -1.852 1.00 1.00 H new ATOM 485 N LYS A 30 -7.355 -8.150 2.361 1.00 1.00 N ATOM 486 CA LYS A 30 -8.514 -7.483 2.975 1.00 1.00 C ATOM 487 C LYS A 30 -8.104 -6.197 3.649 1.00 1.00 C ATOM 488 O LYS A 30 -7.052 -6.155 4.272 1.00 1.00 O ATOM 489 CB LYS A 30 -9.209 -8.393 4.007 1.00 1.00 C ATOM 490 CG LYS A 30 -10.483 -8.962 3.383 1.00 1.00 C ATOM 491 CD LYS A 30 -11.215 -10.002 4.228 1.00 1.00 C ATOM 492 CE LYS A 30 -11.704 -9.433 5.559 1.00 1.00 C ATOM 493 NZ LYS A 30 -12.588 -10.395 6.240 1.00 1.00 N ATOM 0 H LYS A 30 -6.498 -8.076 2.910 1.00 1.00 H new ATOM 0 HA LYS A 30 -9.215 -7.263 2.170 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.542 -9.201 4.307 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -9.450 -7.828 4.907 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -11.167 -8.138 3.178 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -10.228 -9.412 2.423 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -12.066 -10.388 3.667 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -10.550 -10.844 4.419 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -10.851 -9.200 6.197 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -12.238 -8.499 5.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -12.911 -9.991 7.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -13.411 -10.597 5.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -12.067 -11.277 6.422 1.00 1.00 H new ATOM 507 N TYR A 31 -8.935 -5.160 3.606 1.00 1.00 N ATOM 508 CA TYR A 31 -8.695 -3.977 4.422 1.00 1.00 C ATOM 509 C TYR A 31 -8.843 -4.350 5.894 1.00 1.00 C ATOM 510 O TYR A 31 -9.688 -5.187 6.225 1.00 1.00 O ATOM 511 CB TYR A 31 -9.711 -2.903 4.045 1.00 1.00 C ATOM 512 CG TYR A 31 -9.143 -1.507 4.025 1.00 1.00 C ATOM 513 CD1 TYR A 31 -8.829 -0.823 5.213 1.00 1.00 C ATOM 514 CD2 TYR A 31 -8.916 -0.894 2.787 1.00 1.00 C ATOM 515 CE1 TYR A 31 -8.347 0.494 5.166 1.00 1.00 C ATOM 516 CE2 TYR A 31 -8.468 0.433 2.736 1.00 1.00 C ATOM 517 CZ TYR A 31 -8.232 1.150 3.922 1.00 1.00 C ATOM 518 OH TYR A 31 -7.941 2.472 3.833 1.00 1.00 O ATOM 0 H TYR A 31 -9.770 -5.115 3.022 1.00 1.00 H new ATOM 0 HA TYR A 31 -7.689 -3.595 4.251 1.00 1.00 H new ATOM 0 HB2 TYR A 31 -10.120 -3.133 3.061 1.00 1.00 H new ATOM 0 HB3 TYR A 31 -10.541 -2.937 4.751 1.00 1.00 H new ATOM 0 HD1 TYR A 31 -8.959 -1.314 6.166 1.00 1.00 H new ATOM 0 HD2 TYR A 31 -9.086 -1.443 1.873 1.00 1.00 H new ATOM 0 HE1 TYR A 31 -8.066 1.002 6.076 1.00 1.00 H new ATOM 0 HE2 TYR A 31 -8.303 0.908 1.780 1.00 1.00 H new ATOM 0 HH TYR A 31 -7.936 2.743 2.891 1.00 1.00 H new ATOM 528 N THR A 32 -8.124 -3.683 6.795 1.00 1.00 N ATOM 529 CA THR A 32 -8.349 -3.794 8.227 1.00 1.00 C ATOM 530 C THR A 32 -8.191 -2.381 8.801 1.00 1.00 C ATOM 531 O THR A 32 -7.122 -1.987 9.241 1.00 1.00 O ATOM 532 CB THR A 32 -7.468 -4.930 8.801 1.00 1.00 C ATOM 533 OG1 THR A 32 -7.818 -5.283 10.129 1.00 1.00 O ATOM 534 CG2 THR A 32 -5.953 -4.730 8.716 1.00 1.00 C ATOM 0 H THR A 32 -7.366 -3.048 6.546 1.00 1.00 H new ATOM 0 HA THR A 32 -9.350 -4.114 8.517 1.00 1.00 H new ATOM 0 HB THR A 32 -7.700 -5.750 8.121 1.00 1.00 H new ATOM 0 HG1 THR A 32 -7.233 -6.004 10.441 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.447 -5.592 9.150 1.00 1.00 H new ATOM 0 HG22 THR A 32 -5.658 -4.624 7.672 1.00 1.00 H new ATOM 0 HG23 THR A 32 -5.673 -3.831 9.265 1.00 1.00 H new ATOM 542 N GLY A 33 -9.267 -1.596 8.744 1.00 1.00 N ATOM 543 CA GLY A 33 -9.316 -0.200 9.155 1.00 1.00 C ATOM 544 C GLY A 33 -10.773 0.186 9.379 1.00 1.00 C ATOM 545 O GLY A 33 -11.547 -0.651 9.856 1.00 1.00 O ATOM 0 H GLY A 33 -10.164 -1.933 8.395 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -8.740 -0.054 10.069 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -8.869 0.436 8.391 1.00 1.00 H new ATOM 549 N PHE A 34 -11.167 1.401 8.979 1.00 1.00 N ATOM 550 CA PHE A 34 -12.473 1.995 9.260 1.00 1.00 C ATOM 551 C PHE A 34 -13.655 1.106 8.835 1.00 1.00 C ATOM 552 O PHE A 34 -14.730 1.220 9.431 1.00 1.00 O ATOM 553 CB PHE A 34 -12.553 3.394 8.599 1.00 1.00 C ATOM 554 CG PHE A 34 -13.906 3.715 7.989 1.00 1.00 C ATOM 555 CD1 PHE A 34 -14.239 3.137 6.750 1.00 1.00 C ATOM 556 CD2 PHE A 34 -14.872 4.452 8.700 1.00 1.00 C ATOM 557 CE1 PHE A 34 -15.551 3.220 6.262 1.00 1.00 C ATOM 558 CE2 PHE A 34 -16.176 4.574 8.185 1.00 1.00 C ATOM 559 CZ PHE A 34 -16.528 3.933 6.983 1.00 1.00 C ATOM 0 H PHE A 34 -10.563 2.015 8.433 1.00 1.00 H new ATOM 0 HA PHE A 34 -12.562 2.093 10.342 1.00 1.00 H new ATOM 0 HB2 PHE A 34 -12.314 4.151 9.346 1.00 1.00 H new ATOM 0 HB3 PHE A 34 -11.791 3.461 7.822 1.00 1.00 H new ATOM 0 HD1 PHE A 34 -13.481 2.628 6.173 1.00 1.00 H new ATOM 0 HD2 PHE A 34 -14.613 4.922 9.637 1.00 1.00 H new ATOM 0 HE1 PHE A 34 -15.812 2.737 5.332 1.00 1.00 H new ATOM 0 HE2 PHE A 34 -16.910 5.163 8.715 1.00 1.00 H new ATOM 0 HZ PHE A 34 -17.542 3.988 6.615 1.00 1.00 H new ATOM 569 N ARG A 35 -13.496 0.212 7.847 1.00 1.00 N ATOM 570 CA ARG A 35 -14.564 -0.714 7.448 1.00 1.00 C ATOM 571 C ARG A 35 -15.059 -1.597 8.592 1.00 1.00 C ATOM 572 O ARG A 35 -16.058 -2.284 8.404 1.00 1.00 O ATOM 573 CB ARG A 35 -14.170 -1.544 6.212 1.00 1.00 C ATOM 574 CG ARG A 35 -13.089 -2.625 6.410 1.00 1.00 C ATOM 575 CD ARG A 35 -13.604 -3.977 6.939 1.00 1.00 C ATOM 576 NE ARG A 35 -12.505 -4.951 7.060 1.00 1.00 N ATOM 577 CZ ARG A 35 -12.366 -5.901 7.994 1.00 1.00 C ATOM 578 NH1 ARG A 35 -13.323 -6.171 8.874 1.00 1.00 N ATOM 579 NH2 ARG A 35 -11.231 -6.587 8.031 1.00 1.00 N ATOM 0 H ARG A 35 -12.635 0.112 7.309 1.00 1.00 H new ATOM 0 HA ARG A 35 -15.411 -0.088 7.168 1.00 1.00 H new ATOM 0 HB2 ARG A 35 -15.068 -2.029 5.830 1.00 1.00 H new ATOM 0 HB3 ARG A 35 -13.825 -0.857 5.439 1.00 1.00 H new ATOM 0 HG2 ARG A 35 -12.587 -2.793 5.457 1.00 1.00 H new ATOM 0 HG3 ARG A 35 -12.339 -2.244 7.103 1.00 1.00 H new ATOM 0 HD2 ARG A 35 -14.077 -3.835 7.911 1.00 1.00 H new ATOM 0 HD3 ARG A 35 -14.368 -4.367 6.267 1.00 1.00 H new ATOM 0 HE ARG A 35 -11.770 -4.896 6.355 1.00 1.00 H new ATOM 0 HH11 ARG A 35 -14.198 -5.648 8.852 1.00 1.00 H new ATOM 0 HH12 ARG A 35 -13.183 -6.902 9.572 1.00 1.00 H new ATOM 0 HH21 ARG A 35 -10.491 -6.385 7.359 1.00 1.00 H new ATOM 0 HH22 ARG A 35 -11.098 -7.316 8.732 1.00 1.00 H new ATOM 593 N ASP A 36 -14.387 -1.601 9.745 1.00 1.00 N ATOM 594 CA ASP A 36 -14.887 -2.195 10.978 1.00 1.00 C ATOM 595 C ASP A 36 -16.239 -1.626 11.439 1.00 1.00 C ATOM 596 O ASP A 36 -16.879 -2.277 12.263 1.00 1.00 O ATOM 597 CB ASP A 36 -13.849 -2.118 12.108 1.00 1.00 C ATOM 598 CG ASP A 36 -14.046 -0.922 13.039 1.00 1.00 C ATOM 599 OD1 ASP A 36 -13.974 0.232 12.567 1.00 1.00 O ATOM 600 OD2 ASP A 36 -14.183 -1.140 14.265 1.00 1.00 O ATOM 0 H ASP A 36 -13.462 -1.182 9.846 1.00 1.00 H new ATOM 0 HA ASP A 36 -15.064 -3.244 10.738 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -13.894 -3.036 12.694 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -12.852 -2.067 11.671 1.00 1.00 H new ATOM 605 N ARG A 37 -16.718 -0.495 10.896 1.00 1.00 N ATOM 606 CA ARG A 37 -18.128 -0.117 10.951 1.00 1.00 C ATOM 607 C ARG A 37 -19.084 -1.252 10.563 1.00 1.00 C ATOM 608 O ARG A 37 -18.683 -2.195 9.869 1.00 1.00 O ATOM 609 CB ARG A 37 -18.352 1.051 9.976 1.00 1.00 C ATOM 610 CG ARG A 37 -17.864 2.368 10.568 1.00 1.00 C ATOM 611 CD ARG A 37 -18.856 3.487 10.281 1.00 1.00 C ATOM 612 NE ARG A 37 -18.381 4.698 10.941 1.00 1.00 N ATOM 613 CZ ARG A 37 -19.115 5.759 11.290 1.00 1.00 C ATOM 614 NH1 ARG A 37 -20.414 5.805 11.031 1.00 1.00 N ATOM 615 NH2 ARG A 37 -18.546 6.779 11.908 1.00 1.00 N ATOM 0 H ARG A 37 -16.131 0.181 10.406 1.00 1.00 H new ATOM 0 HA ARG A 37 -18.347 0.150 11.985 1.00 1.00 H new ATOM 0 HB2 ARG A 37 -17.827 0.853 9.042 1.00 1.00 H new ATOM 0 HB3 ARG A 37 -19.412 1.129 9.736 1.00 1.00 H new ATOM 0 HG2 ARG A 37 -17.730 2.261 11.644 1.00 1.00 H new ATOM 0 HG3 ARG A 37 -16.890 2.622 10.149 1.00 1.00 H new ATOM 0 HD2 ARG A 37 -18.945 3.650 9.207 1.00 1.00 H new ATOM 0 HD3 ARG A 37 -19.847 3.219 10.646 1.00 1.00 H new ATOM 0 HE ARG A 37 -17.385 4.739 11.159 1.00 1.00 H new ATOM 0 HH11 ARG A 37 -20.868 5.023 10.559 1.00 1.00 H new ATOM 0 HH12 ARG A 37 -20.960 6.622 11.304 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -17.548 6.756 12.118 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -19.105 7.590 12.175 1.00 1.00 H new ATOM 629 N PRO A 38 -20.386 -1.102 10.866 1.00 1.00 N ATOM 630 CA PRO A 38 -21.427 -1.834 10.167 1.00 1.00 C ATOM 631 C PRO A 38 -21.245 -1.679 8.656 1.00 1.00 C ATOM 632 O PRO A 38 -20.695 -0.684 8.169 1.00 1.00 O ATOM 633 CB PRO A 38 -22.761 -1.235 10.626 1.00 1.00 C ATOM 634 CG PRO A 38 -22.419 -0.502 11.920 1.00 1.00 C ATOM 635 CD PRO A 38 -20.973 -0.078 11.712 1.00 1.00 C ATOM 0 HA PRO A 38 -21.390 -2.901 10.388 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -23.169 -0.554 9.879 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -23.509 -2.010 10.793 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -23.071 0.357 12.080 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -22.527 -1.150 12.790 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -20.916 0.902 11.239 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -20.445 -0.004 12.663 1.00 1.00 H new ATOM 643 N HIS A 39 -21.700 -2.664 7.894 1.00 1.00 N ATOM 644 CA HIS A 39 -21.655 -2.565 6.451 1.00 1.00 C ATOM 645 C HIS A 39 -22.747 -1.619 5.951 1.00 1.00 C ATOM 646 O HIS A 39 -23.730 -1.362 6.651 1.00 1.00 O ATOM 647 CB HIS A 39 -21.696 -3.962 5.808 1.00 1.00 C ATOM 648 CG HIS A 39 -20.461 -4.212 4.981 1.00 1.00 C ATOM 649 ND1 HIS A 39 -19.160 -3.963 5.372 1.00 1.00 N ATOM 650 CD2 HIS A 39 -20.438 -4.606 3.673 1.00 1.00 C ATOM 651 CE1 HIS A 39 -18.365 -4.172 4.313 1.00 1.00 C ATOM 652 NE2 HIS A 39 -19.104 -4.553 3.255 1.00 1.00 N ATOM 0 H HIS A 39 -22.100 -3.531 8.252 1.00 1.00 H new ATOM 0 HA HIS A 39 -20.707 -2.126 6.141 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -21.778 -4.722 6.585 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -22.583 -4.052 5.180 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -18.858 -3.672 6.302 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -21.288 -4.902 3.076 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -17.292 -4.052 4.310 1.00 1.00 H new ATOM 660 N GLU A 40 -22.522 -1.116 4.734 1.00 1.00 N ATOM 661 CA GLU A 40 -23.320 -0.289 3.828 1.00 1.00 C ATOM 662 C GLU A 40 -22.560 1.024 3.597 1.00 1.00 C ATOM 663 O GLU A 40 -22.221 1.365 2.466 1.00 1.00 O ATOM 664 CB GLU A 40 -24.777 -0.093 4.276 1.00 1.00 C ATOM 665 CG GLU A 40 -25.645 0.489 3.153 1.00 1.00 C ATOM 666 CD GLU A 40 -27.137 0.482 3.494 1.00 1.00 C ATOM 667 OE1 GLU A 40 -27.528 0.562 4.683 1.00 1.00 O ATOM 668 OE2 GLU A 40 -27.961 0.302 2.568 1.00 1.00 O ATOM 0 H GLU A 40 -21.624 -1.316 4.293 1.00 1.00 H new ATOM 0 HA GLU A 40 -23.436 -0.811 2.878 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -25.190 -1.049 4.596 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -24.806 0.572 5.139 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -25.328 1.512 2.948 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -25.483 -0.084 2.240 1.00 1.00 H new ATOM 675 N GLU A 41 -22.134 1.686 4.670 1.00 1.00 N ATOM 676 CA GLU A 41 -21.722 3.099 4.717 1.00 1.00 C ATOM 677 C GLU A 41 -20.256 3.303 4.308 1.00 1.00 C ATOM 678 O GLU A 41 -19.680 4.382 4.412 1.00 1.00 O ATOM 679 CB GLU A 41 -21.917 3.540 6.169 1.00 1.00 C ATOM 680 CG GLU A 41 -21.985 5.052 6.408 1.00 1.00 C ATOM 681 CD GLU A 41 -22.083 5.331 7.904 1.00 1.00 C ATOM 682 OE1 GLU A 41 -21.261 4.769 8.666 1.00 1.00 O ATOM 683 OE2 GLU A 41 -22.926 6.156 8.323 1.00 1.00 O ATOM 0 H GLU A 41 -22.061 1.233 5.581 1.00 1.00 H new ATOM 0 HA GLU A 41 -22.315 3.682 4.012 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -22.837 3.091 6.544 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -21.099 3.134 6.764 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -21.100 5.536 5.995 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -22.848 5.473 5.892 1.00 1.00 H new ATOM 690 N ARG A 42 -19.604 2.224 3.903 1.00 1.00 N ATOM 691 CA ARG A 42 -18.157 2.068 3.883 1.00 1.00 C ATOM 692 C ARG A 42 -17.448 2.332 2.561 1.00 1.00 C ATOM 693 O ARG A 42 -16.286 2.726 2.548 1.00 1.00 O ATOM 694 CB ARG A 42 -17.846 0.687 4.494 1.00 1.00 C ATOM 695 CG ARG A 42 -17.960 -0.501 3.516 1.00 1.00 C ATOM 696 CD ARG A 42 -19.422 -0.784 3.158 1.00 1.00 C ATOM 697 NE ARG A 42 -19.576 -1.857 2.175 1.00 1.00 N ATOM 698 CZ ARG A 42 -20.568 -1.977 1.284 1.00 1.00 C ATOM 699 NH1 ARG A 42 -21.485 -1.029 1.118 1.00 1.00 N ATOM 700 NH2 ARG A 42 -20.663 -3.084 0.574 1.00 1.00 N ATOM 0 H ARG A 42 -20.091 1.395 3.564 1.00 1.00 H new ATOM 0 HA ARG A 42 -17.730 2.872 4.482 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -16.835 0.706 4.902 1.00 1.00 H new ATOM 0 HB3 ARG A 42 -18.524 0.516 5.330 1.00 1.00 H new ATOM 0 HG2 ARG A 42 -17.396 -0.284 2.609 1.00 1.00 H new ATOM 0 HG3 ARG A 42 -17.514 -1.389 3.964 1.00 1.00 H new ATOM 0 HD2 ARG A 42 -19.967 -1.049 4.064 1.00 1.00 H new ATOM 0 HD3 ARG A 42 -19.877 0.126 2.767 1.00 1.00 H new ATOM 0 HE ARG A 42 -18.859 -2.583 2.168 1.00 1.00 H new ATOM 0 HH11 ARG A 42 -21.446 -0.178 1.679 1.00 1.00 H new ATOM 0 HH12 ARG A 42 -22.228 -1.153 0.430 1.00 1.00 H new ATOM 0 HH21 ARG A 42 -19.986 -3.835 0.707 1.00 1.00 H new ATOM 0 HH22 ARG A 42 -21.414 -3.189 -0.108 1.00 1.00 H new ATOM 714 N GLN A 43 -18.130 2.058 1.459 1.00 1.00 N ATOM 715 CA GLN A 43 -17.583 1.905 0.123 1.00 1.00 C ATOM 716 C GLN A 43 -16.792 3.131 -0.331 1.00 1.00 C ATOM 717 O GLN A 43 -15.716 3.011 -0.905 1.00 1.00 O ATOM 718 CB GLN A 43 -18.771 1.646 -0.823 1.00 1.00 C ATOM 719 CG GLN A 43 -18.461 0.582 -1.880 1.00 1.00 C ATOM 720 CD GLN A 43 -19.701 -0.035 -2.526 1.00 1.00 C ATOM 721 OE1 GLN A 43 -20.657 -0.392 -1.845 1.00 1.00 O ATOM 722 NE2 GLN A 43 -19.734 -0.194 -3.837 1.00 1.00 N ATOM 0 H GLN A 43 -19.142 1.929 1.477 1.00 1.00 H new ATOM 0 HA GLN A 43 -16.876 1.075 0.113 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -19.635 1.331 -0.238 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -19.045 2.577 -1.319 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -17.843 1.028 -2.659 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -17.871 -0.211 -1.420 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -18.941 0.102 -4.407 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -20.552 -0.612 -4.280 1.00 1.00 H new ATOM 731 N THR A 44 -17.347 4.315 -0.133 1.00 1.00 N ATOM 732 CA THR A 44 -16.760 5.585 -0.576 1.00 1.00 C ATOM 733 C THR A 44 -15.791 6.126 0.464 1.00 1.00 C ATOM 734 O THR A 44 -14.715 6.612 0.098 1.00 1.00 O ATOM 735 CB THR A 44 -17.926 6.533 -0.863 1.00 1.00 C ATOM 736 OG1 THR A 44 -18.522 6.033 -2.050 1.00 1.00 O ATOM 737 CG2 THR A 44 -17.570 8.010 -1.051 1.00 1.00 C ATOM 0 H THR A 44 -18.238 4.431 0.350 1.00 1.00 H new ATOM 0 HA THR A 44 -16.165 5.460 -1.481 1.00 1.00 H new ATOM 0 HB THR A 44 -18.577 6.541 0.011 1.00 1.00 H new ATOM 0 HG1 THR A 44 -19.285 6.596 -2.295 1.00 1.00 H new ATOM 0 HG21 THR A 44 -18.477 8.581 -1.248 1.00 1.00 H new ATOM 0 HG22 THR A 44 -17.093 8.387 -0.146 1.00 1.00 H new ATOM 0 HG23 THR A 44 -16.885 8.115 -1.893 1.00 1.00 H new ATOM 745 N ARG A 45 -16.090 5.970 1.757 1.00 1.00 N ATOM 746 CA ARG A 45 -15.119 6.314 2.774 1.00 1.00 C ATOM 747 C ARG A 45 -13.841 5.560 2.562 1.00 1.00 C ATOM 748 O ARG A 45 -12.793 6.121 2.804 1.00 1.00 O ATOM 749 CB ARG A 45 -15.658 6.006 4.165 1.00 1.00 C ATOM 750 CG ARG A 45 -14.584 6.216 5.249 1.00 1.00 C ATOM 751 CD ARG A 45 -14.143 7.659 5.487 1.00 1.00 C ATOM 752 NE ARG A 45 -15.181 8.368 6.244 1.00 1.00 N ATOM 753 CZ ARG A 45 -15.030 9.002 7.407 1.00 1.00 C ATOM 754 NH1 ARG A 45 -13.831 9.297 7.905 1.00 1.00 N ATOM 755 NH2 ARG A 45 -16.130 9.326 8.069 1.00 1.00 N ATOM 0 H ARG A 45 -16.979 5.615 2.109 1.00 1.00 H new ATOM 0 HA ARG A 45 -14.924 7.384 2.696 1.00 1.00 H new ATOM 0 HB2 ARG A 45 -16.516 6.646 4.373 1.00 1.00 H new ATOM 0 HB3 ARG A 45 -16.013 4.976 4.198 1.00 1.00 H new ATOM 0 HG2 ARG A 45 -14.962 5.813 6.189 1.00 1.00 H new ATOM 0 HG3 ARG A 45 -13.706 5.629 4.980 1.00 1.00 H new ATOM 0 HD2 ARG A 45 -13.201 7.677 6.035 1.00 1.00 H new ATOM 0 HD3 ARG A 45 -13.967 8.159 4.534 1.00 1.00 H new ATOM 0 HE ARG A 45 -16.117 8.377 5.838 1.00 1.00 H new ATOM 0 HH11 ARG A 45 -12.988 9.037 7.393 1.00 1.00 H new ATOM 0 HH12 ARG A 45 -13.755 9.783 8.798 1.00 1.00 H new ATOM 0 HH21 ARG A 45 -17.045 9.090 7.685 1.00 1.00 H new ATOM 0 HH22 ARG A 45 -16.063 9.812 8.963 1.00 1.00 H new ATOM 769 N PHE A 46 -13.910 4.318 2.125 1.00 1.00 N ATOM 770 CA PHE A 46 -12.748 3.491 1.907 1.00 1.00 C ATOM 771 C PHE A 46 -11.759 4.233 1.003 1.00 1.00 C ATOM 772 O PHE A 46 -10.619 4.449 1.403 1.00 1.00 O ATOM 773 CB PHE A 46 -13.224 2.146 1.363 1.00 1.00 C ATOM 774 CG PHE A 46 -12.295 1.539 0.351 1.00 1.00 C ATOM 775 CD1 PHE A 46 -11.138 0.884 0.793 1.00 1.00 C ATOM 776 CD2 PHE A 46 -12.577 1.649 -1.024 1.00 1.00 C ATOM 777 CE1 PHE A 46 -10.261 0.331 -0.147 1.00 1.00 C ATOM 778 CE2 PHE A 46 -11.732 1.038 -1.953 1.00 1.00 C ATOM 779 CZ PHE A 46 -10.563 0.403 -1.508 1.00 1.00 C ATOM 0 H PHE A 46 -14.791 3.851 1.909 1.00 1.00 H new ATOM 0 HA PHE A 46 -12.202 3.286 2.828 1.00 1.00 H new ATOM 0 HB2 PHE A 46 -13.346 1.451 2.194 1.00 1.00 H new ATOM 0 HB3 PHE A 46 -14.207 2.275 0.909 1.00 1.00 H new ATOM 0 HD1 PHE A 46 -10.925 0.807 1.849 1.00 1.00 H new ATOM 0 HD2 PHE A 46 -13.442 2.203 -1.358 1.00 1.00 H new ATOM 0 HE1 PHE A 46 -9.352 -0.151 0.180 1.00 1.00 H new ATOM 0 HE2 PHE A 46 -11.976 1.054 -3.005 1.00 1.00 H new ATOM 0 HZ PHE A 46 -9.888 -0.036 -2.228 1.00 1.00 H new ATOM 789 N GLN A 47 -12.208 4.700 -0.163 1.00 1.00 N ATOM 790 CA GLN A 47 -11.345 5.460 -1.076 1.00 1.00 C ATOM 791 C GLN A 47 -10.929 6.806 -0.460 1.00 1.00 C ATOM 792 O GLN A 47 -9.840 7.287 -0.772 1.00 1.00 O ATOM 793 CB GLN A 47 -12.039 5.649 -2.445 1.00 1.00 C ATOM 794 CG GLN A 47 -11.800 4.487 -3.445 1.00 1.00 C ATOM 795 CD GLN A 47 -13.094 3.840 -3.952 1.00 1.00 C ATOM 796 OE1 GLN A 47 -14.111 3.740 -3.273 1.00 1.00 O ATOM 797 NE2 GLN A 47 -13.094 3.311 -5.163 1.00 1.00 N ATOM 0 H GLN A 47 -13.162 4.567 -0.499 1.00 1.00 H new ATOM 0 HA GLN A 47 -10.432 4.888 -1.240 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -13.111 5.760 -2.284 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -11.686 6.578 -2.893 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -11.233 4.862 -4.297 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -11.186 3.725 -2.964 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -12.262 3.379 -5.749 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -13.926 2.834 -5.511 1.00 1.00 H new ATOM 806 N ASN A 48 -11.719 7.402 0.442 1.00 1.00 N ATOM 807 CA ASN A 48 -11.316 8.634 1.124 1.00 1.00 C ATOM 808 C ASN A 48 -10.273 8.352 2.207 1.00 1.00 C ATOM 809 O ASN A 48 -9.331 9.120 2.337 1.00 1.00 O ATOM 810 CB ASN A 48 -12.523 9.380 1.715 1.00 1.00 C ATOM 811 CG ASN A 48 -13.322 10.116 0.649 1.00 1.00 C ATOM 812 OD1 ASN A 48 -13.318 11.347 0.596 1.00 1.00 O ATOM 813 ND2 ASN A 48 -14.023 9.409 -0.221 1.00 1.00 N ATOM 0 H ASN A 48 -12.637 7.051 0.714 1.00 1.00 H new ATOM 0 HA ASN A 48 -10.862 9.281 0.373 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -13.172 8.670 2.227 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -12.177 10.092 2.464 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -14.566 9.882 -0.943 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -14.021 8.390 -0.170 1.00 1.00 H new ATOM 820 N ALA A 49 -10.380 7.250 2.948 1.00 1.00 N ATOM 821 CA ALA A 49 -9.444 6.804 3.972 1.00 1.00 C ATOM 822 C ALA A 49 -8.113 6.428 3.331 1.00 1.00 C ATOM 823 O ALA A 49 -7.052 6.708 3.887 1.00 1.00 O ATOM 824 CB ALA A 49 -10.034 5.612 4.737 1.00 1.00 C ATOM 0 H ALA A 49 -11.167 6.610 2.842 1.00 1.00 H new ATOM 0 HA ALA A 49 -9.270 7.616 4.679 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -9.328 5.284 5.501 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -10.969 5.911 5.211 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -10.224 4.793 4.044 1.00 1.00 H new ATOM 830 N CYS A 50 -8.170 5.854 2.131 1.00 1.00 N ATOM 831 CA CYS A 50 -6.999 5.657 1.280 1.00 1.00 C ATOM 832 C CYS A 50 -6.308 6.985 0.950 1.00 1.00 C ATOM 833 O CYS A 50 -5.098 7.012 0.761 1.00 1.00 O ATOM 834 CB CYS A 50 -7.436 4.919 -0.011 1.00 1.00 C ATOM 835 SG CYS A 50 -7.976 3.226 0.320 1.00 1.00 S ATOM 0 H CYS A 50 -9.037 5.510 1.719 1.00 1.00 H new ATOM 0 HA CYS A 50 -6.269 5.051 1.817 1.00 1.00 H new ATOM 0 HB2 CYS A 50 -8.247 5.471 -0.486 1.00 1.00 H new ATOM 0 HB3 CYS A 50 -6.606 4.902 -0.717 1.00 1.00 H new ATOM 0 HG CYS A 50 -9.167 3.244 0.840 1.00 1.00 H new ATOM 841 N ARG A 51 -7.047 8.092 0.880 1.00 1.00 N ATOM 842 CA ARG A 51 -6.530 9.405 0.507 1.00 1.00 C ATOM 843 C ARG A 51 -6.085 10.180 1.750 1.00 1.00 C ATOM 844 O ARG A 51 -5.155 10.981 1.689 1.00 1.00 O ATOM 845 CB ARG A 51 -7.638 10.099 -0.305 1.00 1.00 C ATOM 846 CG ARG A 51 -7.115 11.249 -1.161 1.00 1.00 C ATOM 847 CD ARG A 51 -8.114 11.624 -2.271 1.00 1.00 C ATOM 848 NE ARG A 51 -9.318 12.281 -1.733 1.00 1.00 N ATOM 849 CZ ARG A 51 -10.295 12.842 -2.458 1.00 1.00 C ATOM 850 NH1 ARG A 51 -10.430 12.601 -3.755 1.00 1.00 N ATOM 851 NH2 ARG A 51 -11.151 13.660 -1.863 1.00 1.00 N ATOM 0 H ARG A 51 -8.046 8.099 1.086 1.00 1.00 H new ATOM 0 HA ARG A 51 -5.634 9.339 -0.110 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -8.124 9.365 -0.948 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -8.399 10.478 0.378 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -6.927 12.118 -0.530 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -6.161 10.967 -1.608 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -7.628 12.288 -2.986 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -8.404 10.726 -2.816 1.00 1.00 H new ATOM 0 HE ARG A 51 -9.416 12.311 -0.718 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -9.780 11.973 -4.227 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -11.184 13.043 -4.280 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -11.061 13.855 -0.866 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -11.900 14.095 -2.402 1.00 1.00 H new ATOM 865 N ASP A 52 -6.690 9.868 2.896 1.00 1.00 N ATOM 866 CA ASP A 52 -6.397 10.359 4.243 1.00 1.00 C ATOM 867 C ASP A 52 -4.935 10.132 4.595 1.00 1.00 C ATOM 868 O ASP A 52 -4.352 10.888 5.368 1.00 1.00 O ATOM 869 CB ASP A 52 -7.278 9.591 5.229 1.00 1.00 C ATOM 870 CG ASP A 52 -7.718 10.372 6.461 1.00 1.00 C ATOM 871 OD1 ASP A 52 -6.889 11.047 7.113 1.00 1.00 O ATOM 872 OD2 ASP A 52 -8.904 10.245 6.846 1.00 1.00 O ATOM 0 H ASP A 52 -7.466 9.207 2.906 1.00 1.00 H new ATOM 0 HA ASP A 52 -6.598 11.429 4.291 1.00 1.00 H new ATOM 0 HB2 ASP A 52 -8.168 9.246 4.702 1.00 1.00 H new ATOM 0 HB3 ASP A 52 -6.737 8.703 5.557 1.00 1.00 H new ATOM 877 N GLY A 53 -4.308 9.141 3.961 1.00 1.00 N ATOM 878 CA GLY A 53 -2.859 9.022 3.987 1.00 1.00 C ATOM 879 C GLY A 53 -2.532 7.561 4.134 1.00 1.00 C ATOM 880 O GLY A 53 -3.132 6.747 3.437 1.00 1.00 O ATOM 0 H GLY A 53 -4.783 8.414 3.426 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -2.424 9.423 3.071 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -2.441 9.594 4.815 1.00 1.00 H new ATOM 884 N ARG A 54 -1.609 7.202 5.033 1.00 1.00 N ATOM 885 CA ARG A 54 -1.373 5.797 5.338 1.00 1.00 C ATOM 886 C ARG A 54 -2.682 5.131 5.740 1.00 1.00 C ATOM 887 O ARG A 54 -3.608 5.780 6.223 1.00 1.00 O ATOM 888 CB ARG A 54 -0.259 5.621 6.385 1.00 1.00 C ATOM 889 CG ARG A 54 -0.431 6.287 7.763 1.00 1.00 C ATOM 890 CD ARG A 54 -1.579 5.761 8.640 1.00 1.00 C ATOM 891 NE ARG A 54 -1.700 4.286 8.630 1.00 1.00 N ATOM 892 CZ ARG A 54 -1.855 3.507 9.711 1.00 1.00 C ATOM 893 NH1 ARG A 54 -2.015 3.994 10.933 1.00 1.00 N ATOM 894 NH2 ARG A 54 -1.892 2.196 9.566 1.00 1.00 N ATOM 0 H ARG A 54 -1.024 7.857 5.552 1.00 1.00 H new ATOM 0 HA ARG A 54 -1.010 5.294 4.442 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -0.124 4.552 6.549 1.00 1.00 H new ATOM 0 HB3 ARG A 54 0.667 5.996 5.949 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.501 6.172 8.316 1.00 1.00 H new ATOM 0 HG3 ARG A 54 -0.581 7.356 7.609 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -1.427 6.098 9.665 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -2.517 6.197 8.297 1.00 1.00 H new ATOM 0 HE ARG A 54 -1.662 3.822 7.723 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -2.024 5.003 11.083 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -2.129 3.360 11.724 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -1.803 1.783 8.638 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -2.010 1.596 10.382 1.00 1.00 H new ATOM 908 N SER A 55 -2.731 3.814 5.611 1.00 1.00 N ATOM 909 CA SER A 55 -3.862 3.021 6.087 1.00 1.00 C ATOM 910 C SER A 55 -3.375 1.668 6.579 1.00 1.00 C ATOM 911 O SER A 55 -2.197 1.533 6.910 1.00 1.00 O ATOM 912 CB SER A 55 -4.964 2.918 5.022 1.00 1.00 C ATOM 913 OG SER A 55 -6.178 3.393 5.585 1.00 1.00 O ATOM 0 H SER A 55 -1.992 3.263 5.175 1.00 1.00 H new ATOM 0 HA SER A 55 -4.322 3.527 6.936 1.00 1.00 H new ATOM 0 HB2 SER A 55 -4.698 3.506 4.143 1.00 1.00 H new ATOM 0 HB3 SER A 55 -5.077 1.885 4.692 1.00 1.00 H new ATOM 0 HG SER A 55 -6.927 2.861 5.244 1.00 1.00 H new ATOM 919 N GLU A 56 -4.265 0.689 6.725 1.00 1.00 N ATOM 920 CA GLU A 56 -3.922 -0.619 7.246 1.00 1.00 C ATOM 921 C GLU A 56 -4.698 -1.676 6.465 1.00 1.00 C ATOM 922 O GLU A 56 -5.929 -1.640 6.388 1.00 1.00 O ATOM 923 CB GLU A 56 -4.111 -0.629 8.770 1.00 1.00 C ATOM 924 CG GLU A 56 -3.393 -1.819 9.419 1.00 1.00 C ATOM 925 CD GLU A 56 -3.499 -1.869 10.945 1.00 1.00 C ATOM 926 OE1 GLU A 56 -4.076 -0.955 11.587 1.00 1.00 O ATOM 927 OE2 GLU A 56 -2.953 -2.837 11.531 1.00 1.00 O ATOM 0 H GLU A 56 -5.250 0.789 6.481 1.00 1.00 H new ATOM 0 HA GLU A 56 -2.870 -0.866 7.099 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -3.729 0.301 9.191 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -5.174 -0.672 9.005 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -3.803 -2.742 9.009 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -2.339 -1.787 9.141 1.00 1.00 H new ATOM 934 N ILE A 57 -3.960 -2.556 5.785 1.00 1.00 N ATOM 935 CA ILE A 57 -4.522 -3.559 4.882 1.00 1.00 C ATOM 936 C ILE A 57 -3.785 -4.863 5.179 1.00 1.00 C ATOM 937 O ILE A 57 -2.581 -4.878 5.422 1.00 1.00 O ATOM 938 CB ILE A 57 -4.437 -3.118 3.391 1.00 1.00 C ATOM 939 CG1 ILE A 57 -5.047 -1.712 3.158 1.00 1.00 C ATOM 940 CG2 ILE A 57 -5.149 -4.134 2.480 1.00 1.00 C ATOM 941 CD1 ILE A 57 -5.261 -1.327 1.684 1.00 1.00 C ATOM 0 H ILE A 57 -2.943 -2.591 5.848 1.00 1.00 H new ATOM 0 HA ILE A 57 -5.591 -3.693 5.051 1.00 1.00 H new ATOM 0 HB ILE A 57 -3.377 -3.076 3.140 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -6.006 -1.660 3.673 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -4.396 -0.970 3.620 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -5.077 -3.806 1.443 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -4.676 -5.111 2.585 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -6.198 -4.206 2.766 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -5.691 -0.327 1.628 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -4.304 -1.340 1.162 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -5.939 -2.041 1.216 1.00 1.00 H new ATOM 953 N ALA A 58 -4.502 -5.977 5.158 1.00 1.00 N ATOM 954 CA ALA A 58 -4.022 -7.308 5.473 1.00 1.00 C ATOM 955 C ALA A 58 -4.012 -8.187 4.236 1.00 1.00 C ATOM 956 O ALA A 58 -4.578 -7.818 3.207 1.00 1.00 O ATOM 957 CB ALA A 58 -4.889 -7.915 6.586 1.00 1.00 C ATOM 0 H ALA A 58 -5.490 -5.972 4.906 1.00 1.00 H new ATOM 0 HA ALA A 58 -2.994 -7.243 5.829 1.00 1.00 H new ATOM 0 HB1 ALA A 58 -4.528 -8.916 6.823 1.00 1.00 H new ATOM 0 HB2 ALA A 58 -4.830 -7.288 7.476 1.00 1.00 H new ATOM 0 HB3 ALA A 58 -5.924 -7.973 6.250 1.00 1.00 H new ATOM 963 N PHE A 59 -3.378 -9.352 4.341 1.00 1.00 N ATOM 964 CA PHE A 59 -3.462 -10.392 3.332 1.00 1.00 C ATOM 965 C PHE A 59 -4.401 -11.456 3.836 1.00 1.00 C ATOM 966 O PHE A 59 -4.202 -11.965 4.931 1.00 1.00 O ATOM 967 CB PHE A 59 -2.069 -10.975 2.998 1.00 1.00 C ATOM 968 CG PHE A 59 -1.359 -10.130 1.992 1.00 1.00 C ATOM 969 CD1 PHE A 59 -0.723 -8.962 2.434 1.00 1.00 C ATOM 970 CD2 PHE A 59 -1.359 -10.498 0.636 1.00 1.00 C ATOM 971 CE1 PHE A 59 -0.110 -8.132 1.471 1.00 1.00 C ATOM 972 CE2 PHE A 59 -0.736 -9.670 -0.304 1.00 1.00 C ATOM 973 CZ PHE A 59 -0.133 -8.473 0.108 1.00 1.00 C ATOM 0 H PHE A 59 -2.789 -9.598 5.136 1.00 1.00 H new ATOM 0 HA PHE A 59 -3.845 -9.973 2.402 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -1.472 -11.042 3.907 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -2.179 -11.989 2.613 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -0.703 -8.704 3.483 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -1.837 -11.414 0.321 1.00 1.00 H new ATOM 0 HE1 PHE A 59 0.383 -7.224 1.785 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -0.720 -9.953 -1.346 1.00 1.00 H new ATOM 0 HZ PHE A 59 0.313 -7.814 -0.622 1.00 1.00 H new ATOM 983 N VAL A 60 -5.405 -11.797 3.039 1.00 1.00 N ATOM 984 CA VAL A 60 -6.269 -12.938 3.315 1.00 1.00 C ATOM 985 C VAL A 60 -5.489 -14.217 3.044 1.00 1.00 C ATOM 986 O VAL A 60 -5.629 -15.182 3.794 1.00 1.00 O ATOM 987 CB VAL A 60 -7.523 -12.840 2.437 1.00 1.00 C ATOM 988 CG1 VAL A 60 -8.398 -14.094 2.479 1.00 1.00 C ATOM 989 CG2 VAL A 60 -8.341 -11.649 2.915 1.00 1.00 C ATOM 0 H VAL A 60 -5.643 -11.292 2.185 1.00 1.00 H new ATOM 0 HA VAL A 60 -6.588 -12.945 4.357 1.00 1.00 H new ATOM 0 HB VAL A 60 -7.193 -12.726 1.404 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -9.266 -13.954 1.835 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -7.822 -14.951 2.130 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -8.730 -14.272 3.502 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -9.240 -11.557 2.306 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -8.623 -11.796 3.958 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -7.747 -10.740 2.824 1.00 1.00 H new ATOM 999 N ALA A 61 -4.639 -14.177 2.015 1.00 1.00 N ATOM 1000 CA ALA A 61 -3.756 -15.241 1.591 1.00 1.00 C ATOM 1001 C ALA A 61 -3.022 -15.854 2.784 1.00 1.00 C ATOM 1002 O ALA A 61 -3.025 -17.074 2.950 1.00 1.00 O ATOM 1003 CB ALA A 61 -2.777 -14.645 0.575 1.00 1.00 C ATOM 0 H ALA A 61 -4.552 -13.348 1.428 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.325 -16.050 1.133 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.092 -15.420 0.231 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.332 -14.248 -0.275 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.209 -13.842 1.045 1.00 1.00 H new ATOM 1009 N THR A 62 -2.384 -15.007 3.595 1.00 1.00 N ATOM 1010 CA THR A 62 -1.357 -15.417 4.535 1.00 1.00 C ATOM 1011 C THR A 62 -1.561 -14.802 5.930 1.00 1.00 C ATOM 1012 O THR A 62 -0.940 -15.247 6.899 1.00 1.00 O ATOM 1013 CB THR A 62 -0.015 -15.013 3.899 1.00 1.00 C ATOM 1014 OG1 THR A 62 0.020 -15.334 2.515 1.00 1.00 O ATOM 1015 CG2 THR A 62 1.140 -15.736 4.563 1.00 1.00 C ATOM 0 H THR A 62 -2.574 -14.005 3.612 1.00 1.00 H new ATOM 0 HA THR A 62 -1.393 -16.492 4.710 1.00 1.00 H new ATOM 0 HB THR A 62 0.080 -13.936 4.036 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.687 -14.774 2.066 1.00 1.00 H new ATOM 0 HG21 THR A 62 2.076 -15.433 4.095 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.166 -15.484 5.623 1.00 1.00 H new ATOM 0 HG23 THR A 62 1.009 -16.812 4.449 1.00 1.00 H new ATOM 1023 N GLY A 63 -2.465 -13.829 6.068 1.00 1.00 N ATOM 1024 CA GLY A 63 -2.858 -13.247 7.342 1.00 1.00 C ATOM 1025 C GLY A 63 -1.852 -12.261 7.899 1.00 1.00 C ATOM 1026 O GLY A 63 -1.501 -12.359 9.074 1.00 1.00 O ATOM 0 H GLY A 63 -2.953 -13.417 5.273 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -3.817 -12.744 7.221 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -3.007 -14.048 8.066 1.00 1.00 H new ATOM 1030 N THR A 64 -1.390 -11.310 7.089 1.00 1.00 N ATOM 1031 CA THR A 64 -0.413 -10.333 7.531 1.00 1.00 C ATOM 1032 C THR A 64 -1.040 -8.960 7.326 1.00 1.00 C ATOM 1033 O THR A 64 -1.082 -8.449 6.210 1.00 1.00 O ATOM 1034 CB THR A 64 0.886 -10.577 6.762 1.00 1.00 C ATOM 1035 OG1 THR A 64 1.391 -11.867 7.051 1.00 1.00 O ATOM 1036 CG2 THR A 64 1.950 -9.516 7.049 1.00 1.00 C ATOM 0 H THR A 64 -1.683 -11.200 6.118 1.00 1.00 H new ATOM 0 HA THR A 64 -0.149 -10.409 8.586 1.00 1.00 H new ATOM 0 HB THR A 64 0.645 -10.508 5.701 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.013 -12.141 6.345 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.850 -9.739 6.477 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.572 -8.535 6.762 1.00 1.00 H new ATOM 0 HG23 THR A 64 2.187 -9.517 8.113 1.00 1.00 H new ATOM 1044 N ASN A 65 -1.633 -8.417 8.388 1.00 1.00 N ATOM 1045 CA ASN A 65 -2.201 -7.115 8.558 1.00 1.00 C ATOM 1046 C ASN A 65 -1.067 -6.116 8.740 1.00 1.00 C ATOM 1047 O ASN A 65 -0.442 -6.074 9.803 1.00 1.00 O ATOM 1048 CB ASN A 65 -3.116 -7.198 9.784 1.00 1.00 C ATOM 1049 CG ASN A 65 -2.534 -7.888 11.013 1.00 1.00 C ATOM 1050 OD1 ASN A 65 -2.388 -9.106 11.014 1.00 1.00 O ATOM 1051 ND2 ASN A 65 -2.192 -7.166 12.060 1.00 1.00 N ATOM 0 H ASN A 65 -1.729 -8.962 9.245 1.00 1.00 H new ATOM 0 HA ASN A 65 -2.785 -6.785 7.699 1.00 1.00 H new ATOM 0 HB2 ASN A 65 -3.406 -6.185 10.065 1.00 1.00 H new ATOM 0 HB3 ASN A 65 -4.027 -7.722 9.496 1.00 1.00 H new ATOM 0 HD21 ASN A 65 -1.800 -7.619 12.886 1.00 1.00 H new ATOM 0 HD22 ASN A 65 -2.319 -6.154 12.045 1.00 1.00 H new ATOM 1058 N LEU A 66 -0.780 -5.325 7.707 1.00 1.00 N ATOM 1059 CA LEU A 66 0.312 -4.367 7.699 1.00 1.00 C ATOM 1060 C LEU A 66 -0.244 -2.963 7.496 1.00 1.00 C ATOM 1061 O LEU A 66 -1.362 -2.789 7.006 1.00 1.00 O ATOM 1062 CB LEU A 66 1.500 -4.859 6.848 1.00 1.00 C ATOM 1063 CG LEU A 66 1.433 -4.860 5.316 1.00 1.00 C ATOM 1064 CD1 LEU A 66 0.616 -5.999 4.712 1.00 1.00 C ATOM 1065 CD2 LEU A 66 0.915 -3.524 4.831 1.00 1.00 C ATOM 0 H LEU A 66 -1.314 -5.336 6.838 1.00 1.00 H new ATOM 0 HA LEU A 66 0.805 -4.286 8.668 1.00 1.00 H new ATOM 0 HB2 LEU A 66 2.364 -4.256 7.128 1.00 1.00 H new ATOM 0 HB3 LEU A 66 1.711 -5.882 7.158 1.00 1.00 H new ATOM 0 HG LEU A 66 2.453 -5.028 4.970 1.00 1.00 H new ATOM 0 HD11 LEU A 66 0.626 -5.917 3.625 1.00 1.00 H new ATOM 0 HD12 LEU A 66 1.049 -6.954 5.008 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -0.411 -5.940 5.071 1.00 1.00 H new ATOM 0 HD21 LEU A 66 0.868 -3.526 3.742 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -0.082 -3.351 5.237 1.00 1.00 H new ATOM 0 HD23 LEU A 66 1.585 -2.731 5.164 1.00 1.00 H new ATOM 1077 N SER A 67 0.512 -1.951 7.904 1.00 1.00 N ATOM 1078 CA SER A 67 0.113 -0.578 7.686 1.00 1.00 C ATOM 1079 C SER A 67 0.589 -0.183 6.302 1.00 1.00 C ATOM 1080 O SER A 67 1.793 -0.111 6.058 1.00 1.00 O ATOM 1081 CB SER A 67 0.698 0.321 8.772 1.00 1.00 C ATOM 1082 OG SER A 67 0.096 -0.012 10.008 1.00 1.00 O ATOM 0 H SER A 67 1.404 -2.062 8.387 1.00 1.00 H new ATOM 0 HA SER A 67 -0.970 -0.467 7.742 1.00 1.00 H new ATOM 0 HB2 SER A 67 1.778 0.190 8.830 1.00 1.00 H new ATOM 0 HB3 SER A 67 0.517 1.369 8.533 1.00 1.00 H new ATOM 0 HG SER A 67 0.464 0.558 10.715 1.00 1.00 H new ATOM 1088 N LEU A 68 -0.347 0.045 5.386 1.00 1.00 N ATOM 1089 CA LEU A 68 -0.015 0.538 4.069 1.00 1.00 C ATOM 1090 C LEU A 68 0.361 1.997 4.186 1.00 1.00 C ATOM 1091 O LEU A 68 -0.227 2.720 4.988 1.00 1.00 O ATOM 1092 CB LEU A 68 -1.214 0.431 3.118 1.00 1.00 C ATOM 1093 CG LEU A 68 -1.163 -0.765 2.170 1.00 1.00 C ATOM 1094 CD1 LEU A 68 -2.093 -0.470 1.002 1.00 1.00 C ATOM 1095 CD2 LEU A 68 0.214 -1.061 1.604 1.00 1.00 C ATOM 0 H LEU A 68 -1.344 -0.107 5.540 1.00 1.00 H new ATOM 0 HA LEU A 68 0.806 -0.059 3.672 1.00 1.00 H new ATOM 0 HB2 LEU A 68 -2.127 0.371 3.710 1.00 1.00 H new ATOM 0 HB3 LEU A 68 -1.276 1.345 2.527 1.00 1.00 H new ATOM 0 HG LEU A 68 -1.457 -1.639 2.751 1.00 1.00 H new ATOM 0 HD11 LEU A 68 -2.079 -1.308 0.305 1.00 1.00 H new ATOM 0 HD12 LEU A 68 -3.108 -0.324 1.373 1.00 1.00 H new ATOM 0 HD13 LEU A 68 -1.760 0.433 0.491 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.157 -1.925 0.942 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.570 -0.197 1.043 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.905 -1.274 2.420 1.00 1.00 H new ATOM 1107 N GLN A 69 1.292 2.442 3.353 1.00 1.00 N ATOM 1108 CA GLN A 69 1.895 3.755 3.508 1.00 1.00 C ATOM 1109 C GLN A 69 1.753 4.535 2.198 1.00 1.00 C ATOM 1110 O GLN A 69 2.614 4.462 1.326 1.00 1.00 O ATOM 1111 CB GLN A 69 3.377 3.618 3.936 1.00 1.00 C ATOM 1112 CG GLN A 69 3.659 2.694 5.140 1.00 1.00 C ATOM 1113 CD GLN A 69 5.111 2.819 5.624 1.00 1.00 C ATOM 1114 OE1 GLN A 69 5.634 3.927 5.735 1.00 1.00 O ATOM 1115 NE2 GLN A 69 5.794 1.732 5.956 1.00 1.00 N ATOM 0 H GLN A 69 1.646 1.908 2.559 1.00 1.00 H new ATOM 0 HA GLN A 69 1.380 4.308 4.294 1.00 1.00 H new ATOM 0 HB2 GLN A 69 3.947 3.251 3.082 1.00 1.00 H new ATOM 0 HB3 GLN A 69 3.759 4.612 4.171 1.00 1.00 H new ATOM 0 HG2 GLN A 69 2.981 2.943 5.956 1.00 1.00 H new ATOM 0 HG3 GLN A 69 3.456 1.660 4.861 1.00 1.00 H new ATOM 0 HE21 GLN A 69 5.364 0.812 5.865 1.00 1.00 H new ATOM 0 HE22 GLN A 69 6.750 1.816 6.302 1.00 1.00 H new ATOM 1124 N PHE A 70 0.663 5.284 2.014 1.00 1.00 N ATOM 1125 CA PHE A 70 0.472 6.075 0.795 1.00 1.00 C ATOM 1126 C PHE A 70 1.245 7.396 0.895 1.00 1.00 C ATOM 1127 O PHE A 70 0.685 8.488 0.745 1.00 1.00 O ATOM 1128 CB PHE A 70 -1.010 6.269 0.463 1.00 1.00 C ATOM 1129 CG PHE A 70 -1.786 4.973 0.360 1.00 1.00 C ATOM 1130 CD1 PHE A 70 -2.294 4.406 1.533 1.00 1.00 C ATOM 1131 CD2 PHE A 70 -1.986 4.314 -0.864 1.00 1.00 C ATOM 1132 CE1 PHE A 70 -2.987 3.195 1.521 1.00 1.00 C ATOM 1133 CE2 PHE A 70 -2.742 3.128 -0.904 1.00 1.00 C ATOM 1134 CZ PHE A 70 -3.247 2.572 0.285 1.00 1.00 C ATOM 0 H PHE A 70 -0.097 5.360 2.690 1.00 1.00 H new ATOM 0 HA PHE A 70 0.885 5.520 -0.047 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -1.466 6.895 1.230 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -1.094 6.808 -0.480 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -2.146 4.918 2.472 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -1.561 4.716 -1.772 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -3.318 2.743 2.444 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -2.935 2.644 -1.850 1.00 1.00 H new ATOM 0 HZ PHE A 70 -3.835 1.667 0.250 1.00 1.00 H new ATOM 1144 N PHE A 71 2.547 7.293 1.148 1.00 1.00 N ATOM 1145 CA PHE A 71 3.478 8.370 1.332 1.00 1.00 C ATOM 1146 C PHE A 71 4.617 8.237 0.317 1.00 1.00 C ATOM 1147 O PHE A 71 5.563 7.482 0.553 1.00 1.00 O ATOM 1148 CB PHE A 71 3.964 8.354 2.755 1.00 1.00 C ATOM 1149 CG PHE A 71 2.914 8.704 3.796 1.00 1.00 C ATOM 1150 CD1 PHE A 71 1.918 9.688 3.630 1.00 1.00 C ATOM 1151 CD2 PHE A 71 2.969 7.992 4.986 1.00 1.00 C ATOM 1152 CE1 PHE A 71 0.999 9.939 4.668 1.00 1.00 C ATOM 1153 CE2 PHE A 71 2.094 8.266 6.049 1.00 1.00 C ATOM 1154 CZ PHE A 71 1.098 9.243 5.886 1.00 1.00 C ATOM 0 H PHE A 71 2.998 6.382 1.233 1.00 1.00 H new ATOM 0 HA PHE A 71 3.002 9.335 1.155 1.00 1.00 H new ATOM 0 HB2 PHE A 71 4.358 7.362 2.977 1.00 1.00 H new ATOM 0 HB3 PHE A 71 4.794 9.055 2.848 1.00 1.00 H new ATOM 0 HD1 PHE A 71 1.860 10.248 2.709 1.00 1.00 H new ATOM 0 HD2 PHE A 71 3.703 7.208 5.097 1.00 1.00 H new ATOM 0 HE1 PHE A 71 0.215 10.669 4.528 1.00 1.00 H new ATOM 0 HE2 PHE A 71 2.186 7.731 6.983 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.412 9.459 6.692 1.00 1.00 H new ATOM 1164 N PRO A 72 4.525 8.926 -0.831 1.00 1.00 N ATOM 1165 CA PRO A 72 5.670 9.160 -1.693 1.00 1.00 C ATOM 1166 C PRO A 72 6.635 10.092 -0.965 1.00 1.00 C ATOM 1167 O PRO A 72 6.247 10.769 -0.017 1.00 1.00 O ATOM 1168 CB PRO A 72 5.112 9.827 -2.949 1.00 1.00 C ATOM 1169 CG PRO A 72 3.826 10.505 -2.476 1.00 1.00 C ATOM 1170 CD PRO A 72 3.425 9.797 -1.184 1.00 1.00 C ATOM 0 HA PRO A 72 6.207 8.247 -1.949 1.00 1.00 H new ATOM 0 HB2 PRO A 72 5.815 10.551 -3.361 1.00 1.00 H new ATOM 0 HB3 PRO A 72 4.912 9.096 -3.732 1.00 1.00 H new ATOM 0 HG2 PRO A 72 3.987 11.569 -2.303 1.00 1.00 H new ATOM 0 HG3 PRO A 72 3.041 10.419 -3.227 1.00 1.00 H new ATOM 0 HD2 PRO A 72 3.232 10.519 -0.390 1.00 1.00 H new ATOM 0 HD3 PRO A 72 2.508 9.225 -1.324 1.00 1.00 H new ATOM 1178 N ALA A 73 7.870 10.187 -1.453 1.00 1.00 N ATOM 1179 CA ALA A 73 8.953 10.834 -0.706 1.00 1.00 C ATOM 1180 C ALA A 73 8.784 12.343 -0.462 1.00 1.00 C ATOM 1181 O ALA A 73 9.603 12.916 0.256 1.00 1.00 O ATOM 1182 CB ALA A 73 10.299 10.565 -1.374 1.00 1.00 C ATOM 0 H ALA A 73 8.149 9.824 -2.365 1.00 1.00 H new ATOM 0 HA ALA A 73 8.911 10.378 0.283 1.00 1.00 H new ATOM 0 HB1 ALA A 73 11.091 11.053 -0.806 1.00 1.00 H new ATOM 0 HB2 ALA A 73 10.482 9.491 -1.404 1.00 1.00 H new ATOM 0 HB3 ALA A 73 10.286 10.959 -2.390 1.00 1.00 H new ATOM 1188 N SER A 74 7.749 12.999 -0.992 1.00 1.00 N ATOM 1189 CA SER A 74 7.321 14.328 -0.581 1.00 1.00 C ATOM 1190 C SER A 74 5.871 14.204 -0.112 1.00 1.00 C ATOM 1191 O SER A 74 4.943 14.167 -0.924 1.00 1.00 O ATOM 1192 CB SER A 74 7.537 15.336 -1.718 1.00 1.00 C ATOM 1193 OG SER A 74 7.656 16.653 -1.213 1.00 1.00 O ATOM 0 H SER A 74 7.174 12.606 -1.737 1.00 1.00 H new ATOM 0 HA SER A 74 7.914 14.718 0.246 1.00 1.00 H new ATOM 0 HB2 SER A 74 8.436 15.074 -2.275 1.00 1.00 H new ATOM 0 HB3 SER A 74 6.703 15.285 -2.417 1.00 1.00 H new ATOM 0 HG SER A 74 7.795 17.277 -1.956 1.00 1.00 H new ATOM 1199 N TRP A 75 5.676 14.059 1.197 1.00 1.00 N ATOM 1200 CA TRP A 75 4.408 13.811 1.853 1.00 1.00 C ATOM 1201 C TRP A 75 4.233 14.787 3.016 1.00 1.00 C ATOM 1202 O TRP A 75 5.163 15.501 3.394 1.00 1.00 O ATOM 1203 CB TRP A 75 4.376 12.354 2.330 1.00 1.00 C ATOM 1204 CG TRP A 75 5.495 11.895 3.220 1.00 1.00 C ATOM 1205 CD1 TRP A 75 6.776 11.723 2.834 1.00 1.00 C ATOM 1206 CD2 TRP A 75 5.467 11.538 4.635 1.00 1.00 C ATOM 1207 NE1 TRP A 75 7.540 11.276 3.884 1.00 1.00 N ATOM 1208 CE2 TRP A 75 6.792 11.184 5.037 1.00 1.00 C ATOM 1209 CE3 TRP A 75 4.463 11.489 5.626 1.00 1.00 C ATOM 1210 CZ2 TRP A 75 7.100 10.821 6.355 1.00 1.00 C ATOM 1211 CZ3 TRP A 75 4.763 11.120 6.951 1.00 1.00 C ATOM 1212 CH2 TRP A 75 6.080 10.795 7.319 1.00 1.00 C ATOM 0 H TRP A 75 6.448 14.116 1.861 1.00 1.00 H new ATOM 0 HA TRP A 75 3.581 13.968 1.161 1.00 1.00 H new ATOM 0 HB2 TRP A 75 3.437 12.193 2.859 1.00 1.00 H new ATOM 0 HB3 TRP A 75 4.360 11.711 1.450 1.00 1.00 H new ATOM 0 HD1 TRP A 75 7.149 11.911 1.838 1.00 1.00 H new ATOM 0 HE1 TRP A 75 8.531 11.043 3.819 1.00 1.00 H new ATOM 0 HE3 TRP A 75 3.446 11.739 5.363 1.00 1.00 H new ATOM 0 HZ2 TRP A 75 8.113 10.564 6.627 1.00 1.00 H new ATOM 0 HZ3 TRP A 75 3.976 11.086 7.690 1.00 1.00 H new ATOM 0 HH2 TRP A 75 6.306 10.526 8.340 1.00 1.00 H new ATOM 1223 N GLN A 76 3.025 14.829 3.575 1.00 1.00 N ATOM 1224 CA GLN A 76 2.625 15.774 4.600 1.00 1.00 C ATOM 1225 C GLN A 76 1.739 15.177 5.700 1.00 1.00 C ATOM 1226 O GLN A 76 1.594 15.797 6.752 1.00 1.00 O ATOM 1227 CB GLN A 76 2.032 17.024 3.942 1.00 1.00 C ATOM 1228 CG GLN A 76 1.315 16.890 2.596 1.00 1.00 C ATOM 1229 CD GLN A 76 0.134 15.943 2.619 1.00 1.00 C ATOM 1230 OE1 GLN A 76 0.112 14.960 1.885 1.00 1.00 O ATOM 1231 NE2 GLN A 76 -0.841 16.171 3.475 1.00 1.00 N ATOM 0 H GLN A 76 2.279 14.184 3.315 1.00 1.00 H new ATOM 0 HA GLN A 76 3.522 16.067 5.145 1.00 1.00 H new ATOM 0 HB2 GLN A 76 1.326 17.463 4.647 1.00 1.00 H new ATOM 0 HB3 GLN A 76 2.842 17.742 3.813 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.972 17.875 2.279 1.00 1.00 H new ATOM 0 HG3 GLN A 76 2.029 16.546 1.848 1.00 1.00 H new ATOM 0 HE21 GLN A 76 -0.808 16.993 4.078 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -1.629 15.526 3.534 1.00 1.00 H new ATOM 1240 N GLY A 77 1.220 13.955 5.537 1.00 1.00 N ATOM 1241 CA GLY A 77 0.672 13.186 6.649 1.00 1.00 C ATOM 1242 C GLY A 77 -0.566 13.808 7.291 1.00 1.00 C ATOM 1243 O GLY A 77 -0.733 13.699 8.507 1.00 1.00 O ATOM 0 H GLY A 77 1.170 13.478 4.637 1.00 1.00 H new ATOM 0 HA2 GLY A 77 0.420 12.186 6.295 1.00 1.00 H new ATOM 0 HA3 GLY A 77 1.443 13.070 7.411 1.00 1.00 H new ATOM 1247 N GLU A 78 -1.422 14.443 6.490 1.00 1.00 N ATOM 1248 CA GLU A 78 -2.719 14.971 6.934 1.00 1.00 C ATOM 1249 C GLU A 78 -3.891 14.448 6.086 1.00 1.00 C ATOM 1250 O GLU A 78 -5.043 14.598 6.487 1.00 1.00 O ATOM 1251 CB GLU A 78 -2.684 16.514 6.910 1.00 1.00 C ATOM 1252 CG GLU A 78 -3.732 17.142 7.853 1.00 1.00 C ATOM 1253 CD GLU A 78 -4.103 18.592 7.526 1.00 1.00 C ATOM 1254 OE1 GLU A 78 -4.239 18.973 6.337 1.00 1.00 O ATOM 1255 OE2 GLU A 78 -4.344 19.382 8.468 1.00 1.00 O ATOM 0 H GLU A 78 -1.235 14.609 5.501 1.00 1.00 H new ATOM 0 HA GLU A 78 -2.887 14.619 7.952 1.00 1.00 H new ATOM 0 HB2 GLU A 78 -1.690 16.856 7.197 1.00 1.00 H new ATOM 0 HB3 GLU A 78 -2.860 16.863 5.892 1.00 1.00 H new ATOM 0 HG2 GLU A 78 -4.637 16.535 7.824 1.00 1.00 H new ATOM 0 HG3 GLU A 78 -3.353 17.100 8.874 1.00 1.00 H new ATOM 1262 N GLN A 79 -3.599 13.847 4.924 1.00 1.00 N ATOM 1263 CA GLN A 79 -4.454 13.640 3.761 1.00 1.00 C ATOM 1264 C GLN A 79 -3.602 14.022 2.571 1.00 1.00 C ATOM 1265 O GLN A 79 -3.354 15.208 2.343 1.00 1.00 O ATOM 1266 CB GLN A 79 -5.812 14.349 3.781 1.00 1.00 C ATOM 1267 CG GLN A 79 -6.557 14.177 2.458 1.00 1.00 C ATOM 1268 CD GLN A 79 -8.058 14.430 2.569 1.00 1.00 C ATOM 1269 OE1 GLN A 79 -8.620 14.669 3.638 1.00 1.00 O ATOM 1270 NE2 GLN A 79 -8.744 14.367 1.441 1.00 1.00 N ATOM 0 H GLN A 79 -2.669 13.459 4.766 1.00 1.00 H new ATOM 0 HA GLN A 79 -4.774 12.598 3.732 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -6.418 13.952 4.595 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -5.666 15.410 3.981 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -6.135 14.860 1.721 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -6.393 13.165 2.086 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -8.265 14.168 0.563 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -9.753 14.517 1.449 1.00 1.00 H new ATOM 1279 N ARG A 80 -2.989 13.031 1.922 1.00 1.00 N ATOM 1280 CA ARG A 80 -2.427 13.286 0.597 1.00 1.00 C ATOM 1281 C ARG A 80 -3.582 13.877 -0.214 1.00 1.00 C ATOM 1282 O ARG A 80 -4.659 13.287 -0.236 1.00 1.00 O ATOM 1283 CB ARG A 80 -1.953 11.934 0.019 1.00 1.00 C ATOM 1284 CG ARG A 80 -0.520 11.884 -0.538 1.00 1.00 C ATOM 1285 CD ARG A 80 -0.323 12.582 -1.891 1.00 1.00 C ATOM 1286 NE ARG A 80 -0.022 14.009 -1.735 1.00 1.00 N ATOM 1287 CZ ARG A 80 1.196 14.515 -1.477 1.00 1.00 C ATOM 1288 NH1 ARG A 80 2.294 13.792 -1.659 1.00 1.00 N ATOM 1289 NH2 ARG A 80 1.299 15.750 -1.027 1.00 1.00 N ATOM 0 H ARG A 80 -2.872 12.081 2.275 1.00 1.00 H new ATOM 0 HA ARG A 80 -1.575 13.965 0.595 1.00 1.00 H new ATOM 0 HB2 ARG A 80 -2.040 11.180 0.802 1.00 1.00 H new ATOM 0 HB3 ARG A 80 -2.638 11.646 -0.778 1.00 1.00 H new ATOM 0 HG2 ARG A 80 0.152 12.339 0.189 1.00 1.00 H new ATOM 0 HG3 ARG A 80 -0.222 10.840 -0.638 1.00 1.00 H new ATOM 0 HD2 ARG A 80 0.489 12.098 -2.434 1.00 1.00 H new ATOM 0 HD3 ARG A 80 -1.224 12.465 -2.494 1.00 1.00 H new ATOM 0 HE ARG A 80 -0.796 14.667 -1.829 1.00 1.00 H new ATOM 0 HH11 ARG A 80 2.223 12.834 -2.001 1.00 1.00 H new ATOM 0 HH12 ARG A 80 3.209 14.195 -1.457 1.00 1.00 H new ATOM 0 HH21 ARG A 80 0.460 16.310 -0.878 1.00 1.00 H new ATOM 0 HH22 ARG A 80 2.218 16.145 -0.828 1.00 1.00 H new ATOM 1303 N GLN A 81 -3.362 14.975 -0.935 1.00 1.00 N ATOM 1304 CA GLN A 81 -4.503 15.672 -1.523 1.00 1.00 C ATOM 1305 C GLN A 81 -4.831 15.037 -2.866 1.00 1.00 C ATOM 1306 O GLN A 81 -5.848 14.351 -2.973 1.00 1.00 O ATOM 1307 CB GLN A 81 -4.284 17.184 -1.555 1.00 1.00 C ATOM 1308 CG GLN A 81 -4.215 17.757 -0.131 1.00 1.00 C ATOM 1309 CD GLN A 81 -4.058 19.275 -0.131 1.00 1.00 C ATOM 1310 OE1 GLN A 81 -4.635 19.991 -0.950 1.00 1.00 O ATOM 1311 NE2 GLN A 81 -3.318 19.827 0.809 1.00 1.00 N ATOM 0 H GLN A 81 -2.447 15.387 -1.121 1.00 1.00 H new ATOM 0 HA GLN A 81 -5.388 15.554 -0.897 1.00 1.00 H new ATOM 0 HB2 GLN A 81 -3.361 17.411 -2.088 1.00 1.00 H new ATOM 0 HB3 GLN A 81 -5.095 17.662 -2.105 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -5.120 17.486 0.413 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -3.377 17.306 0.401 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -2.837 19.240 1.490 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -3.226 20.842 0.855 1.00 1.00 H new ATOM 1320 N THR A 82 -3.931 15.166 -3.840 1.00 1.00 N ATOM 1321 CA THR A 82 -4.001 14.417 -5.094 1.00 1.00 C ATOM 1322 C THR A 82 -2.760 13.508 -5.236 1.00 1.00 C ATOM 1323 O THR A 82 -1.774 13.899 -5.875 1.00 1.00 O ATOM 1324 CB THR A 82 -4.266 15.351 -6.288 1.00 1.00 C ATOM 1325 OG1 THR A 82 -5.275 16.300 -5.977 1.00 1.00 O ATOM 1326 CG2 THR A 82 -4.755 14.539 -7.488 1.00 1.00 C ATOM 0 H THR A 82 -3.130 15.795 -3.781 1.00 1.00 H new ATOM 0 HA THR A 82 -4.860 13.746 -5.081 1.00 1.00 H new ATOM 0 HB THR A 82 -3.331 15.862 -6.517 1.00 1.00 H new ATOM 0 HG1 THR A 82 -5.425 16.883 -6.750 1.00 1.00 H new ATOM 0 HG21 THR A 82 -4.940 15.208 -8.329 1.00 1.00 H new ATOM 0 HG22 THR A 82 -3.996 13.808 -7.766 1.00 1.00 H new ATOM 0 HG23 THR A 82 -5.678 14.022 -7.226 1.00 1.00 H new ATOM 1334 N PRO A 83 -2.766 12.311 -4.612 1.00 1.00 N ATOM 1335 CA PRO A 83 -1.822 11.212 -4.873 1.00 1.00 C ATOM 1336 C PRO A 83 -1.884 10.728 -6.331 1.00 1.00 C ATOM 1337 O PRO A 83 -2.673 11.250 -7.121 1.00 1.00 O ATOM 1338 CB PRO A 83 -2.199 10.104 -3.877 1.00 1.00 C ATOM 1339 CG PRO A 83 -3.660 10.394 -3.551 1.00 1.00 C ATOM 1340 CD PRO A 83 -3.713 11.909 -3.584 1.00 1.00 C ATOM 0 HA PRO A 83 -0.790 11.534 -4.736 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -2.075 9.113 -4.314 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -1.575 10.139 -2.984 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -4.334 9.949 -4.283 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -3.943 10.000 -2.575 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -4.718 12.261 -3.817 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.444 12.332 -2.616 1.00 1.00 H new ATOM 1348 N SER A 84 -1.059 9.742 -6.710 1.00 1.00 N ATOM 1349 CA SER A 84 -1.019 9.292 -8.088 1.00 1.00 C ATOM 1350 C SER A 84 -2.280 8.490 -8.370 1.00 1.00 C ATOM 1351 O SER A 84 -2.923 7.984 -7.448 1.00 1.00 O ATOM 1352 CB SER A 84 0.207 8.415 -8.372 1.00 1.00 C ATOM 1353 OG SER A 84 1.302 8.644 -7.498 1.00 1.00 O ATOM 0 H SER A 84 -0.421 9.252 -6.082 1.00 1.00 H new ATOM 0 HA SER A 84 -0.955 10.169 -8.732 1.00 1.00 H new ATOM 0 HB2 SER A 84 -0.086 7.367 -8.302 1.00 1.00 H new ATOM 0 HB3 SER A 84 0.533 8.587 -9.398 1.00 1.00 H new ATOM 0 HG SER A 84 1.253 8.023 -6.742 1.00 1.00 H new ATOM 1359 N ARG A 85 -2.562 8.292 -9.650 1.00 1.00 N ATOM 1360 CA ARG A 85 -3.790 7.663 -10.106 1.00 1.00 C ATOM 1361 C ARG A 85 -3.820 6.209 -9.646 1.00 1.00 C ATOM 1362 O ARG A 85 -4.790 5.794 -9.028 1.00 1.00 O ATOM 1363 CB ARG A 85 -3.883 7.867 -11.625 1.00 1.00 C ATOM 1364 CG ARG A 85 -5.273 7.630 -12.231 1.00 1.00 C ATOM 1365 CD ARG A 85 -5.241 8.146 -13.677 1.00 1.00 C ATOM 1366 NE ARG A 85 -6.542 8.043 -14.355 1.00 1.00 N ATOM 1367 CZ ARG A 85 -6.715 7.977 -15.681 1.00 1.00 C ATOM 1368 NH1 ARG A 85 -5.707 8.181 -16.526 1.00 1.00 N ATOM 1369 NH2 ARG A 85 -7.923 7.721 -16.152 1.00 1.00 N ATOM 0 H ARG A 85 -1.937 8.567 -10.408 1.00 1.00 H new ATOM 0 HA ARG A 85 -4.681 8.115 -9.670 1.00 1.00 H new ATOM 0 HB2 ARG A 85 -3.571 8.885 -11.859 1.00 1.00 H new ATOM 0 HB3 ARG A 85 -3.173 7.197 -12.110 1.00 1.00 H new ATOM 0 HG2 ARG A 85 -5.526 6.570 -12.208 1.00 1.00 H new ATOM 0 HG3 ARG A 85 -6.037 8.152 -11.655 1.00 1.00 H new ATOM 0 HD2 ARG A 85 -4.919 9.187 -13.678 1.00 1.00 H new ATOM 0 HD3 ARG A 85 -4.498 7.582 -14.241 1.00 1.00 H new ATOM 0 HE ARG A 85 -7.377 8.020 -13.770 1.00 1.00 H new ATOM 0 HH11 ARG A 85 -4.776 8.393 -16.167 1.00 1.00 H new ATOM 0 HH12 ARG A 85 -5.866 8.125 -17.532 1.00 1.00 H new ATOM 0 HH21 ARG A 85 -8.702 7.578 -15.509 1.00 1.00 H new ATOM 0 HH22 ARG A 85 -8.077 7.666 -17.159 1.00 1.00 H new ATOM 1383 N GLU A 86 -2.743 5.451 -9.871 1.00 1.00 N ATOM 1384 CA GLU A 86 -2.672 4.054 -9.440 1.00 1.00 C ATOM 1385 C GLU A 86 -2.437 3.933 -7.925 1.00 1.00 C ATOM 1386 O GLU A 86 -2.716 2.881 -7.359 1.00 1.00 O ATOM 1387 CB GLU A 86 -1.537 3.362 -10.210 1.00 1.00 C ATOM 1388 CG GLU A 86 -1.481 1.828 -10.111 1.00 1.00 C ATOM 1389 CD GLU A 86 -2.640 1.069 -10.763 1.00 1.00 C ATOM 1390 OE1 GLU A 86 -3.376 1.661 -11.588 1.00 1.00 O ATOM 1391 OE2 GLU A 86 -2.689 -0.168 -10.559 1.00 1.00 O ATOM 0 H GLU A 86 -1.907 5.784 -10.351 1.00 1.00 H new ATOM 0 HA GLU A 86 -3.626 3.573 -9.654 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -1.622 3.634 -11.262 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -0.588 3.762 -9.853 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -0.550 1.489 -10.565 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -1.441 1.553 -9.057 1.00 1.00 H new ATOM 1398 N TYR A 87 -1.886 4.968 -7.273 1.00 1.00 N ATOM 1399 CA TYR A 87 -1.681 4.982 -5.824 1.00 1.00 C ATOM 1400 C TYR A 87 -3.053 5.009 -5.156 1.00 1.00 C ATOM 1401 O TYR A 87 -3.422 4.049 -4.473 1.00 1.00 O ATOM 1402 CB TYR A 87 -0.817 6.182 -5.373 1.00 1.00 C ATOM 1403 CG TYR A 87 0.700 6.090 -5.508 1.00 1.00 C ATOM 1404 CD1 TYR A 87 1.329 5.111 -6.300 1.00 1.00 C ATOM 1405 CD2 TYR A 87 1.496 7.010 -4.796 1.00 1.00 C ATOM 1406 CE1 TYR A 87 2.733 5.003 -6.313 1.00 1.00 C ATOM 1407 CE2 TYR A 87 2.899 6.892 -4.780 1.00 1.00 C ATOM 1408 CZ TYR A 87 3.517 5.865 -5.518 1.00 1.00 C ATOM 1409 OH TYR A 87 4.861 5.703 -5.421 1.00 1.00 O ATOM 0 H TYR A 87 -1.571 5.818 -7.740 1.00 1.00 H new ATOM 0 HA TYR A 87 -1.133 4.088 -5.527 1.00 1.00 H new ATOM 0 HB2 TYR A 87 -1.146 7.055 -5.937 1.00 1.00 H new ATOM 0 HB3 TYR A 87 -1.043 6.376 -4.325 1.00 1.00 H new ATOM 0 HD1 TYR A 87 0.732 4.440 -6.900 1.00 1.00 H new ATOM 0 HD2 TYR A 87 1.023 7.817 -4.255 1.00 1.00 H new ATOM 0 HE1 TYR A 87 3.210 4.259 -6.933 1.00 1.00 H new ATOM 0 HE2 TYR A 87 3.497 7.584 -4.206 1.00 1.00 H new ATOM 0 HH TYR A 87 5.204 5.314 -6.252 1.00 1.00 H new ATOM 1419 N VAL A 88 -3.791 6.113 -5.325 1.00 1.00 N ATOM 1420 CA VAL A 88 -5.108 6.258 -4.713 1.00 1.00 C ATOM 1421 C VAL A 88 -6.047 7.028 -5.651 1.00 1.00 C ATOM 1422 O VAL A 88 -5.672 8.059 -6.208 1.00 1.00 O ATOM 1423 CB VAL A 88 -4.962 6.971 -3.345 1.00 1.00 C ATOM 1424 CG1 VAL A 88 -6.316 7.199 -2.664 1.00 1.00 C ATOM 1425 CG2 VAL A 88 -4.039 6.264 -2.338 1.00 1.00 C ATOM 0 H VAL A 88 -3.495 6.915 -5.881 1.00 1.00 H new ATOM 0 HA VAL A 88 -5.547 5.274 -4.544 1.00 1.00 H new ATOM 0 HB VAL A 88 -4.497 7.920 -3.611 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -6.163 7.701 -1.709 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -6.945 7.819 -3.303 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -6.804 6.239 -2.495 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -4.002 6.839 -1.413 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -4.424 5.266 -2.130 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -3.036 6.185 -2.757 1.00 1.00 H new ATOM 1435 N ASP A 89 -7.314 6.591 -5.690 1.00 1.00 N ATOM 1436 CA ASP A 89 -8.476 7.361 -6.155 1.00 1.00 C ATOM 1437 C ASP A 89 -8.401 7.720 -7.642 1.00 1.00 C ATOM 1438 O ASP A 89 -8.463 8.868 -8.072 1.00 1.00 O ATOM 1439 CB ASP A 89 -8.767 8.547 -5.224 1.00 1.00 C ATOM 1440 CG ASP A 89 -9.989 9.352 -5.659 1.00 1.00 C ATOM 1441 OD1 ASP A 89 -11.011 8.756 -6.076 1.00 1.00 O ATOM 1442 OD2 ASP A 89 -9.933 10.593 -5.517 1.00 1.00 O ATOM 0 H ASP A 89 -7.567 5.651 -5.385 1.00 1.00 H new ATOM 0 HA ASP A 89 -9.350 6.712 -6.090 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -8.922 8.178 -4.210 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -7.897 9.203 -5.195 1.00 1.00 H new ATOM 1447 N LEU A 90 -8.367 6.660 -8.441 1.00 1.00 N ATOM 1448 CA LEU A 90 -8.524 6.555 -9.884 1.00 1.00 C ATOM 1449 C LEU A 90 -9.999 6.673 -10.283 1.00 1.00 C ATOM 1450 O LEU A 90 -10.469 5.931 -11.134 1.00 1.00 O ATOM 1451 CB LEU A 90 -7.887 5.235 -10.384 1.00 1.00 C ATOM 1452 CG LEU A 90 -8.193 3.908 -9.647 1.00 1.00 C ATOM 1453 CD1 LEU A 90 -7.536 3.804 -8.264 1.00 1.00 C ATOM 1454 CD2 LEU A 90 -9.675 3.572 -9.436 1.00 1.00 C ATOM 0 H LEU A 90 -8.208 5.737 -8.038 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.002 7.383 -10.365 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.182 5.105 -11.425 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -6.806 5.371 -10.374 1.00 1.00 H new ATOM 0 HG LEU A 90 -7.767 3.194 -10.352 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -7.795 2.848 -7.809 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -6.453 3.874 -8.369 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -7.892 4.616 -7.630 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.761 2.621 -8.910 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.146 4.358 -8.845 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -10.173 3.498 -10.403 1.00 1.00 H new ATOM 1466 N GLU A 91 -10.731 7.583 -9.638 1.00 1.00 N ATOM 1467 CA GLU A 91 -12.171 7.805 -9.551 1.00 1.00 C ATOM 1468 C GLU A 91 -12.852 6.661 -8.812 1.00 1.00 C ATOM 1469 O GLU A 91 -13.557 6.876 -7.824 1.00 1.00 O ATOM 1470 CB GLU A 91 -12.736 7.993 -10.978 1.00 1.00 C ATOM 1471 CG GLU A 91 -14.266 8.006 -11.124 1.00 1.00 C ATOM 1472 CD GLU A 91 -14.736 7.484 -12.493 1.00 1.00 C ATOM 1473 OE1 GLU A 91 -13.917 7.262 -13.415 1.00 1.00 O ATOM 1474 OE2 GLU A 91 -15.966 7.324 -12.674 1.00 1.00 O ATOM 0 H GLU A 91 -10.248 8.287 -9.080 1.00 1.00 H new ATOM 0 HA GLU A 91 -12.372 8.709 -8.976 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -12.349 8.932 -11.375 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -12.342 7.195 -11.607 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -14.707 7.396 -10.336 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -14.632 9.023 -10.982 1.00 1.00 H new ATOM 1481 N ARG A 92 -12.589 5.445 -9.262 1.00 1.00 N ATOM 1482 CA ARG A 92 -13.350 4.214 -9.090 1.00 1.00 C ATOM 1483 C ARG A 92 -13.113 3.393 -10.341 1.00 1.00 C ATOM 1484 O ARG A 92 -13.295 3.895 -11.449 1.00 1.00 O ATOM 1485 CB ARG A 92 -14.890 4.394 -8.964 1.00 1.00 C ATOM 1486 CG ARG A 92 -15.471 3.663 -7.747 1.00 1.00 C ATOM 1487 CD ARG A 92 -15.699 4.635 -6.590 1.00 1.00 C ATOM 1488 NE ARG A 92 -16.031 3.947 -5.340 1.00 1.00 N ATOM 1489 CZ ARG A 92 -17.207 3.951 -4.711 1.00 1.00 C ATOM 1490 NH1 ARG A 92 -18.350 4.150 -5.361 1.00 1.00 N ATOM 1491 NH2 ARG A 92 -17.209 3.751 -3.402 1.00 1.00 N ATOM 0 H ARG A 92 -11.749 5.277 -9.815 1.00 1.00 H new ATOM 0 HA ARG A 92 -13.013 3.762 -8.157 1.00 1.00 H new ATOM 0 HB2 ARG A 92 -15.123 5.456 -8.891 1.00 1.00 H new ATOM 0 HB3 ARG A 92 -15.371 4.024 -9.869 1.00 1.00 H new ATOM 0 HG2 ARG A 92 -16.413 3.186 -8.019 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -14.791 2.871 -7.434 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -14.803 5.237 -6.443 1.00 1.00 H new ATOM 0 HD3 ARG A 92 -16.505 5.321 -6.849 1.00 1.00 H new ATOM 0 HE ARG A 92 -15.283 3.407 -4.904 1.00 1.00 H new ATOM 0 HH11 ARG A 92 -18.343 4.305 -6.369 1.00 1.00 H new ATOM 0 HH12 ARG A 92 -19.234 4.147 -4.851 1.00 1.00 H new ATOM 0 HH21 ARG A 92 -16.330 3.601 -2.908 1.00 1.00 H new ATOM 0 HH22 ARG A 92 -18.090 3.747 -2.888 1.00 1.00 H new ATOM 1505 N GLU A 93 -12.674 2.156 -10.166 1.00 1.00 N ATOM 1506 CA GLU A 93 -12.861 1.174 -11.203 1.00 1.00 C ATOM 1507 C GLU A 93 -14.319 0.716 -11.129 1.00 1.00 C ATOM 1508 O GLU A 93 -15.106 1.149 -10.274 1.00 1.00 O ATOM 1509 CB GLU A 93 -11.872 0.006 -11.049 1.00 1.00 C ATOM 1510 CG GLU A 93 -11.203 -0.384 -12.366 1.00 1.00 C ATOM 1511 CD GLU A 93 -11.890 -1.563 -13.045 1.00 1.00 C ATOM 1512 OE1 GLU A 93 -11.541 -2.730 -12.756 1.00 1.00 O ATOM 1513 OE2 GLU A 93 -12.779 -1.317 -13.887 1.00 1.00 O ATOM 0 H GLU A 93 -12.196 1.820 -9.330 1.00 1.00 H new ATOM 0 HA GLU A 93 -12.657 1.600 -12.185 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -11.105 0.279 -10.325 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -12.399 -0.859 -10.645 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -11.209 0.473 -13.040 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -10.159 -0.635 -12.179 1.00 1.00 H new ATOM 1520 N ALA A 94 -14.670 -0.203 -12.013 1.00 1.00 N ATOM 1521 CA ALA A 94 -15.974 -0.831 -12.041 1.00 1.00 C ATOM 1522 C ALA A 94 -16.038 -1.861 -10.924 1.00 1.00 C ATOM 1523 O ALA A 94 -15.528 -2.975 -11.052 1.00 1.00 O ATOM 1524 CB ALA A 94 -16.227 -1.474 -13.398 1.00 1.00 C ATOM 0 H ALA A 94 -14.042 -0.538 -12.744 1.00 1.00 H new ATOM 0 HA ALA A 94 -16.752 -0.083 -11.887 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -17.212 -1.941 -13.401 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -16.185 -0.711 -14.176 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -15.466 -2.230 -13.590 1.00 1.00 H new ATOM 1530 N GLY A 95 -16.640 -1.482 -9.804 1.00 1.00 N ATOM 1531 CA GLY A 95 -16.861 -2.379 -8.682 1.00 1.00 C ATOM 1532 C GLY A 95 -15.601 -2.763 -7.915 1.00 1.00 C ATOM 1533 O GLY A 95 -15.714 -3.438 -6.896 1.00 1.00 O ATOM 0 H GLY A 95 -16.990 -0.537 -9.650 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -17.561 -1.909 -7.991 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -17.337 -3.288 -9.050 1.00 1.00 H new ATOM 1537 N LYS A 96 -14.412 -2.294 -8.307 1.00 1.00 N ATOM 1538 CA LYS A 96 -13.223 -2.361 -7.475 1.00 1.00 C ATOM 1539 C LYS A 96 -12.513 -1.012 -7.495 1.00 1.00 C ATOM 1540 O LYS A 96 -12.946 -0.070 -8.160 1.00 1.00 O ATOM 1541 CB LYS A 96 -12.348 -3.553 -7.880 1.00 1.00 C ATOM 1542 CG LYS A 96 -12.014 -3.833 -9.343 1.00 1.00 C ATOM 1543 CD LYS A 96 -11.775 -5.337 -9.573 1.00 1.00 C ATOM 1544 CE LYS A 96 -10.662 -5.625 -10.583 1.00 1.00 C ATOM 1545 NZ LYS A 96 -11.022 -5.289 -11.975 1.00 1.00 N ATOM 0 H LYS A 96 -14.255 -1.857 -9.215 1.00 1.00 H new ATOM 0 HA LYS A 96 -13.490 -2.549 -6.435 1.00 1.00 H new ATOM 0 HB2 LYS A 96 -11.400 -3.444 -7.353 1.00 1.00 H new ATOM 0 HB3 LYS A 96 -12.830 -4.448 -7.487 1.00 1.00 H new ATOM 0 HG2 LYS A 96 -12.830 -3.489 -9.979 1.00 1.00 H new ATOM 0 HG3 LYS A 96 -11.126 -3.271 -9.632 1.00 1.00 H new ATOM 0 HD2 LYS A 96 -11.524 -5.808 -8.622 1.00 1.00 H new ATOM 0 HD3 LYS A 96 -12.700 -5.796 -9.922 1.00 1.00 H new ATOM 0 HE2 LYS A 96 -9.773 -5.061 -10.301 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -10.400 -6.682 -10.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -10.385 -5.788 -12.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 96 -12.004 -5.579 -12.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 96 -10.931 -4.263 -12.119 1.00 1.00 H new ATOM 1559 N VAL A 97 -11.422 -0.888 -6.755 1.00 1.00 N ATOM 1560 CA VAL A 97 -10.452 0.180 -6.945 1.00 1.00 C ATOM 1561 C VAL A 97 -9.080 -0.461 -6.960 1.00 1.00 C ATOM 1562 O VAL A 97 -8.895 -1.529 -6.380 1.00 1.00 O ATOM 1563 CB VAL A 97 -10.609 1.260 -5.857 1.00 1.00 C ATOM 1564 CG1 VAL A 97 -9.755 1.058 -4.608 1.00 1.00 C ATOM 1565 CG2 VAL A 97 -10.283 2.644 -6.387 1.00 1.00 C ATOM 0 H VAL A 97 -11.183 -1.531 -6.000 1.00 1.00 H new ATOM 0 HA VAL A 97 -10.609 0.701 -7.889 1.00 1.00 H new ATOM 0 HB VAL A 97 -11.657 1.166 -5.573 1.00 1.00 H new ATOM 0 HG11 VAL A 97 -9.939 1.871 -3.906 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -10.014 0.108 -4.140 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -8.701 1.050 -4.885 1.00 1.00 H new ATOM 0 HG21 VAL A 97 -10.406 3.377 -5.590 1.00 1.00 H new ATOM 0 HG22 VAL A 97 -9.253 2.664 -6.743 1.00 1.00 H new ATOM 0 HG23 VAL A 97 -10.956 2.886 -7.210 1.00 1.00 H new ATOM 1575 N TYR A 98 -8.114 0.203 -7.576 1.00 1.00 N ATOM 1576 CA TYR A 98 -6.732 -0.193 -7.554 1.00 1.00 C ATOM 1577 C TYR A 98 -6.077 0.608 -6.444 1.00 1.00 C ATOM 1578 O TYR A 98 -6.521 1.707 -6.110 1.00 1.00 O ATOM 1579 CB TYR A 98 -6.152 0.006 -8.956 1.00 1.00 C ATOM 1580 CG TYR A 98 -6.614 -1.109 -9.883 1.00 1.00 C ATOM 1581 CD1 TYR A 98 -7.973 -1.196 -10.244 1.00 1.00 C ATOM 1582 CD2 TYR A 98 -5.728 -2.129 -10.280 1.00 1.00 C ATOM 1583 CE1 TYR A 98 -8.468 -2.326 -10.907 1.00 1.00 C ATOM 1584 CE2 TYR A 98 -6.201 -3.231 -11.018 1.00 1.00 C ATOM 1585 CZ TYR A 98 -7.580 -3.344 -11.315 1.00 1.00 C ATOM 1586 OH TYR A 98 -8.061 -4.419 -11.995 1.00 1.00 O ATOM 0 H TYR A 98 -8.283 1.052 -8.116 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.562 -1.246 -7.328 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.466 0.971 -9.353 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.063 0.020 -8.908 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.641 -0.381 -10.007 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -4.682 -2.066 -10.018 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -9.526 -2.418 -11.105 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -5.511 -3.990 -11.357 1.00 1.00 H new ATOM 0 HH TYR A 98 -7.324 -5.030 -12.205 1.00 1.00 H new ATOM 1596 N LEU A 99 -5.088 0.015 -5.798 1.00 1.00 N ATOM 1597 CA LEU A 99 -4.396 0.587 -4.686 1.00 1.00 C ATOM 1598 C LEU A 99 -2.936 0.253 -4.876 1.00 1.00 C ATOM 1599 O LEU A 99 -2.580 -0.795 -5.432 1.00 1.00 O ATOM 1600 CB LEU A 99 -4.910 -0.063 -3.406 1.00 1.00 C ATOM 1601 CG LEU A 99 -6.284 0.388 -2.896 1.00 1.00 C ATOM 1602 CD1 LEU A 99 -6.496 -0.278 -1.535 1.00 1.00 C ATOM 1603 CD2 LEU A 99 -6.433 1.904 -2.734 1.00 1.00 C ATOM 0 H LEU A 99 -4.742 -0.910 -6.053 1.00 1.00 H new ATOM 0 HA LEU A 99 -4.546 1.665 -4.620 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -4.945 -1.141 -3.565 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -4.180 0.119 -2.617 1.00 1.00 H new ATOM 0 HG LEU A 99 -7.025 0.096 -3.640 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -7.466 0.016 -1.133 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -6.465 -1.361 -1.651 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -5.709 0.036 -0.850 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -7.434 2.134 -2.370 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -5.694 2.268 -2.020 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -6.277 2.390 -3.697 1.00 1.00 H new ATOM 1615 N LYS A 100 -2.086 1.120 -4.352 1.00 1.00 N ATOM 1616 CA LYS A 100 -0.654 0.984 -4.507 1.00 1.00 C ATOM 1617 C LYS A 100 -0.004 1.905 -3.506 1.00 1.00 C ATOM 1618 O LYS A 100 -0.397 3.065 -3.391 1.00 1.00 O ATOM 1619 CB LYS A 100 -0.216 1.369 -5.929 1.00 1.00 C ATOM 1620 CG LYS A 100 1.044 0.603 -6.346 1.00 1.00 C ATOM 1621 CD LYS A 100 2.064 1.494 -7.051 1.00 1.00 C ATOM 1622 CE LYS A 100 1.518 2.153 -8.326 1.00 1.00 C ATOM 1623 NZ LYS A 100 1.903 1.419 -9.545 1.00 1.00 N ATOM 0 H LYS A 100 -2.372 1.935 -3.809 1.00 1.00 H new ATOM 0 HA LYS A 100 -0.357 -0.051 -4.340 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -1.023 1.157 -6.631 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -0.026 2.441 -5.976 1.00 1.00 H new ATOM 0 HG2 LYS A 100 1.504 0.158 -5.463 1.00 1.00 H new ATOM 0 HG3 LYS A 100 0.764 -0.217 -7.007 1.00 1.00 H new ATOM 0 HD2 LYS A 100 2.395 2.271 -6.362 1.00 1.00 H new ATOM 0 HD3 LYS A 100 2.941 0.899 -7.305 1.00 1.00 H new ATOM 0 HE2 LYS A 100 0.431 2.209 -8.266 1.00 1.00 H new ATOM 0 HE3 LYS A 100 1.887 3.177 -8.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 1.570 1.938 -10.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 2.938 1.328 -9.583 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 1.473 0.472 -9.531 1.00 1.00 H new ATOM 1637 N ALA A 101 0.988 1.402 -2.796 1.00 1.00 N ATOM 1638 CA ALA A 101 1.675 2.183 -1.786 1.00 1.00 C ATOM 1639 C ALA A 101 3.130 1.721 -1.737 1.00 1.00 C ATOM 1640 O ALA A 101 3.361 0.517 -1.610 1.00 1.00 O ATOM 1641 CB ALA A 101 0.939 1.997 -0.455 1.00 1.00 C ATOM 0 H ALA A 101 1.338 0.450 -2.902 1.00 1.00 H new ATOM 0 HA ALA A 101 1.677 3.249 -2.012 1.00 1.00 H new ATOM 0 HB1 ALA A 101 1.439 2.576 0.321 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -0.091 2.340 -0.558 1.00 1.00 H new ATOM 0 HB3 ALA A 101 0.944 0.942 -0.181 1.00 1.00 H new ATOM 1647 N PRO A 102 4.112 2.628 -1.873 1.00 1.00 N ATOM 1648 CA PRO A 102 5.488 2.303 -1.575 1.00 1.00 C ATOM 1649 C PRO A 102 5.601 2.114 -0.069 1.00 1.00 C ATOM 1650 O PRO A 102 5.196 2.966 0.721 1.00 1.00 O ATOM 1651 CB PRO A 102 6.324 3.478 -2.057 1.00 1.00 C ATOM 1652 CG PRO A 102 5.372 4.668 -1.920 1.00 1.00 C ATOM 1653 CD PRO A 102 3.980 4.057 -2.097 1.00 1.00 C ATOM 0 HA PRO A 102 5.831 1.390 -2.062 1.00 1.00 H new ATOM 0 HB2 PRO A 102 7.221 3.609 -1.451 1.00 1.00 H new ATOM 0 HB3 PRO A 102 6.652 3.342 -3.087 1.00 1.00 H new ATOM 0 HG2 PRO A 102 5.475 5.150 -0.948 1.00 1.00 H new ATOM 0 HG3 PRO A 102 5.573 5.428 -2.676 1.00 1.00 H new ATOM 0 HD2 PRO A 102 3.274 4.494 -1.391 1.00 1.00 H new ATOM 0 HD3 PRO A 102 3.595 4.257 -3.097 1.00 1.00 H new ATOM 1661 N MET A 103 6.130 0.973 0.319 1.00 1.00 N ATOM 1662 CA MET A 103 6.438 0.653 1.694 1.00 1.00 C ATOM 1663 C MET A 103 7.900 0.968 1.917 1.00 1.00 C ATOM 1664 O MET A 103 8.670 1.020 0.963 1.00 1.00 O ATOM 1665 CB MET A 103 6.242 -0.841 1.941 1.00 1.00 C ATOM 1666 CG MET A 103 4.993 -1.420 1.273 1.00 1.00 C ATOM 1667 SD MET A 103 3.464 -0.716 1.918 1.00 1.00 S ATOM 1668 CE MET A 103 3.432 -1.575 3.503 1.00 1.00 C ATOM 0 H MET A 103 6.363 0.223 -0.332 1.00 1.00 H new ATOM 0 HA MET A 103 5.789 1.222 2.360 1.00 1.00 H new ATOM 0 HB2 MET A 103 7.118 -1.378 1.578 1.00 1.00 H new ATOM 0 HB3 MET A 103 6.183 -1.017 3.015 1.00 1.00 H new ATOM 0 HG2 MET A 103 5.045 -1.241 0.199 1.00 1.00 H new ATOM 0 HG3 MET A 103 4.978 -2.501 1.416 1.00 1.00 H new ATOM 0 HE1 MET A 103 2.512 -1.327 4.033 1.00 1.00 H new ATOM 0 HE2 MET A 103 3.474 -2.651 3.335 1.00 1.00 H new ATOM 0 HE3 MET A 103 4.290 -1.267 4.101 1.00 1.00 H new ATOM 1678 N ILE A 104 8.304 1.038 3.181 1.00 1.00 N ATOM 1679 CA ILE A 104 9.701 0.954 3.567 1.00 1.00 C ATOM 1680 C ILE A 104 9.707 -0.037 4.723 1.00 1.00 C ATOM 1681 O ILE A 104 9.616 0.328 5.896 1.00 1.00 O ATOM 1682 CB ILE A 104 10.331 2.343 3.822 1.00 1.00 C ATOM 1683 CG1 ILE A 104 10.200 3.194 2.531 1.00 1.00 C ATOM 1684 CG2 ILE A 104 11.814 2.152 4.202 1.00 1.00 C ATOM 1685 CD1 ILE A 104 10.666 4.644 2.579 1.00 1.00 C ATOM 0 H ILE A 104 7.665 1.155 3.968 1.00 1.00 H new ATOM 0 HA ILE A 104 10.360 0.589 2.779 1.00 1.00 H new ATOM 0 HB ILE A 104 9.821 2.857 4.637 1.00 1.00 H new ATOM 0 HG12 ILE A 104 10.757 2.690 1.741 1.00 1.00 H new ATOM 0 HG13 ILE A 104 9.151 3.190 2.234 1.00 1.00 H new ATOM 0 HG21 ILE A 104 12.271 3.125 4.385 1.00 1.00 H new ATOM 0 HG22 ILE A 104 11.883 1.543 5.104 1.00 1.00 H new ATOM 0 HG23 ILE A 104 12.337 1.653 3.386 1.00 1.00 H new ATOM 0 HD11 ILE A 104 10.512 5.108 1.605 1.00 1.00 H new ATOM 0 HD12 ILE A 104 10.095 5.185 3.333 1.00 1.00 H new ATOM 0 HD13 ILE A 104 11.725 4.677 2.833 1.00 1.00 H new ATOM 1697 N LEU A 105 9.710 -1.321 4.364 1.00 1.00 N ATOM 1698 CA LEU A 105 9.853 -2.429 5.299 1.00 1.00 C ATOM 1699 C LEU A 105 11.290 -2.891 5.197 1.00 1.00 C ATOM 1700 O LEU A 105 11.816 -3.007 4.095 1.00 1.00 O ATOM 1701 CB LEU A 105 8.940 -3.609 4.926 1.00 1.00 C ATOM 1702 CG LEU A 105 7.608 -3.730 5.680 1.00 1.00 C ATOM 1703 CD1 LEU A 105 7.764 -3.641 7.199 1.00 1.00 C ATOM 1704 CD2 LEU A 105 6.576 -2.717 5.192 1.00 1.00 C ATOM 0 H LEU A 105 9.611 -1.622 3.395 1.00 1.00 H new ATOM 0 HA LEU A 105 9.581 -2.100 6.302 1.00 1.00 H new ATOM 0 HB2 LEU A 105 8.720 -3.543 3.860 1.00 1.00 H new ATOM 0 HB3 LEU A 105 9.500 -4.531 5.079 1.00 1.00 H new ATOM 0 HG LEU A 105 7.241 -4.731 5.452 1.00 1.00 H new ATOM 0 HD11 LEU A 105 6.786 -3.734 7.671 1.00 1.00 H new ATOM 0 HD12 LEU A 105 8.412 -4.446 7.546 1.00 1.00 H new ATOM 0 HD13 LEU A 105 8.205 -2.680 7.464 1.00 1.00 H new ATOM 0 HD21 LEU A 105 5.650 -2.841 5.754 1.00 1.00 H new ATOM 0 HD22 LEU A 105 6.959 -1.707 5.341 1.00 1.00 H new ATOM 0 HD23 LEU A 105 6.381 -2.878 4.132 1.00 1.00 H new ATOM 1716 N ASN A 106 11.927 -3.137 6.335 1.00 1.00 N ATOM 1717 CA ASN A 106 13.296 -3.617 6.545 1.00 1.00 C ATOM 1718 C ASN A 106 14.340 -2.560 6.155 1.00 1.00 C ATOM 1719 O ASN A 106 15.450 -2.555 6.680 1.00 1.00 O ATOM 1720 CB ASN A 106 13.495 -4.965 5.826 1.00 1.00 C ATOM 1721 CG ASN A 106 14.640 -5.782 6.404 1.00 1.00 C ATOM 1722 OD1 ASN A 106 15.806 -5.435 6.260 1.00 1.00 O ATOM 1723 ND2 ASN A 106 14.337 -6.905 7.030 1.00 1.00 N ATOM 0 H ASN A 106 11.453 -2.992 7.227 1.00 1.00 H new ATOM 0 HA ASN A 106 13.450 -3.790 7.610 1.00 1.00 H new ATOM 0 HB2 ASN A 106 12.574 -5.544 5.890 1.00 1.00 H new ATOM 0 HB3 ASN A 106 13.684 -4.782 4.768 1.00 1.00 H new ATOM 0 HD21 ASN A 106 15.079 -7.498 7.402 1.00 1.00 H new ATOM 0 HD22 ASN A 106 13.361 -7.179 7.141 1.00 1.00 H new ATOM 1730 N GLY A 107 13.948 -1.607 5.312 1.00 1.00 N ATOM 1731 CA GLY A 107 14.802 -0.720 4.541 1.00 1.00 C ATOM 1732 C GLY A 107 14.753 -1.088 3.061 1.00 1.00 C ATOM 1733 O GLY A 107 15.776 -1.112 2.385 1.00 1.00 O ATOM 0 H GLY A 107 12.959 -1.426 5.142 1.00 1.00 H new ATOM 0 HA2 GLY A 107 14.481 0.313 4.676 1.00 1.00 H new ATOM 0 HA3 GLY A 107 15.827 -0.785 4.905 1.00 1.00 H new ATOM 1737 N VAL A 108 13.578 -1.439 2.563 1.00 1.00 N ATOM 1738 CA VAL A 108 13.336 -1.817 1.195 1.00 1.00 C ATOM 1739 C VAL A 108 12.123 -1.050 0.710 1.00 1.00 C ATOM 1740 O VAL A 108 11.028 -1.225 1.257 1.00 1.00 O ATOM 1741 CB VAL A 108 13.142 -3.336 1.044 1.00 1.00 C ATOM 1742 CG1 VAL A 108 13.177 -3.747 -0.433 1.00 1.00 C ATOM 1743 CG2 VAL A 108 14.212 -4.149 1.777 1.00 1.00 C ATOM 0 H VAL A 108 12.734 -1.467 3.134 1.00 1.00 H new ATOM 0 HA VAL A 108 14.205 -1.567 0.586 1.00 1.00 H new ATOM 0 HB VAL A 108 12.170 -3.552 1.487 1.00 1.00 H new ATOM 0 HG11 VAL A 108 13.038 -4.825 -0.514 1.00 1.00 H new ATOM 0 HG12 VAL A 108 12.379 -3.236 -0.972 1.00 1.00 H new ATOM 0 HG13 VAL A 108 14.139 -3.472 -0.864 1.00 1.00 H new ATOM 0 HG21 VAL A 108 14.022 -5.213 1.634 1.00 1.00 H new ATOM 0 HG22 VAL A 108 15.195 -3.899 1.379 1.00 1.00 H new ATOM 0 HG23 VAL A 108 14.181 -3.915 2.841 1.00 1.00 H new ATOM 1753 N CYS A 109 12.320 -0.236 -0.325 1.00 1.00 N ATOM 1754 CA CYS A 109 11.236 0.355 -1.082 1.00 1.00 C ATOM 1755 C CYS A 109 10.616 -0.729 -1.957 1.00 1.00 C ATOM 1756 O CYS A 109 10.892 -0.827 -3.154 1.00 1.00 O ATOM 1757 CB CYS A 109 11.738 1.543 -1.900 1.00 1.00 C ATOM 1758 SG CYS A 109 12.328 2.816 -0.756 1.00 1.00 S ATOM 0 H CYS A 109 13.247 0.030 -0.659 1.00 1.00 H new ATOM 0 HA CYS A 109 10.470 0.745 -0.412 1.00 1.00 H new ATOM 0 HB2 CYS A 109 12.541 1.231 -2.568 1.00 1.00 H new ATOM 0 HB3 CYS A 109 10.938 1.937 -2.526 1.00 1.00 H new ATOM 0 HG CYS A 109 11.517 3.832 -0.781 1.00 1.00 H new ATOM 1764 N VAL A 110 9.777 -1.564 -1.352 1.00 1.00 N ATOM 1765 CA VAL A 110 8.868 -2.403 -2.110 1.00 1.00 C ATOM 1766 C VAL A 110 7.641 -1.557 -2.428 1.00 1.00 C ATOM 1767 O VAL A 110 7.283 -0.634 -1.696 1.00 1.00 O ATOM 1768 CB VAL A 110 8.527 -3.709 -1.363 1.00 1.00 C ATOM 1769 CG1 VAL A 110 9.793 -4.539 -1.126 1.00 1.00 C ATOM 1770 CG2 VAL A 110 7.817 -3.484 -0.030 1.00 1.00 C ATOM 0 H VAL A 110 9.711 -1.674 -0.340 1.00 1.00 H new ATOM 0 HA VAL A 110 9.333 -2.737 -3.038 1.00 1.00 H new ATOM 0 HB VAL A 110 7.834 -4.247 -2.010 1.00 1.00 H new ATOM 0 HG11 VAL A 110 9.533 -5.456 -0.598 1.00 1.00 H new ATOM 0 HG12 VAL A 110 10.249 -4.789 -2.084 1.00 1.00 H new ATOM 0 HG13 VAL A 110 10.499 -3.963 -0.527 1.00 1.00 H new ATOM 0 HG21 VAL A 110 7.609 -4.446 0.438 1.00 1.00 H new ATOM 0 HG22 VAL A 110 8.454 -2.891 0.626 1.00 1.00 H new ATOM 0 HG23 VAL A 110 6.880 -2.954 -0.202 1.00 1.00 H new ATOM 1780 N ILE A 111 6.965 -1.905 -3.506 1.00 1.00 N ATOM 1781 CA ILE A 111 5.622 -1.459 -3.806 1.00 1.00 C ATOM 1782 C ILE A 111 4.732 -2.557 -3.259 1.00 1.00 C ATOM 1783 O ILE A 111 4.913 -3.722 -3.602 1.00 1.00 O ATOM 1784 CB ILE A 111 5.463 -1.268 -5.335 1.00 1.00 C ATOM 1785 CG1 ILE A 111 5.785 0.181 -5.736 1.00 1.00 C ATOM 1786 CG2 ILE A 111 4.054 -1.585 -5.857 1.00 1.00 C ATOM 1787 CD1 ILE A 111 6.227 0.274 -7.200 1.00 1.00 C ATOM 0 H ILE A 111 7.349 -2.526 -4.218 1.00 1.00 H new ATOM 0 HA ILE A 111 5.369 -0.496 -3.363 1.00 1.00 H new ATOM 0 HB ILE A 111 6.162 -1.975 -5.781 1.00 1.00 H new ATOM 0 HG12 ILE A 111 4.906 0.807 -5.580 1.00 1.00 H new ATOM 0 HG13 ILE A 111 6.573 0.571 -5.092 1.00 1.00 H new ATOM 0 HG21 ILE A 111 4.022 -1.428 -6.935 1.00 1.00 H new ATOM 0 HG22 ILE A 111 3.808 -2.623 -5.634 1.00 1.00 H new ATOM 0 HG23 ILE A 111 3.330 -0.929 -5.373 1.00 1.00 H new ATOM 0 HD11 ILE A 111 6.446 1.312 -7.449 1.00 1.00 H new ATOM 0 HD12 ILE A 111 7.121 -0.332 -7.349 1.00 1.00 H new ATOM 0 HD13 ILE A 111 5.429 -0.093 -7.845 1.00 1.00 H new ATOM 1799 N TRP A 112 3.780 -2.210 -2.410 1.00 1.00 N ATOM 1800 CA TRP A 112 2.627 -3.066 -2.214 1.00 1.00 C ATOM 1801 C TRP A 112 1.664 -2.600 -3.296 1.00 1.00 C ATOM 1802 O TRP A 112 1.450 -1.390 -3.437 1.00 1.00 O ATOM 1803 CB TRP A 112 2.056 -2.879 -0.811 1.00 1.00 C ATOM 1804 CG TRP A 112 0.796 -3.639 -0.493 1.00 1.00 C ATOM 1805 CD1 TRP A 112 0.706 -4.627 0.425 1.00 1.00 C ATOM 1806 CD2 TRP A 112 -0.577 -3.410 -0.961 1.00 1.00 C ATOM 1807 NE1 TRP A 112 -0.613 -5.002 0.574 1.00 1.00 N ATOM 1808 CE2 TRP A 112 -1.446 -4.286 -0.249 1.00 1.00 C ATOM 1809 CE3 TRP A 112 -1.205 -2.501 -1.842 1.00 1.00 C ATOM 1810 CZ2 TRP A 112 -2.839 -4.267 -0.407 1.00 1.00 C ATOM 1811 CZ3 TRP A 112 -2.592 -2.517 -2.059 1.00 1.00 C ATOM 1812 CH2 TRP A 112 -3.417 -3.390 -1.337 1.00 1.00 C ATOM 0 H TRP A 112 3.782 -1.355 -1.854 1.00 1.00 H new ATOM 0 HA TRP A 112 2.848 -4.131 -2.290 1.00 1.00 H new ATOM 0 HB2 TRP A 112 2.820 -3.168 -0.090 1.00 1.00 H new ATOM 0 HB3 TRP A 112 1.861 -1.817 -0.660 1.00 1.00 H new ATOM 0 HD1 TRP A 112 1.540 -5.057 0.960 1.00 1.00 H new ATOM 0 HE1 TRP A 112 -0.931 -5.725 1.219 1.00 1.00 H new ATOM 0 HE3 TRP A 112 -0.601 -1.773 -2.363 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 -3.462 -4.923 0.183 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 -3.027 -1.850 -2.789 1.00 1.00 H new ATOM 0 HH2 TRP A 112 -4.485 -3.388 -1.495 1.00 1.00 H new ATOM 1823 N LYS A 113 1.098 -3.511 -4.086 1.00 1.00 N ATOM 1824 CA LYS A 113 0.103 -3.172 -5.100 1.00 1.00 C ATOM 1825 C LYS A 113 -1.031 -4.180 -5.165 1.00 1.00 C ATOM 1826 O LYS A 113 -0.806 -5.370 -4.937 1.00 1.00 O ATOM 1827 CB LYS A 113 0.810 -3.057 -6.446 1.00 1.00 C ATOM 1828 CG LYS A 113 1.543 -4.311 -6.955 1.00 1.00 C ATOM 1829 CD LYS A 113 2.283 -4.015 -8.270 1.00 1.00 C ATOM 1830 CE LYS A 113 1.446 -4.286 -9.522 1.00 1.00 C ATOM 1831 NZ LYS A 113 1.295 -5.735 -9.766 1.00 1.00 N ATOM 0 H LYS A 113 1.317 -4.506 -4.040 1.00 1.00 H new ATOM 0 HA LYS A 113 -0.358 -2.222 -4.832 1.00 1.00 H new ATOM 0 HB2 LYS A 113 0.071 -2.768 -7.194 1.00 1.00 H new ATOM 0 HB3 LYS A 113 1.533 -2.244 -6.381 1.00 1.00 H new ATOM 0 HG2 LYS A 113 2.253 -4.653 -6.202 1.00 1.00 H new ATOM 0 HG3 LYS A 113 0.827 -5.119 -7.109 1.00 1.00 H new ATOM 0 HD2 LYS A 113 2.597 -2.971 -8.273 1.00 1.00 H new ATOM 0 HD3 LYS A 113 3.188 -4.620 -8.311 1.00 1.00 H new ATOM 0 HE2 LYS A 113 0.462 -3.830 -9.410 1.00 1.00 H new ATOM 0 HE3 LYS A 113 1.918 -3.817 -10.386 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 0.826 -5.886 -10.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 2.233 -6.184 -9.779 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 0.720 -6.156 -9.009 1.00 1.00 H new ATOM 1845 N GLY A 114 -2.221 -3.736 -5.562 1.00 1.00 N ATOM 1846 CA GLY A 114 -3.387 -4.595 -5.658 1.00 1.00 C ATOM 1847 C GLY A 114 -4.606 -3.857 -6.191 1.00 1.00 C ATOM 1848 O GLY A 114 -4.511 -2.706 -6.626 1.00 1.00 O ATOM 0 H GLY A 114 -2.399 -2.767 -5.826 1.00 1.00 H new ATOM 0 HA2 GLY A 114 -3.161 -5.438 -6.311 1.00 1.00 H new ATOM 0 HA3 GLY A 114 -3.615 -5.006 -4.674 1.00 1.00 H new ATOM 1852 N TRP A 115 -5.755 -4.524 -6.130 1.00 1.00 N ATOM 1853 CA TRP A 115 -7.073 -3.949 -6.274 1.00 1.00 C ATOM 1854 C TRP A 115 -7.927 -4.426 -5.093 1.00 1.00 C ATOM 1855 O TRP A 115 -8.025 -5.622 -4.828 1.00 1.00 O ATOM 1856 CB TRP A 115 -7.654 -4.266 -7.669 1.00 1.00 C ATOM 1857 CG TRP A 115 -8.005 -5.695 -7.969 1.00 1.00 C ATOM 1858 CD1 TRP A 115 -9.084 -6.330 -7.462 1.00 1.00 C ATOM 1859 CD2 TRP A 115 -7.310 -6.695 -8.787 1.00 1.00 C ATOM 1860 NE1 TRP A 115 -9.074 -7.648 -7.851 1.00 1.00 N ATOM 1861 CE2 TRP A 115 -8.039 -7.918 -8.707 1.00 1.00 C ATOM 1862 CE3 TRP A 115 -6.122 -6.729 -9.553 1.00 1.00 C ATOM 1863 CZ2 TRP A 115 -7.623 -9.101 -9.327 1.00 1.00 C ATOM 1864 CZ3 TRP A 115 -5.698 -7.918 -10.188 1.00 1.00 C ATOM 1865 CH2 TRP A 115 -6.444 -9.101 -10.083 1.00 1.00 C ATOM 0 H TRP A 115 -5.785 -5.531 -5.970 1.00 1.00 H new ATOM 0 HA TRP A 115 -7.048 -2.860 -6.234 1.00 1.00 H new ATOM 0 HB2 TRP A 115 -8.553 -3.664 -7.803 1.00 1.00 H new ATOM 0 HB3 TRP A 115 -6.934 -3.933 -8.416 1.00 1.00 H new ATOM 0 HD1 TRP A 115 -9.841 -5.871 -6.844 1.00 1.00 H new ATOM 0 HE1 TRP A 115 -9.755 -8.341 -7.540 1.00 1.00 H new ATOM 0 HE3 TRP A 115 -5.529 -5.832 -9.654 1.00 1.00 H new ATOM 0 HZ2 TRP A 115 -8.205 -10.005 -9.224 1.00 1.00 H new ATOM 0 HZ3 TRP A 115 -4.784 -7.916 -10.764 1.00 1.00 H new ATOM 0 HH2 TRP A 115 -6.113 -10.001 -10.579 1.00 1.00 H new ATOM 1876 N ILE A 116 -8.523 -3.498 -4.347 1.00 1.00 N ATOM 1877 CA ILE A 116 -9.523 -3.812 -3.336 1.00 1.00 C ATOM 1878 C ILE A 116 -10.871 -3.610 -4.023 1.00 1.00 C ATOM 1879 O ILE A 116 -11.226 -2.502 -4.432 1.00 1.00 O ATOM 1880 CB ILE A 116 -9.326 -2.971 -2.057 1.00 1.00 C ATOM 1881 CG1 ILE A 116 -8.196 -3.501 -1.144 1.00 1.00 C ATOM 1882 CG2 ILE A 116 -10.620 -2.885 -1.239 1.00 1.00 C ATOM 1883 CD1 ILE A 116 -8.513 -4.787 -0.363 1.00 1.00 C ATOM 0 H ILE A 116 -8.322 -2.501 -4.430 1.00 1.00 H new ATOM 0 HA ILE A 116 -9.444 -4.837 -2.974 1.00 1.00 H new ATOM 0 HB ILE A 116 -9.039 -1.980 -2.409 1.00 1.00 H new ATOM 0 HG12 ILE A 116 -7.313 -3.680 -1.757 1.00 1.00 H new ATOM 0 HG13 ILE A 116 -7.935 -2.720 -0.430 1.00 1.00 H new ATOM 0 HG21 ILE A 116 -10.446 -2.286 -0.345 1.00 1.00 H new ATOM 0 HG22 ILE A 116 -11.401 -2.421 -1.841 1.00 1.00 H new ATOM 0 HG23 ILE A 116 -10.934 -3.888 -0.948 1.00 1.00 H new ATOM 0 HD11 ILE A 116 -7.651 -5.066 0.243 1.00 1.00 H new ATOM 0 HD12 ILE A 116 -9.373 -4.616 0.285 1.00 1.00 H new ATOM 0 HD13 ILE A 116 -8.740 -5.591 -1.063 1.00 1.00 H new ATOM 1895 N ASP A 117 -11.587 -4.707 -4.204 1.00 1.00 N ATOM 1896 CA ASP A 117 -12.966 -4.768 -4.622 1.00 1.00 C ATOM 1897 C ASP A 117 -13.898 -4.067 -3.630 1.00 1.00 C ATOM 1898 O ASP A 117 -13.775 -4.202 -2.408 1.00 1.00 O ATOM 1899 CB ASP A 117 -13.325 -6.237 -4.840 1.00 1.00 C ATOM 1900 CG ASP A 117 -14.647 -6.389 -5.576 1.00 1.00 C ATOM 1901 OD1 ASP A 117 -15.694 -6.042 -4.993 1.00 1.00 O ATOM 1902 OD2 ASP A 117 -14.632 -6.900 -6.720 1.00 1.00 O ATOM 0 H ASP A 117 -11.190 -5.634 -4.052 1.00 1.00 H new ATOM 0 HA ASP A 117 -13.098 -4.225 -5.558 1.00 1.00 H new ATOM 0 HB2 ASP A 117 -12.533 -6.725 -5.409 1.00 1.00 H new ATOM 0 HB3 ASP A 117 -13.384 -6.744 -3.877 1.00 1.00 H new ATOM 1907 N LEU A 118 -14.838 -3.285 -4.163 1.00 1.00 N ATOM 1908 CA LEU A 118 -15.728 -2.435 -3.388 1.00 1.00 C ATOM 1909 C LEU A 118 -16.778 -3.259 -2.623 1.00 1.00 C ATOM 1910 O LEU A 118 -17.496 -2.690 -1.802 1.00 1.00 O ATOM 1911 CB LEU A 118 -16.419 -1.405 -4.305 1.00 1.00 C ATOM 1912 CG LEU A 118 -15.525 -0.582 -5.259 1.00 1.00 C ATOM 1913 CD1 LEU A 118 -16.378 0.204 -6.254 1.00 1.00 C ATOM 1914 CD2 LEU A 118 -14.466 0.333 -4.647 1.00 1.00 C ATOM 0 H LEU A 118 -15.001 -3.227 -5.168 1.00 1.00 H new ATOM 0 HA LEU A 118 -15.122 -1.907 -2.652 1.00 1.00 H new ATOM 0 HB2 LEU A 118 -17.156 -1.934 -4.909 1.00 1.00 H new ATOM 0 HB3 LEU A 118 -16.967 -0.707 -3.672 1.00 1.00 H new ATOM 0 HG LEU A 118 -14.934 -1.356 -5.748 1.00 1.00 H new ATOM 0 HD11 LEU A 118 -15.729 0.777 -6.917 1.00 1.00 H new ATOM 0 HD12 LEU A 118 -16.979 -0.488 -6.844 1.00 1.00 H new ATOM 0 HD13 LEU A 118 -17.035 0.884 -5.712 1.00 1.00 H new ATOM 0 HD21 LEU A 118 -13.921 0.842 -5.442 1.00 1.00 H new ATOM 0 HD22 LEU A 118 -14.949 1.072 -4.008 1.00 1.00 H new ATOM 0 HD23 LEU A 118 -13.771 -0.261 -4.054 1.00 1.00 H new ATOM 1926 N HIS A 119 -16.874 -4.581 -2.833 1.00 1.00 N ATOM 1927 CA HIS A 119 -17.972 -5.387 -2.303 1.00 1.00 C ATOM 1928 C HIS A 119 -17.969 -5.391 -0.780 1.00 1.00 C ATOM 1929 O HIS A 119 -19.023 -5.244 -0.158 1.00 1.00 O ATOM 1930 CB HIS A 119 -17.899 -6.839 -2.813 1.00 1.00 C ATOM 1931 CG HIS A 119 -16.788 -7.734 -2.300 1.00 1.00 C ATOM 1932 ND1 HIS A 119 -16.951 -9.055 -1.934 1.00 1.00 N ATOM 1933 CD2 HIS A 119 -15.455 -7.437 -2.170 1.00 1.00 C ATOM 1934 CE1 HIS A 119 -15.750 -9.543 -1.589 1.00 1.00 C ATOM 1935 NE2 HIS A 119 -14.818 -8.591 -1.730 1.00 1.00 N ATOM 0 H HIS A 119 -16.193 -5.115 -3.373 1.00 1.00 H new ATOM 0 HA HIS A 119 -18.897 -4.932 -2.657 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -18.848 -7.321 -2.577 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -17.821 -6.805 -3.900 1.00 1.00 H new ATOM 0 HD1 HIS A 119 -17.831 -9.570 -1.927 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -14.988 -6.484 -2.372 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -15.563 -10.551 -1.249 1.00 1.00 H new ATOM 1943 N ARG A 120 -16.790 -5.558 -0.183 1.00 1.00 N ATOM 1944 CA ARG A 120 -16.577 -5.636 1.245 1.00 1.00 C ATOM 1945 C ARG A 120 -15.258 -4.988 1.663 1.00 1.00 C ATOM 1946 O ARG A 120 -15.003 -4.844 2.858 1.00 1.00 O ATOM 1947 CB ARG A 120 -16.701 -7.107 1.672 1.00 1.00 C ATOM 1948 CG ARG A 120 -16.589 -7.232 3.194 1.00 1.00 C ATOM 1949 CD ARG A 120 -17.411 -8.352 3.822 1.00 1.00 C ATOM 1950 NE ARG A 120 -18.856 -8.132 3.660 1.00 1.00 N ATOM 1951 CZ ARG A 120 -19.823 -8.590 4.460 1.00 1.00 C ATOM 1952 NH1 ARG A 120 -19.556 -9.381 5.497 1.00 1.00 N ATOM 1953 NH2 ARG A 120 -21.072 -8.249 4.188 1.00 1.00 N ATOM 0 H ARG A 120 -15.923 -5.646 -0.714 1.00 1.00 H new ATOM 0 HA ARG A 120 -17.340 -5.060 1.769 1.00 1.00 H new ATOM 0 HB2 ARG A 120 -17.657 -7.510 1.337 1.00 1.00 H new ATOM 0 HB3 ARG A 120 -15.920 -7.698 1.194 1.00 1.00 H new ATOM 0 HG2 ARG A 120 -15.541 -7.385 3.453 1.00 1.00 H new ATOM 0 HG3 ARG A 120 -16.893 -6.286 3.642 1.00 1.00 H new ATOM 0 HD2 ARG A 120 -17.136 -9.303 3.366 1.00 1.00 H new ATOM 0 HD3 ARG A 120 -17.172 -8.426 4.883 1.00 1.00 H new ATOM 0 HE ARG A 120 -19.149 -7.575 2.858 1.00 1.00 H new ATOM 0 HH11 ARG A 120 -18.593 -9.652 5.697 1.00 1.00 H new ATOM 0 HH12 ARG A 120 -20.314 -9.716 6.091 1.00 1.00 H new ATOM 0 HH21 ARG A 120 -21.275 -7.652 3.386 1.00 1.00 H new ATOM 0 HH22 ARG A 120 -21.832 -8.583 4.780 1.00 1.00 H new ATOM 1967 N LEU A 121 -14.468 -4.509 0.700 1.00 1.00 N ATOM 1968 CA LEU A 121 -13.080 -4.135 0.889 1.00 1.00 C ATOM 1969 C LEU A 121 -12.225 -5.386 1.153 1.00 1.00 C ATOM 1970 O LEU A 121 -11.285 -5.347 1.954 1.00 1.00 O ATOM 1971 CB LEU A 121 -12.855 -2.993 1.906 1.00 1.00 C ATOM 1972 CG LEU A 121 -13.686 -1.702 1.790 1.00 1.00 C ATOM 1973 CD1 LEU A 121 -13.930 -1.232 0.357 1.00 1.00 C ATOM 1974 CD2 LEU A 121 -15.040 -1.689 2.496 1.00 1.00 C ATOM 0 H LEU A 121 -14.793 -4.370 -0.257 1.00 1.00 H new ATOM 0 HA LEU A 121 -12.738 -3.691 -0.046 1.00 1.00 H new ATOM 0 HB2 LEU A 121 -13.026 -3.403 2.901 1.00 1.00 H new ATOM 0 HB3 LEU A 121 -11.803 -2.711 1.853 1.00 1.00 H new ATOM 0 HG LEU A 121 -13.021 -1.017 2.315 1.00 1.00 H new ATOM 0 HD11 LEU A 121 -14.523 -0.317 0.370 1.00 1.00 H new ATOM 0 HD12 LEU A 121 -12.974 -1.038 -0.130 1.00 1.00 H new ATOM 0 HD13 LEU A 121 -14.467 -2.005 -0.193 1.00 1.00 H new ATOM 0 HD21 LEU A 121 -15.524 -0.725 2.338 1.00 1.00 H new ATOM 0 HD22 LEU A 121 -15.669 -2.482 2.091 1.00 1.00 H new ATOM 0 HD23 LEU A 121 -14.895 -1.851 3.564 1.00 1.00 H new ATOM 1986 N ASP A 122 -12.544 -6.479 0.455 1.00 1.00 N ATOM 1987 CA ASP A 122 -11.641 -7.604 0.217 1.00 1.00 C ATOM 1988 C ASP A 122 -11.123 -7.401 -1.220 1.00 1.00 C ATOM 1989 O ASP A 122 -11.546 -6.462 -1.901 1.00 1.00 O ATOM 1990 CB ASP A 122 -12.289 -9.007 0.377 1.00 1.00 C ATOM 1991 CG ASP A 122 -13.357 -9.261 1.461 1.00 1.00 C ATOM 1992 OD1 ASP A 122 -13.509 -8.519 2.455 1.00 1.00 O ATOM 1993 OD2 ASP A 122 -14.034 -10.313 1.375 1.00 1.00 O ATOM 0 H ASP A 122 -13.462 -6.608 0.029 1.00 1.00 H new ATOM 0 HA ASP A 122 -10.853 -7.602 0.970 1.00 1.00 H new ATOM 0 HB2 ASP A 122 -12.738 -9.265 -0.582 1.00 1.00 H new ATOM 0 HB3 ASP A 122 -11.480 -9.716 0.551 1.00 1.00 H new ATOM 1998 N GLY A 123 -10.219 -8.238 -1.729 1.00 1.00 N ATOM 1999 CA GLY A 123 -9.768 -8.147 -3.115 1.00 1.00 C ATOM 2000 C GLY A 123 -8.398 -8.799 -3.275 1.00 1.00 C ATOM 2001 O GLY A 123 -8.070 -9.696 -2.504 1.00 1.00 O ATOM 0 H GLY A 123 -9.783 -8.991 -1.197 1.00 1.00 H new ATOM 0 HA2 GLY A 123 -10.489 -8.636 -3.771 1.00 1.00 H new ATOM 0 HA3 GLY A 123 -9.718 -7.102 -3.419 1.00 1.00 H new ATOM 2005 N MET A 124 -7.597 -8.379 -4.257 1.00 1.00 N ATOM 2006 CA MET A 124 -6.305 -8.980 -4.594 1.00 1.00 C ATOM 2007 C MET A 124 -5.166 -7.986 -4.373 1.00 1.00 C ATOM 2008 O MET A 124 -5.322 -6.804 -4.657 1.00 1.00 O ATOM 2009 CB MET A 124 -6.316 -9.385 -6.068 1.00 1.00 C ATOM 2010 CG MET A 124 -7.128 -10.650 -6.356 1.00 1.00 C ATOM 2011 SD MET A 124 -6.419 -11.716 -7.644 1.00 1.00 S ATOM 2012 CE MET A 124 -4.884 -12.257 -6.850 1.00 1.00 C ATOM 0 H MET A 124 -7.836 -7.589 -4.856 1.00 1.00 H new ATOM 0 HA MET A 124 -6.148 -9.847 -3.952 1.00 1.00 H new ATOM 0 HB2 MET A 124 -6.721 -8.563 -6.658 1.00 1.00 H new ATOM 0 HB3 MET A 124 -5.289 -9.540 -6.400 1.00 1.00 H new ATOM 0 HG2 MET A 124 -7.221 -11.226 -5.435 1.00 1.00 H new ATOM 0 HG3 MET A 124 -8.136 -10.361 -6.654 1.00 1.00 H new ATOM 0 HE1 MET A 124 -4.420 -13.039 -7.451 1.00 1.00 H new ATOM 0 HE2 MET A 124 -4.201 -11.412 -6.765 1.00 1.00 H new ATOM 0 HE3 MET A 124 -5.106 -12.646 -5.856 1.00 1.00 H new ATOM 2022 N GLY A 125 -3.993 -8.430 -3.927 1.00 1.00 N ATOM 2023 CA GLY A 125 -2.811 -7.598 -3.786 1.00 1.00 C ATOM 2024 C GLY A 125 -1.571 -8.447 -3.590 1.00 1.00 C ATOM 2025 O GLY A 125 -1.650 -9.677 -3.613 1.00 1.00 O ATOM 0 H GLY A 125 -3.840 -9.399 -3.649 1.00 1.00 H new ATOM 0 HA2 GLY A 125 -2.693 -6.974 -4.672 1.00 1.00 H new ATOM 0 HA3 GLY A 125 -2.934 -6.926 -2.937 1.00 1.00 H new ATOM 2029 N CYS A 126 -0.417 -7.787 -3.484 1.00 1.00 N ATOM 2030 CA CYS A 126 0.901 -8.414 -3.491 1.00 1.00 C ATOM 2031 C CYS A 126 1.999 -7.371 -3.362 1.00 1.00 C ATOM 2032 O CYS A 126 1.710 -6.178 -3.237 1.00 1.00 O ATOM 2033 CB CYS A 126 1.082 -9.132 -4.829 1.00 1.00 C ATOM 2034 SG CYS A 126 0.719 -8.007 -6.220 1.00 1.00 S ATOM 0 H CYS A 126 -0.375 -6.772 -3.388 1.00 1.00 H new ATOM 0 HA CYS A 126 0.968 -9.105 -2.651 1.00 1.00 H new ATOM 0 HB2 CYS A 126 2.103 -9.504 -4.913 1.00 1.00 H new ATOM 0 HB3 CYS A 126 0.423 -9.999 -4.874 1.00 1.00 H new ATOM 0 HG CYS A 126 0.114 -6.946 -5.774 1.00 1.00 H new ATOM 2040 N LEU A 127 3.252 -7.816 -3.464 1.00 1.00 N ATOM 2041 CA LEU A 127 4.408 -6.941 -3.497 1.00 1.00 C ATOM 2042 C LEU A 127 5.070 -6.913 -4.865 1.00 1.00 C ATOM 2043 O LEU A 127 4.882 -7.788 -5.710 1.00 1.00 O ATOM 2044 CB LEU A 127 5.432 -7.377 -2.452 1.00 1.00 C ATOM 2045 CG LEU A 127 4.877 -7.377 -1.025 1.00 1.00 C ATOM 2046 CD1 LEU A 127 6.026 -7.794 -0.125 1.00 1.00 C ATOM 2047 CD2 LEU A 127 4.317 -6.020 -0.576 1.00 1.00 C ATOM 0 H LEU A 127 3.488 -8.806 -3.526 1.00 1.00 H new ATOM 0 HA LEU A 127 4.051 -5.935 -3.274 1.00 1.00 H new ATOM 0 HB2 LEU A 127 5.787 -8.378 -2.697 1.00 1.00 H new ATOM 0 HB3 LEU A 127 6.295 -6.712 -2.499 1.00 1.00 H new ATOM 0 HG LEU A 127 4.030 -8.061 -0.973 1.00 1.00 H new ATOM 0 HD11 LEU A 127 5.688 -7.812 0.911 1.00 1.00 H new ATOM 0 HD12 LEU A 127 6.371 -8.787 -0.412 1.00 1.00 H new ATOM 0 HD13 LEU A 127 6.845 -7.082 -0.227 1.00 1.00 H new ATOM 0 HD21 LEU A 127 3.943 -6.100 0.445 1.00 1.00 H new ATOM 0 HD22 LEU A 127 5.107 -5.270 -0.615 1.00 1.00 H new ATOM 0 HD23 LEU A 127 3.503 -5.725 -1.238 1.00 1.00 H new ATOM 2059 N GLU A 128 5.879 -5.882 -5.042 1.00 1.00 N ATOM 2060 CA GLU A 128 6.728 -5.541 -6.173 1.00 1.00 C ATOM 2061 C GLU A 128 7.893 -4.693 -5.630 1.00 1.00 C ATOM 2062 O GLU A 128 7.936 -4.391 -4.438 1.00 1.00 O ATOM 2063 CB GLU A 128 5.830 -4.762 -7.141 1.00 1.00 C ATOM 2064 CG GLU A 128 6.418 -4.201 -8.430 1.00 1.00 C ATOM 2065 CD GLU A 128 7.032 -5.279 -9.308 1.00 1.00 C ATOM 2066 OE1 GLU A 128 8.148 -5.743 -8.995 1.00 1.00 O ATOM 2067 OE2 GLU A 128 6.376 -5.626 -10.321 1.00 1.00 O ATOM 0 H GLU A 128 5.967 -5.179 -4.308 1.00 1.00 H new ATOM 0 HA GLU A 128 7.157 -6.398 -6.692 1.00 1.00 H new ATOM 0 HB2 GLU A 128 5.004 -5.417 -7.418 1.00 1.00 H new ATOM 0 HB3 GLU A 128 5.402 -3.926 -6.587 1.00 1.00 H new ATOM 0 HG2 GLU A 128 5.636 -3.685 -8.987 1.00 1.00 H new ATOM 0 HG3 GLU A 128 7.178 -3.459 -8.186 1.00 1.00 H new ATOM 2074 N PHE A 129 8.828 -4.278 -6.479 1.00 1.00 N ATOM 2075 CA PHE A 129 9.927 -3.378 -6.122 1.00 1.00 C ATOM 2076 C PHE A 129 9.631 -1.980 -6.662 1.00 1.00 C ATOM 2077 O PHE A 129 9.220 -1.856 -7.821 1.00 1.00 O ATOM 2078 CB PHE A 129 11.234 -3.900 -6.722 1.00 1.00 C ATOM 2079 CG PHE A 129 12.472 -3.190 -6.211 1.00 1.00 C ATOM 2080 CD1 PHE A 129 12.954 -3.483 -4.923 1.00 1.00 C ATOM 2081 CD2 PHE A 129 13.150 -2.248 -7.009 1.00 1.00 C ATOM 2082 CE1 PHE A 129 14.101 -2.841 -4.430 1.00 1.00 C ATOM 2083 CE2 PHE A 129 14.316 -1.626 -6.521 1.00 1.00 C ATOM 2084 CZ PHE A 129 14.796 -1.927 -5.236 1.00 1.00 C ATOM 0 H PHE A 129 8.846 -4.563 -7.458 1.00 1.00 H new ATOM 0 HA PHE A 129 10.025 -3.334 -5.037 1.00 1.00 H new ATOM 0 HB2 PHE A 129 11.322 -4.965 -6.505 1.00 1.00 H new ATOM 0 HB3 PHE A 129 11.191 -3.798 -7.806 1.00 1.00 H new ATOM 0 HD1 PHE A 129 12.438 -4.207 -4.309 1.00 1.00 H new ATOM 0 HD2 PHE A 129 12.777 -2.003 -7.993 1.00 1.00 H new ATOM 0 HE1 PHE A 129 14.449 -3.051 -3.429 1.00 1.00 H new ATOM 0 HE2 PHE A 129 14.844 -0.914 -7.138 1.00 1.00 H new ATOM 0 HZ PHE A 129 15.697 -1.457 -4.870 1.00 1.00 H new ATOM 2094 N ASP A 130 9.863 -0.938 -5.862 1.00 1.00 N ATOM 2095 CA ASP A 130 9.770 0.447 -6.313 1.00 1.00 C ATOM 2096 C ASP A 130 11.134 0.889 -6.818 1.00 1.00 C ATOM 2097 O ASP A 130 11.957 1.393 -6.059 1.00 1.00 O ATOM 2098 CB ASP A 130 9.286 1.391 -5.207 1.00 1.00 C ATOM 2099 CG ASP A 130 8.740 2.682 -5.826 1.00 1.00 C ATOM 2100 OD1 ASP A 130 9.336 3.227 -6.789 1.00 1.00 O ATOM 2101 OD2 ASP A 130 7.680 3.156 -5.364 1.00 1.00 O ATOM 0 H ASP A 130 10.121 -1.034 -4.880 1.00 1.00 H new ATOM 0 HA ASP A 130 9.031 0.495 -7.113 1.00 1.00 H new ATOM 0 HB2 ASP A 130 8.510 0.905 -4.615 1.00 1.00 H new ATOM 0 HB3 ASP A 130 10.107 1.622 -4.528 1.00 1.00 H new ATOM 2106 N GLU A 131 11.413 0.674 -8.099 1.00 1.00 N ATOM 2107 CA GLU A 131 12.710 0.924 -8.682 1.00 1.00 C ATOM 2108 C GLU A 131 13.160 2.381 -8.545 1.00 1.00 C ATOM 2109 O GLU A 131 14.360 2.654 -8.503 1.00 1.00 O ATOM 2110 CB GLU A 131 12.582 0.502 -10.150 1.00 1.00 C ATOM 2111 CG GLU A 131 13.950 0.440 -10.799 1.00 1.00 C ATOM 2112 CD GLU A 131 13.882 0.017 -12.256 1.00 1.00 C ATOM 2113 OE1 GLU A 131 13.687 -1.195 -12.498 1.00 1.00 O ATOM 2114 OE2 GLU A 131 14.090 0.869 -13.154 1.00 1.00 O ATOM 0 H GLU A 131 10.728 0.316 -8.765 1.00 1.00 H new ATOM 0 HA GLU A 131 13.483 0.359 -8.160 1.00 1.00 H new ATOM 0 HB2 GLU A 131 12.096 -0.472 -10.215 1.00 1.00 H new ATOM 0 HB3 GLU A 131 11.949 1.210 -10.685 1.00 1.00 H new ATOM 0 HG2 GLU A 131 14.427 1.418 -10.729 1.00 1.00 H new ATOM 0 HG3 GLU A 131 14.578 -0.261 -10.249 1.00 1.00 H new ATOM 2121 N GLU A 132 12.217 3.316 -8.472 1.00 1.00 N ATOM 2122 CA GLU A 132 12.492 4.740 -8.449 1.00 1.00 C ATOM 2123 C GLU A 132 12.557 5.231 -7.017 1.00 1.00 C ATOM 2124 O GLU A 132 13.509 5.914 -6.651 1.00 1.00 O ATOM 2125 CB GLU A 132 11.377 5.440 -9.231 1.00 1.00 C ATOM 2126 CG GLU A 132 11.704 6.878 -9.609 1.00 1.00 C ATOM 2127 CD GLU A 132 11.243 7.187 -11.033 1.00 1.00 C ATOM 2128 OE1 GLU A 132 10.024 7.357 -11.267 1.00 1.00 O ATOM 2129 OE2 GLU A 132 12.111 7.295 -11.932 1.00 1.00 O ATOM 0 H GLU A 132 11.222 3.095 -8.426 1.00 1.00 H new ATOM 0 HA GLU A 132 13.455 4.961 -8.910 1.00 1.00 H new ATOM 0 HB2 GLU A 132 11.171 4.873 -10.139 1.00 1.00 H new ATOM 0 HB3 GLU A 132 10.465 5.429 -8.634 1.00 1.00 H new ATOM 0 HG2 GLU A 132 11.221 7.561 -8.910 1.00 1.00 H new ATOM 0 HG3 GLU A 132 12.778 7.045 -9.526 1.00 1.00 H new ATOM 2136 N ARG A 133 11.595 4.866 -6.173 1.00 1.00 N ATOM 2137 CA ARG A 133 11.668 5.241 -4.780 1.00 1.00 C ATOM 2138 C ARG A 133 12.856 4.582 -4.115 1.00 1.00 C ATOM 2139 O ARG A 133 13.453 5.235 -3.277 1.00 1.00 O ATOM 2140 CB ARG A 133 10.383 4.838 -4.085 1.00 1.00 C ATOM 2141 CG ARG A 133 10.176 5.535 -2.744 1.00 1.00 C ATOM 2142 CD ARG A 133 9.762 7.001 -2.909 1.00 1.00 C ATOM 2143 NE ARG A 133 8.442 7.099 -3.557 1.00 1.00 N ATOM 2144 CZ ARG A 133 8.143 7.704 -4.714 1.00 1.00 C ATOM 2145 NH1 ARG A 133 9.043 8.394 -5.409 1.00 1.00 N ATOM 2146 NH2 ARG A 133 6.900 7.633 -5.168 1.00 1.00 N ATOM 0 H ARG A 133 10.773 4.320 -6.431 1.00 1.00 H new ATOM 0 HA ARG A 133 11.795 6.321 -4.706 1.00 1.00 H new ATOM 0 HB2 ARG A 133 9.539 5.064 -4.737 1.00 1.00 H new ATOM 0 HB3 ARG A 133 10.386 3.759 -3.929 1.00 1.00 H new ATOM 0 HG2 ARG A 133 9.411 5.005 -2.176 1.00 1.00 H new ATOM 0 HG3 ARG A 133 11.097 5.483 -2.164 1.00 1.00 H new ATOM 0 HD2 ARG A 133 9.731 7.487 -1.934 1.00 1.00 H new ATOM 0 HD3 ARG A 133 10.506 7.529 -3.505 1.00 1.00 H new ATOM 0 HE ARG A 133 7.666 6.654 -3.067 1.00 1.00 H new ATOM 0 HH11 ARG A 133 10.000 8.476 -5.065 1.00 1.00 H new ATOM 0 HH12 ARG A 133 8.777 8.841 -6.286 1.00 1.00 H new ATOM 0 HH21 ARG A 133 6.192 7.125 -4.638 1.00 1.00 H new ATOM 0 HH22 ARG A 133 6.651 8.087 -6.047 1.00 1.00 H new ATOM 2160 N ALA A 134 13.233 3.351 -4.476 1.00 1.00 N ATOM 2161 CA ALA A 134 14.448 2.734 -3.963 1.00 1.00 C ATOM 2162 C ALA A 134 15.635 3.657 -4.212 1.00 1.00 C ATOM 2163 O ALA A 134 16.427 3.844 -3.300 1.00 1.00 O ATOM 2164 CB ALA A 134 14.665 1.355 -4.607 1.00 1.00 C ATOM 0 H ALA A 134 12.708 2.765 -5.125 1.00 1.00 H new ATOM 0 HA ALA A 134 14.350 2.582 -2.888 1.00 1.00 H new ATOM 0 HB1 ALA A 134 15.578 0.908 -4.212 1.00 1.00 H new ATOM 0 HB2 ALA A 134 13.817 0.709 -4.379 1.00 1.00 H new ATOM 0 HB3 ALA A 134 14.755 1.468 -5.687 1.00 1.00 H new ATOM 2170 N GLN A 135 15.725 4.279 -5.392 1.00 1.00 N ATOM 2171 CA GLN A 135 16.748 5.258 -5.711 1.00 1.00 C ATOM 2172 C GLN A 135 16.617 6.546 -4.888 1.00 1.00 C ATOM 2173 O GLN A 135 17.648 7.041 -4.432 1.00 1.00 O ATOM 2174 CB GLN A 135 16.716 5.539 -7.219 1.00 1.00 C ATOM 2175 CG GLN A 135 17.176 4.308 -8.001 1.00 1.00 C ATOM 2176 CD GLN A 135 17.154 4.598 -9.495 1.00 1.00 C ATOM 2177 OE1 GLN A 135 18.094 5.191 -10.020 1.00 1.00 O ATOM 2178 NE2 GLN A 135 16.090 4.226 -10.186 1.00 1.00 N ATOM 0 H GLN A 135 15.075 4.108 -6.159 1.00 1.00 H new ATOM 0 HA GLN A 135 17.718 4.841 -5.440 1.00 1.00 H new ATOM 0 HB2 GLN A 135 15.706 5.814 -7.523 1.00 1.00 H new ATOM 0 HB3 GLN A 135 17.361 6.387 -7.451 1.00 1.00 H new ATOM 0 HG2 GLN A 135 18.183 4.027 -7.692 1.00 1.00 H new ATOM 0 HG3 GLN A 135 16.526 3.462 -7.777 1.00 1.00 H new ATOM 0 HE21 GLN A 135 15.326 3.735 -9.721 1.00 1.00 H new ATOM 0 HE22 GLN A 135 16.033 4.430 -11.184 1.00 1.00 H new ATOM 2187 N GLN A 136 15.408 7.092 -4.657 1.00 1.00 N ATOM 2188 CA GLN A 136 15.326 8.286 -3.801 1.00 1.00 C ATOM 2189 C GLN A 136 15.769 7.928 -2.391 1.00 1.00 C ATOM 2190 O GLN A 136 16.523 8.663 -1.758 1.00 1.00 O ATOM 2191 CB GLN A 136 13.912 8.892 -3.711 1.00 1.00 C ATOM 2192 CG GLN A 136 13.533 9.807 -4.878 1.00 1.00 C ATOM 2193 CD GLN A 136 13.046 9.016 -6.077 1.00 1.00 C ATOM 2194 OE1 GLN A 136 11.880 8.611 -6.119 1.00 1.00 O ATOM 2195 NE2 GLN A 136 13.892 8.811 -7.069 1.00 1.00 N ATOM 0 H GLN A 136 14.522 6.749 -5.028 1.00 1.00 H new ATOM 0 HA GLN A 136 15.976 9.030 -4.261 1.00 1.00 H new ATOM 0 HB2 GLN A 136 13.187 8.080 -3.653 1.00 1.00 H new ATOM 0 HB3 GLN A 136 13.832 9.458 -2.783 1.00 1.00 H new ATOM 0 HG2 GLN A 136 12.755 10.500 -4.559 1.00 1.00 H new ATOM 0 HG3 GLN A 136 14.396 10.407 -5.165 1.00 1.00 H new ATOM 0 HE21 GLN A 136 14.849 9.159 -7.003 1.00 1.00 H new ATOM 0 HE22 GLN A 136 13.589 8.305 -7.901 1.00 1.00 H new ATOM 2204 N GLU A 137 15.265 6.811 -1.885 1.00 1.00 N ATOM 2205 CA GLU A 137 15.476 6.406 -0.522 1.00 1.00 C ATOM 2206 C GLU A 137 16.937 6.014 -0.310 1.00 1.00 C ATOM 2207 O GLU A 137 17.489 6.264 0.758 1.00 1.00 O ATOM 2208 CB GLU A 137 14.490 5.289 -0.167 1.00 1.00 C ATOM 2209 CG GLU A 137 13.915 5.523 1.235 1.00 1.00 C ATOM 2210 CD GLU A 137 12.888 6.675 1.295 1.00 1.00 C ATOM 2211 OE1 GLU A 137 12.037 6.814 0.386 1.00 1.00 O ATOM 2212 OE2 GLU A 137 12.882 7.446 2.285 1.00 1.00 O ATOM 0 H GLU A 137 14.693 6.160 -2.424 1.00 1.00 H new ATOM 0 HA GLU A 137 15.281 7.235 0.158 1.00 1.00 H new ATOM 0 HB2 GLU A 137 13.683 5.258 -0.899 1.00 1.00 H new ATOM 0 HB3 GLU A 137 14.993 4.323 -0.206 1.00 1.00 H new ATOM 0 HG2 GLU A 137 13.440 4.605 1.582 1.00 1.00 H new ATOM 0 HG3 GLU A 137 14.732 5.739 1.923 1.00 1.00 H new ATOM 2219 N ASP A 138 17.586 5.454 -1.336 1.00 1.00 N ATOM 2220 CA ASP A 138 18.997 5.079 -1.321 1.00 1.00 C ATOM 2221 C ASP A 138 19.864 6.297 -1.100 1.00 1.00 C ATOM 2222 O ASP A 138 20.903 6.175 -0.449 1.00 1.00 O ATOM 2223 CB ASP A 138 19.438 4.431 -2.643 1.00 1.00 C ATOM 2224 CG ASP A 138 19.508 2.904 -2.623 1.00 1.00 C ATOM 2225 OD1 ASP A 138 19.468 2.284 -1.536 1.00 1.00 O ATOM 2226 OD2 ASP A 138 19.722 2.301 -3.696 1.00 1.00 O ATOM 0 H ASP A 138 17.128 5.245 -2.223 1.00 1.00 H new ATOM 0 HA ASP A 138 19.116 4.361 -0.510 1.00 1.00 H new ATOM 0 HB2 ASP A 138 18.747 4.738 -3.429 1.00 1.00 H new ATOM 0 HB3 ASP A 138 20.420 4.821 -2.912 1.00 1.00 H new ATOM 2231 N ALA A 139 19.468 7.453 -1.643 1.00 1.00 N ATOM 2232 CA ALA A 139 20.026 8.707 -1.170 1.00 1.00 C ATOM 2233 C ALA A 139 19.585 8.930 0.276 1.00 1.00 C ATOM 2234 O ALA A 139 20.438 9.052 1.144 1.00 1.00 O ATOM 2235 CB ALA A 139 19.658 9.889 -2.069 1.00 1.00 C ATOM 0 H ALA A 139 18.780 7.539 -2.391 1.00 1.00 H new ATOM 0 HA ALA A 139 21.113 8.642 -1.209 1.00 1.00 H new ATOM 0 HB1 ALA A 139 20.101 10.802 -1.670 1.00 1.00 H new ATOM 0 HB2 ALA A 139 20.037 9.712 -3.076 1.00 1.00 H new ATOM 0 HB3 ALA A 139 18.574 9.996 -2.103 1.00 1.00 H new ATOM 2241 N LEU A 140 18.279 8.998 0.562 1.00 1.00 N ATOM 2242 CA LEU A 140 17.725 9.418 1.858 1.00 1.00 C ATOM 2243 C LEU A 140 18.184 8.640 3.090 1.00 1.00 C ATOM 2244 O LEU A 140 18.014 9.146 4.201 1.00 1.00 O ATOM 2245 CB LEU A 140 16.197 9.508 1.830 1.00 1.00 C ATOM 2246 CG LEU A 140 15.690 10.657 0.942 1.00 1.00 C ATOM 2247 CD1 LEU A 140 14.162 10.690 0.937 1.00 1.00 C ATOM 2248 CD2 LEU A 140 16.252 11.984 1.464 1.00 1.00 C ATOM 0 H LEU A 140 17.558 8.756 -0.118 1.00 1.00 H new ATOM 0 HA LEU A 140 18.158 10.411 1.983 1.00 1.00 H new ATOM 0 HB2 LEU A 140 15.787 8.565 1.467 1.00 1.00 H new ATOM 0 HB3 LEU A 140 15.826 9.647 2.845 1.00 1.00 H new ATOM 0 HG LEU A 140 16.030 10.500 -0.082 1.00 1.00 H new ATOM 0 HD11 LEU A 140 13.818 11.508 0.304 1.00 1.00 H new ATOM 0 HD12 LEU A 140 13.779 9.746 0.550 1.00 1.00 H new ATOM 0 HD13 LEU A 140 13.798 10.839 1.953 1.00 1.00 H new ATOM 0 HD21 LEU A 140 15.895 12.802 0.838 1.00 1.00 H new ATOM 0 HD22 LEU A 140 15.920 12.141 2.490 1.00 1.00 H new ATOM 0 HD23 LEU A 140 17.341 11.954 1.436 1.00 1.00 H new ATOM 2260 N ALA A 141 18.880 7.528 2.934 1.00 1.00 N ATOM 2261 CA ALA A 141 19.732 6.946 3.961 1.00 1.00 C ATOM 2262 C ALA A 141 21.210 7.280 3.702 1.00 1.00 C ATOM 2263 O ALA A 141 21.897 6.539 3.000 1.00 1.00 O ATOM 2264 CB ALA A 141 19.528 5.445 3.964 1.00 1.00 C ATOM 0 H ALA A 141 18.869 6.989 2.068 1.00 1.00 H new ATOM 0 HA ALA A 141 19.463 7.362 4.932 1.00 1.00 H new ATOM 0 HB1 ALA A 141 20.160 4.993 4.729 1.00 1.00 H new ATOM 0 HB2 ALA A 141 18.483 5.220 4.178 1.00 1.00 H new ATOM 0 HB3 ALA A 141 19.794 5.040 2.988 1.00 1.00 H new ATOM 2270 N GLN A 142 21.726 8.338 4.333 1.00 1.00 N ATOM 2271 CA GLN A 142 23.119 8.775 4.260 1.00 1.00 C ATOM 2272 C GLN A 142 23.504 9.175 2.826 1.00 1.00 C ATOM 2273 O GLN A 142 24.183 8.444 2.100 1.00 1.00 O ATOM 2274 CB GLN A 142 24.057 7.738 4.901 1.00 1.00 C ATOM 2275 CG GLN A 142 25.443 8.349 5.119 1.00 1.00 C ATOM 2276 CD GLN A 142 26.507 7.300 5.435 1.00 1.00 C ATOM 2277 OE1 GLN A 142 27.135 7.343 6.496 1.00 1.00 O ATOM 2278 NE2 GLN A 142 26.758 6.361 4.536 1.00 1.00 N ATOM 0 H GLN A 142 21.159 8.937 4.933 1.00 1.00 H new ATOM 0 HA GLN A 142 23.237 9.682 4.853 1.00 1.00 H new ATOM 0 HB2 GLN A 142 23.645 7.402 5.853 1.00 1.00 H new ATOM 0 HB3 GLN A 142 24.134 6.860 4.260 1.00 1.00 H new ATOM 0 HG2 GLN A 142 25.737 8.901 4.226 1.00 1.00 H new ATOM 0 HG3 GLN A 142 25.394 9.068 5.936 1.00 1.00 H new ATOM 0 HE21 GLN A 142 26.231 6.337 3.663 1.00 1.00 H new ATOM 0 HE22 GLN A 142 27.478 5.662 4.717 1.00 1.00 H new ATOM 2287 N GLN A 143 23.049 10.371 2.461 1.00 1.00 N ATOM 2288 CA GLN A 143 22.865 10.889 1.137 1.00 1.00 C ATOM 2289 C GLN A 143 24.193 11.024 0.413 1.00 1.00 C ATOM 2290 O GLN A 143 25.210 11.337 1.071 1.00 1.00 O ATOM 2291 CB GLN A 143 22.162 12.254 1.277 1.00 1.00 C ATOM 2292 CG GLN A 143 21.516 12.732 2.605 1.00 1.00 C ATOM 2293 CD GLN A 143 20.344 11.990 3.270 1.00 1.00 C ATOM 2294 OE1 GLN A 143 20.274 10.671 3.276 1.00 1.00 O flip ATOM 2295 NE2 GLN A 143 19.508 12.626 3.907 1.00 1.00 N flip ATOM 0 H GLN A 143 22.778 11.057 3.165 1.00 1.00 H new ATOM 0 HA GLN A 143 22.258 10.208 0.540 1.00 1.00 H new ATOM 0 HB2 GLN A 143 22.895 13.011 0.997 1.00 1.00 H new ATOM 0 HB3 GLN A 143 21.376 12.278 0.523 1.00 1.00 H new ATOM 0 HG2 GLN A 143 22.317 12.775 3.343 1.00 1.00 H new ATOM 0 HG3 GLN A 143 21.182 13.756 2.438 1.00 1.00 H new ATOM 0 HE21 GLN A 143 19.542 13.645 3.917 1.00 1.00 H new ATOM 0 HE22 GLN A 143 18.780 12.135 4.426 1.00 1.00 H new