USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 983 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 37 GLN : amide:sc= -1.73! C(o=-1.7!,f=-7.1!) USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= -0.0226 USER MOD Set 2.1: A 21 GLN : amide:sc= 0.399 K(o=1.3,f=0.067) USER MOD Set 2.2: A 24 HIS : no HE2:sc= 0.945 K(o=1.3,f=-5.8!) USER MOD Single : A 1 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.15) USER MOD Single : A 1 GLN N :NH3+ -166:sc= -0.0735 (180deg=-0.318) USER MOD Single : A 3 HIS : no HD1:sc= -0.087 X(o=-0.087,f=-0.087) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.0571 (180deg=-0.326) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00132 (180deg=-0.107) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc=-0.00682 (180deg=-0.105) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 16 HIS : no HD1:sc=-0.00627 X(o=-0.0063,f=-0.0045) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0892 X(o=-0.089,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.33 F(o=-2.5!,f=-1.3) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.33) USER MOD Single : A 44 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.6!) USER MOD Single : A 46 ASN : amide:sc= -1.87! C(o=-1.9!,f=-4.9!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0203 (180deg=-0.174) USER MOD Single : A 48 SER OG : rot 180:sc= 0.22 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.23! X(o=-1.2!,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc=-0.00118 (180deg=-0.142) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 136:sc= -0.865 (180deg=-1.39) USER MOD Single : A 70 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.5!) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.242) USER MOD Single : A 80 THR OG1 : rot -81:sc= 1.09 USER MOD Single : A 83 ASN : amide:sc= 0.479 K(o=0.48,f=-4.4!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.605 F(o=-1.1,f=-0.61) USER MOD Single : A 90 TYR OH : rot 116:sc= 0.272 USER MOD Single : A 94 GLN : amide:sc= 0.768 K(o=0.77,f=0) USER MOD Single : A 95 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 97 SER OG : rot 66:sc= 0.885 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0741 (180deg=-0.32) USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= -0.0331 (180deg=-0.225) USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= 1.29 (180deg=0.572) USER MOD Single : A 109 GLN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= 1.21 (180deg=1.12) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 150:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 20.120 24.917 8.344 1.00 0.00 N ATOM 2 CA GLN A 1 18.943 25.051 7.451 1.00 0.00 C ATOM 3 C GLN A 1 17.660 24.687 8.186 1.00 0.00 C ATOM 4 O GLN A 1 16.583 25.189 7.862 1.00 0.00 O ATOM 5 CB GLN A 1 19.092 24.154 6.215 1.00 0.00 C ATOM 6 CG GLN A 1 20.279 24.494 5.334 1.00 0.00 C ATOM 7 CD GLN A 1 20.230 25.912 4.810 1.00 0.00 C ATOM 8 OE1 GLN A 1 20.751 26.828 5.431 1.00 0.00 O ATOM 9 NE2 GLN A 1 19.599 26.101 3.670 1.00 0.00 N ATOM 0 H1 GLN A 1 20.940 25.388 7.911 1.00 0.00 H new ATOM 0 H2 GLN A 1 19.912 25.360 9.262 1.00 0.00 H new ATOM 0 H3 GLN A 1 20.335 23.909 8.486 1.00 0.00 H new ATOM 0 HA GLN A 1 18.888 26.092 7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 1 19.182 23.118 6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 1 18.182 24.222 5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 1 21.199 24.352 5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 1 20.312 23.801 4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 1 19.178 25.310 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 1 19.531 27.038 3.274 1.00 0.00 H new ATOM 18 N GLU A 2 17.783 23.811 9.171 1.00 0.00 N ATOM 19 CA GLU A 2 16.645 23.344 9.945 1.00 0.00 C ATOM 20 C GLU A 2 15.996 24.488 10.711 1.00 0.00 C ATOM 21 O GLU A 2 16.682 25.378 11.224 1.00 0.00 O ATOM 22 CB GLU A 2 17.075 22.247 10.935 1.00 0.00 C ATOM 23 CG GLU A 2 17.632 20.972 10.295 1.00 0.00 C ATOM 24 CD GLU A 2 18.899 21.201 9.494 1.00 0.00 C ATOM 25 OE1 GLU A 2 19.736 22.041 9.915 1.00 0.00 O ATOM 26 OE2 GLU A 2 19.063 20.554 8.443 1.00 0.00 O ATOM 0 H GLU A 2 18.674 23.404 9.456 1.00 0.00 H new ATOM 0 HA GLU A 2 15.919 22.933 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.831 22.659 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.217 21.980 11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.834 20.240 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.872 20.540 9.643 1.00 0.00 H new ATOM 33 N HIS A 3 14.682 24.468 10.774 1.00 0.00 N ATOM 34 CA HIS A 3 13.938 25.469 11.511 1.00 0.00 C ATOM 35 C HIS A 3 13.387 24.855 12.781 1.00 0.00 C ATOM 36 O HIS A 3 12.426 24.086 12.747 1.00 0.00 O ATOM 37 CB HIS A 3 12.814 26.057 10.656 1.00 0.00 C ATOM 38 CG HIS A 3 13.312 26.864 9.500 1.00 0.00 C ATOM 39 ND1 HIS A 3 12.880 26.683 8.211 1.00 0.00 N ATOM 40 CD2 HIS A 3 14.214 27.873 9.450 1.00 0.00 C ATOM 41 CE1 HIS A 3 13.490 27.538 7.417 1.00 0.00 C ATOM 42 NE2 HIS A 3 14.305 28.274 8.144 1.00 0.00 N ATOM 0 H HIS A 3 14.102 23.763 10.319 1.00 0.00 H new ATOM 0 HA HIS A 3 14.610 26.286 11.774 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.189 25.246 10.282 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.180 26.685 11.283 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.760 28.285 10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.346 27.622 6.350 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.905 29.020 7.792 1.00 0.00 H new ATOM 51 N LYS A 4 14.016 25.182 13.891 1.00 0.00 N ATOM 52 CA LYS A 4 13.640 24.635 15.185 1.00 0.00 C ATOM 53 C LYS A 4 12.350 25.261 15.677 1.00 0.00 C ATOM 54 O LYS A 4 12.091 26.438 15.431 1.00 0.00 O ATOM 55 CB LYS A 4 14.738 24.884 16.243 1.00 0.00 C ATOM 56 CG LYS A 4 16.134 24.349 15.910 1.00 0.00 C ATOM 57 CD LYS A 4 16.807 25.149 14.803 1.00 0.00 C ATOM 58 CE LYS A 4 18.274 24.800 14.676 1.00 0.00 C ATOM 59 NZ LYS A 4 19.049 25.243 15.860 1.00 0.00 N ATOM 0 H LYS A 4 14.801 25.833 13.925 1.00 0.00 H new ATOM 0 HA LYS A 4 13.506 23.562 15.050 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.814 25.958 16.411 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.415 24.437 17.183 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.755 24.377 16.805 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.058 23.305 15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.303 24.956 13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.702 26.214 15.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.382 23.722 14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.682 25.266 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.059 25.287 15.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.723 26.185 16.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.909 24.568 16.639 1.00 0.00 H new ATOM 73 N PRO A 5 11.518 24.481 16.368 1.00 0.00 N ATOM 74 CA PRO A 5 10.295 24.983 16.968 1.00 0.00 C ATOM 75 C PRO A 5 10.598 25.773 18.244 1.00 0.00 C ATOM 76 O PRO A 5 10.517 25.231 19.355 1.00 0.00 O ATOM 77 CB PRO A 5 9.510 23.713 17.290 1.00 0.00 C ATOM 78 CG PRO A 5 10.558 22.673 17.508 1.00 0.00 C ATOM 79 CD PRO A 5 11.700 23.032 16.599 1.00 0.00 C ATOM 0 HA PRO A 5 9.751 25.666 16.316 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.890 23.844 18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.843 23.440 16.472 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.880 22.657 18.549 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.174 21.679 17.277 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.663 22.818 17.062 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.662 22.469 15.666 1.00 0.00 H new ATOM 87 N LYS A 6 10.983 27.020 18.093 1.00 0.00 N ATOM 88 CA LYS A 6 11.371 27.829 19.229 1.00 0.00 C ATOM 89 C LYS A 6 10.219 28.753 19.633 1.00 0.00 C ATOM 90 O LYS A 6 9.222 28.854 18.919 1.00 0.00 O ATOM 91 CB LYS A 6 12.640 28.626 18.873 1.00 0.00 C ATOM 92 CG LYS A 6 13.408 29.190 20.064 1.00 0.00 C ATOM 93 CD LYS A 6 13.858 28.098 21.036 1.00 0.00 C ATOM 94 CE LYS A 6 14.867 27.144 20.401 1.00 0.00 C ATOM 95 NZ LYS A 6 16.143 27.824 20.052 1.00 0.00 N ATOM 0 H LYS A 6 11.036 27.498 17.193 1.00 0.00 H new ATOM 0 HA LYS A 6 11.594 27.190 20.084 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.308 27.980 18.304 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.360 29.451 18.218 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.281 29.736 19.705 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.779 29.907 20.592 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.301 28.559 21.919 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.989 27.533 21.374 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.071 26.324 21.089 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.434 26.706 19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.848 27.114 19.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.980 28.485 19.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.494 28.349 20.878 1.00 0.00 H new ATOM 109 N LYS A 7 10.342 29.399 20.786 1.00 0.00 N ATOM 110 CA LYS A 7 9.295 30.291 21.272 1.00 0.00 C ATOM 111 C LYS A 7 9.353 31.664 20.575 1.00 0.00 C ATOM 112 O LYS A 7 9.909 32.628 21.104 1.00 0.00 O ATOM 113 CB LYS A 7 9.329 30.432 22.833 1.00 0.00 C ATOM 114 CG LYS A 7 10.520 31.219 23.430 1.00 0.00 C ATOM 115 CD LYS A 7 11.852 30.521 23.218 1.00 0.00 C ATOM 116 CE LYS A 7 13.005 31.318 23.814 1.00 0.00 C ATOM 117 NZ LYS A 7 12.928 31.397 25.293 1.00 0.00 N ATOM 0 H LYS A 7 11.153 29.323 21.400 1.00 0.00 H new ATOM 0 HA LYS A 7 8.339 29.836 21.013 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.406 30.916 23.152 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.330 29.432 23.266 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.558 32.210 22.977 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.356 31.362 24.498 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.821 29.531 23.672 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.022 30.377 22.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.950 30.857 23.525 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.001 32.325 23.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.812 31.798 25.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.130 32.005 25.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.788 30.444 25.685 1.00 0.00 H new ATOM 131 N ASP A 8 8.805 31.738 19.375 1.00 0.00 N ATOM 132 CA ASP A 8 8.787 32.991 18.637 1.00 0.00 C ATOM 133 C ASP A 8 7.827 32.947 17.453 1.00 0.00 C ATOM 134 O ASP A 8 7.239 31.909 17.144 1.00 0.00 O ATOM 135 CB ASP A 8 10.203 33.413 18.191 1.00 0.00 C ATOM 136 CG ASP A 8 10.840 32.461 17.209 1.00 0.00 C ATOM 137 OD1 ASP A 8 10.564 32.578 16.008 1.00 0.00 O ATOM 138 OD2 ASP A 8 11.652 31.613 17.638 1.00 0.00 O ATOM 0 H ASP A 8 8.369 30.952 18.893 1.00 0.00 H new ATOM 0 HA ASP A 8 8.417 33.751 19.325 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.152 34.404 17.741 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.842 33.495 19.070 1.00 0.00 H new ATOM 143 N ASP A 9 7.678 34.097 16.815 1.00 0.00 N ATOM 144 CA ASP A 9 6.731 34.292 15.708 1.00 0.00 C ATOM 145 C ASP A 9 7.097 33.527 14.430 1.00 0.00 C ATOM 146 O ASP A 9 6.271 33.430 13.516 1.00 0.00 O ATOM 147 CB ASP A 9 6.584 35.780 15.385 1.00 0.00 C ATOM 148 CG ASP A 9 7.800 36.354 14.687 1.00 0.00 C ATOM 149 OD1 ASP A 9 8.796 36.660 15.375 1.00 0.00 O ATOM 150 OD2 ASP A 9 7.757 36.512 13.448 1.00 0.00 O ATOM 0 H ASP A 9 8.212 34.934 17.047 1.00 0.00 H new ATOM 0 HA ASP A 9 5.784 33.881 16.058 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.707 35.925 14.754 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.407 36.331 16.308 1.00 0.00 H new ATOM 155 N PHE A 10 8.306 32.996 14.341 1.00 0.00 N ATOM 156 CA PHE A 10 8.703 32.279 13.134 1.00 0.00 C ATOM 157 C PHE A 10 8.039 30.903 13.088 1.00 0.00 C ATOM 158 O PHE A 10 7.927 30.223 14.110 1.00 0.00 O ATOM 159 CB PHE A 10 10.228 32.149 13.039 1.00 0.00 C ATOM 160 CG PHE A 10 10.703 31.605 11.721 1.00 0.00 C ATOM 161 CD1 PHE A 10 10.856 32.443 10.627 1.00 0.00 C ATOM 162 CD2 PHE A 10 10.990 30.258 11.573 1.00 0.00 C ATOM 163 CE1 PHE A 10 11.285 31.947 9.413 1.00 0.00 C ATOM 164 CE2 PHE A 10 11.419 29.758 10.361 1.00 0.00 C ATOM 165 CZ PHE A 10 11.568 30.602 9.279 1.00 0.00 C ATOM 0 H PHE A 10 9.017 33.044 15.071 1.00 0.00 H new ATOM 0 HA PHE A 10 8.366 32.857 12.273 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.679 33.128 13.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.580 31.498 13.840 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.637 33.496 10.726 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.877 29.592 12.416 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.399 32.610 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.638 28.705 10.259 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.905 30.212 8.330 1.00 0.00 H new ATOM 175 N ARG A 11 7.614 30.494 11.901 1.00 0.00 N ATOM 176 CA ARG A 11 6.921 29.231 11.729 1.00 0.00 C ATOM 177 C ARG A 11 7.129 28.744 10.300 1.00 0.00 C ATOM 178 O ARG A 11 7.505 29.522 9.424 1.00 0.00 O ATOM 179 CB ARG A 11 5.416 29.412 12.007 1.00 0.00 C ATOM 180 CG ARG A 11 4.693 28.135 12.424 1.00 0.00 C ATOM 181 CD ARG A 11 5.098 27.708 13.828 1.00 0.00 C ATOM 182 NE ARG A 11 4.403 26.495 14.268 1.00 0.00 N ATOM 183 CZ ARG A 11 4.200 26.167 15.553 1.00 0.00 C ATOM 184 NH1 ARG A 11 4.608 26.983 16.526 1.00 0.00 N ATOM 185 NH2 ARG A 11 3.576 25.034 15.861 1.00 0.00 N ATOM 0 H ARG A 11 7.740 31.025 11.039 1.00 0.00 H new ATOM 0 HA ARG A 11 7.319 28.497 12.430 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.291 30.158 12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.939 29.809 11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.615 28.295 12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.922 27.337 11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.174 27.537 13.856 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.886 28.518 14.526 1.00 0.00 H new ATOM 0 HE ARG A 11 4.051 25.860 13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.076 27.859 16.294 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.452 26.731 17.502 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.251 24.413 15.120 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.422 24.786 16.838 1.00 0.00 H new ATOM 199 N ASN A 12 6.895 27.462 10.076 1.00 0.00 N ATOM 200 CA ASN A 12 7.074 26.858 8.759 1.00 0.00 C ATOM 201 C ASN A 12 5.831 27.047 7.902 1.00 0.00 C ATOM 202 O ASN A 12 4.725 27.215 8.427 1.00 0.00 O ATOM 203 CB ASN A 12 7.393 25.369 8.895 1.00 0.00 C ATOM 204 CG ASN A 12 8.767 25.113 9.486 1.00 0.00 C ATOM 205 OD1 ASN A 12 9.696 25.907 9.308 1.00 0.00 O ATOM 206 ND2 ASN A 12 8.909 24.007 10.187 1.00 0.00 N ATOM 0 H ASN A 12 6.578 26.811 10.794 1.00 0.00 H new ATOM 0 HA ASN A 12 7.910 27.357 8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.638 24.897 9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.331 24.898 7.914 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.811 23.781 10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.117 23.377 10.311 1.00 0.00 H new ATOM 213 N GLU A 13 6.003 27.009 6.588 1.00 0.00 N ATOM 214 CA GLU A 13 4.881 27.207 5.685 1.00 0.00 C ATOM 215 C GLU A 13 4.829 26.126 4.600 1.00 0.00 C ATOM 216 O GLU A 13 4.102 25.142 4.738 1.00 0.00 O ATOM 217 CB GLU A 13 4.917 28.610 5.076 1.00 0.00 C ATOM 218 CG GLU A 13 3.722 28.927 4.197 1.00 0.00 C ATOM 219 CD GLU A 13 3.639 30.390 3.842 1.00 0.00 C ATOM 220 OE1 GLU A 13 4.587 30.916 3.227 1.00 0.00 O ATOM 221 OE2 GLU A 13 2.625 31.033 4.193 1.00 0.00 O ATOM 0 H GLU A 13 6.899 26.845 6.129 1.00 0.00 H new ATOM 0 HA GLU A 13 3.965 27.116 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.969 29.344 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.828 28.717 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.781 28.337 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.808 28.628 4.710 1.00 0.00 H new ATOM 228 N PHE A 14 5.623 26.284 3.542 1.00 0.00 N ATOM 229 CA PHE A 14 5.600 25.343 2.416 1.00 0.00 C ATOM 230 C PHE A 14 6.512 24.148 2.663 1.00 0.00 C ATOM 231 O PHE A 14 6.958 23.491 1.728 1.00 0.00 O ATOM 232 CB PHE A 14 5.993 26.051 1.114 1.00 0.00 C ATOM 233 CG PHE A 14 4.930 26.972 0.579 1.00 0.00 C ATOM 234 CD1 PHE A 14 3.924 26.484 -0.241 1.00 0.00 C ATOM 235 CD2 PHE A 14 4.934 28.321 0.893 1.00 0.00 C ATOM 236 CE1 PHE A 14 2.945 27.324 -0.738 1.00 0.00 C ATOM 237 CE2 PHE A 14 3.956 29.164 0.399 1.00 0.00 C ATOM 238 CZ PHE A 14 2.961 28.666 -0.418 1.00 0.00 C ATOM 0 H PHE A 14 6.288 27.050 3.438 1.00 0.00 H new ATOM 0 HA PHE A 14 4.580 24.970 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.905 26.624 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.224 25.300 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.905 25.434 -0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.710 28.719 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.168 26.930 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.970 30.214 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.198 29.325 -0.805 1.00 0.00 H new ATOM 248 N ASP A 15 6.769 23.867 3.924 1.00 0.00 N ATOM 249 CA ASP A 15 7.600 22.733 4.313 1.00 0.00 C ATOM 250 C ASP A 15 6.869 21.428 4.091 1.00 0.00 C ATOM 251 O ASP A 15 7.477 20.367 4.012 1.00 0.00 O ATOM 252 CB ASP A 15 8.031 22.858 5.763 1.00 0.00 C ATOM 253 CG ASP A 15 8.989 23.996 5.959 1.00 0.00 C ATOM 254 OD1 ASP A 15 8.532 25.156 6.031 1.00 0.00 O ATOM 255 OD2 ASP A 15 10.208 23.741 6.028 1.00 0.00 O ATOM 0 H ASP A 15 6.412 24.412 4.709 1.00 0.00 H new ATOM 0 HA ASP A 15 8.491 22.737 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.154 23.008 6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.499 21.928 6.085 1.00 0.00 H new ATOM 260 N HIS A 16 5.560 21.510 4.018 1.00 0.00 N ATOM 261 CA HIS A 16 4.742 20.343 3.765 1.00 0.00 C ATOM 262 C HIS A 16 4.487 20.235 2.266 1.00 0.00 C ATOM 263 O HIS A 16 4.944 21.085 1.501 1.00 0.00 O ATOM 264 CB HIS A 16 3.410 20.434 4.530 1.00 0.00 C ATOM 265 CG HIS A 16 3.561 20.519 6.026 1.00 0.00 C ATOM 266 ND1 HIS A 16 3.266 19.475 6.875 1.00 0.00 N ATOM 267 CD2 HIS A 16 3.966 21.539 6.822 1.00 0.00 C ATOM 268 CE1 HIS A 16 3.481 19.848 8.120 1.00 0.00 C ATOM 269 NE2 HIS A 16 3.905 21.093 8.114 1.00 0.00 N ATOM 0 H HIS A 16 5.035 22.377 4.131 1.00 0.00 H new ATOM 0 HA HIS A 16 5.266 19.453 4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.863 21.310 4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.804 19.561 4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.278 22.520 6.497 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.334 19.235 8.997 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.149 21.639 8.940 1.00 0.00 H new ATOM 278 N LEU A 17 3.744 19.213 1.861 1.00 0.00 N ATOM 279 CA LEU A 17 3.386 19.002 0.461 1.00 0.00 C ATOM 280 C LEU A 17 2.590 17.711 0.320 1.00 0.00 C ATOM 281 O LEU A 17 3.125 16.612 0.493 1.00 0.00 O ATOM 282 CB LEU A 17 4.626 18.995 -0.453 1.00 0.00 C ATOM 283 CG LEU A 17 4.352 18.975 -1.966 1.00 0.00 C ATOM 284 CD1 LEU A 17 3.359 20.066 -2.349 1.00 0.00 C ATOM 285 CD2 LEU A 17 5.649 19.158 -2.744 1.00 0.00 C ATOM 0 H LEU A 17 3.371 18.505 2.494 1.00 0.00 H new ATOM 0 HA LEU A 17 2.764 19.837 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.225 19.876 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.232 18.124 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 17 3.921 18.006 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.180 20.034 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.420 19.906 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.766 21.040 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.437 19.141 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.101 20.114 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.338 18.350 -2.498 1.00 0.00 H new ATOM 297 N LEU A 18 1.308 17.862 0.030 1.00 0.00 N ATOM 298 CA LEU A 18 0.382 16.735 -0.097 1.00 0.00 C ATOM 299 C LEU A 18 0.865 15.712 -1.127 1.00 0.00 C ATOM 300 O LEU A 18 1.025 14.529 -0.811 1.00 0.00 O ATOM 301 CB LEU A 18 -1.003 17.256 -0.470 1.00 0.00 C ATOM 302 CG LEU A 18 -1.607 18.267 0.509 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.681 19.101 -0.172 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.175 17.557 1.732 1.00 0.00 C ATOM 0 H LEU A 18 0.873 18.771 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 18 0.335 16.223 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.946 17.719 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.682 16.407 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.813 18.937 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.096 19.812 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.244 19.642 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.474 18.447 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.599 18.293 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.953 16.861 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.379 17.009 2.237 1.00 0.00 H new ATOM 316 N ILE A 19 1.107 16.174 -2.354 1.00 0.00 N ATOM 317 CA ILE A 19 1.594 15.300 -3.426 1.00 0.00 C ATOM 318 C ILE A 19 2.913 14.625 -3.039 1.00 0.00 C ATOM 319 O ILE A 19 3.142 13.467 -3.363 1.00 0.00 O ATOM 320 CB ILE A 19 1.751 16.081 -4.766 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.383 16.323 -5.391 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.652 15.342 -5.751 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.353 15.044 -5.761 1.00 0.00 C ATOM 0 H ILE A 19 0.975 17.146 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 19 0.846 14.521 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 19 2.223 17.037 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.229 16.896 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.505 16.934 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.735 15.920 -6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.642 15.213 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.224 14.365 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.319 15.294 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.238 14.479 -6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.507 14.441 -4.866 1.00 0.00 H new ATOM 335 N GLU A 20 3.747 15.345 -2.305 1.00 0.00 N ATOM 336 CA GLU A 20 5.045 14.829 -1.872 1.00 0.00 C ATOM 337 C GLU A 20 4.873 13.567 -1.038 1.00 0.00 C ATOM 338 O GLU A 20 5.538 12.560 -1.274 1.00 0.00 O ATOM 339 CB GLU A 20 5.773 15.891 -1.053 1.00 0.00 C ATOM 340 CG GLU A 20 7.190 15.534 -0.659 1.00 0.00 C ATOM 341 CD GLU A 20 8.092 15.321 -1.861 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.314 16.288 -2.623 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.578 14.186 -2.057 1.00 0.00 O ATOM 0 H GLU A 20 3.550 16.296 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 20 5.632 14.582 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.794 16.819 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.199 16.087 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.602 16.328 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.178 14.628 -0.053 1.00 0.00 H new ATOM 350 N GLN A 21 3.962 13.616 -0.080 1.00 0.00 N ATOM 351 CA GLN A 21 3.737 12.486 0.796 1.00 0.00 C ATOM 352 C GLN A 21 3.015 11.351 0.065 1.00 0.00 C ATOM 353 O GLN A 21 3.161 10.180 0.411 1.00 0.00 O ATOM 354 CB GLN A 21 2.975 12.903 2.051 1.00 0.00 C ATOM 355 CG GLN A 21 3.056 11.884 3.180 1.00 0.00 C ATOM 356 CD GLN A 21 4.494 11.510 3.529 1.00 0.00 C ATOM 357 OE1 GLN A 21 5.047 10.541 3.001 1.00 0.00 O ATOM 358 NE2 GLN A 21 5.108 12.279 4.402 1.00 0.00 N ATOM 0 H GLN A 21 3.370 14.425 0.108 1.00 0.00 H new ATOM 0 HA GLN A 21 4.712 12.112 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.368 13.856 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.928 13.065 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.564 12.288 4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.510 10.985 2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.618 13.071 4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.074 12.083 4.664 1.00 0.00 H new ATOM 367 N ALA A 22 2.261 11.707 -0.975 1.00 0.00 N ATOM 368 CA ALA A 22 1.526 10.720 -1.759 1.00 0.00 C ATOM 369 C ALA A 22 2.495 9.971 -2.658 1.00 0.00 C ATOM 370 O ALA A 22 2.472 8.742 -2.747 1.00 0.00 O ATOM 371 CB ALA A 22 0.444 11.398 -2.589 1.00 0.00 C ATOM 0 H ALA A 22 2.145 12.669 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 22 1.041 10.013 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.095 10.647 -3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.252 11.914 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.903 12.118 -3.267 1.00 0.00 H new ATOM 377 N ASN A 23 3.369 10.742 -3.291 1.00 0.00 N ATOM 378 CA ASN A 23 4.405 10.203 -4.162 1.00 0.00 C ATOM 379 C ASN A 23 5.364 9.363 -3.345 1.00 0.00 C ATOM 380 O ASN A 23 5.947 8.391 -3.837 1.00 0.00 O ATOM 381 CB ASN A 23 5.166 11.322 -4.883 1.00 0.00 C ATOM 382 CG ASN A 23 4.386 11.928 -6.040 1.00 0.00 C ATOM 383 OD1 ASN A 23 3.157 11.957 -6.034 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.098 12.416 -7.041 1.00 0.00 N ATOM 0 H ASN A 23 3.380 11.759 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 23 3.929 9.583 -4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.410 12.107 -4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.111 10.928 -5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.629 12.835 -7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.117 12.374 -7.010 1.00 0.00 H new ATOM 391 N HIS A 24 5.509 9.732 -2.084 1.00 0.00 N ATOM 392 CA HIS A 24 6.355 9.005 -1.171 1.00 0.00 C ATOM 393 C HIS A 24 5.689 7.693 -0.751 1.00 0.00 C ATOM 394 O HIS A 24 6.335 6.647 -0.731 1.00 0.00 O ATOM 395 CB HIS A 24 6.686 9.854 0.062 1.00 0.00 C ATOM 396 CG HIS A 24 7.634 9.214 1.022 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.362 9.084 2.363 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.867 8.690 0.838 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.383 8.508 2.963 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.308 8.260 2.059 1.00 0.00 N ATOM 0 H HIS A 24 5.044 10.541 -1.672 1.00 0.00 H new ATOM 0 HA HIS A 24 7.287 8.773 -1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.110 10.802 -0.269 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.759 10.085 0.587 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.503 9.387 2.822 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.403 8.624 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.450 8.278 4.016 1.00 0.00 H new ATOM 409 N ALA A 25 4.399 7.749 -0.411 1.00 0.00 N ATOM 410 CA ALA A 25 3.658 6.559 -0.010 1.00 0.00 C ATOM 411 C ALA A 25 3.602 5.529 -1.130 1.00 0.00 C ATOM 412 O ALA A 25 3.830 4.343 -0.896 1.00 0.00 O ATOM 413 CB ALA A 25 2.254 6.935 0.436 1.00 0.00 C ATOM 0 H ALA A 25 3.849 8.608 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 25 4.187 6.106 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.713 6.036 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.312 7.619 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.729 7.420 -0.387 1.00 0.00 H new ATOM 419 N ILE A 26 3.302 5.979 -2.349 1.00 0.00 N ATOM 420 CA ILE A 26 3.239 5.068 -3.488 1.00 0.00 C ATOM 421 C ILE A 26 4.620 4.506 -3.801 1.00 0.00 C ATOM 422 O ILE A 26 4.745 3.370 -4.244 1.00 0.00 O ATOM 423 CB ILE A 26 2.625 5.722 -4.754 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.436 6.943 -5.191 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.168 6.097 -4.504 1.00 0.00 C ATOM 426 CD1 ILE A 26 2.920 7.605 -6.453 1.00 0.00 C ATOM 0 H ILE A 26 3.102 6.955 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 26 2.573 4.255 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 26 2.659 4.995 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.436 7.675 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.472 6.641 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.751 6.555 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.599 5.201 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.111 6.804 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.548 8.462 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.946 6.890 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.895 7.939 -6.295 1.00 0.00 H new ATOM 438 N GLU A 27 5.657 5.312 -3.556 1.00 0.00 N ATOM 439 CA GLU A 27 7.032 4.861 -3.728 1.00 0.00 C ATOM 440 C GLU A 27 7.306 3.699 -2.781 1.00 0.00 C ATOM 441 O GLU A 27 7.863 2.669 -3.175 1.00 0.00 O ATOM 442 CB GLU A 27 8.005 5.997 -3.422 1.00 0.00 C ATOM 443 CG GLU A 27 9.464 5.617 -3.550 1.00 0.00 C ATOM 444 CD GLU A 27 10.379 6.704 -3.054 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.693 7.627 -3.836 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.787 6.649 -1.871 1.00 0.00 O ATOM 0 H GLU A 27 5.566 6.277 -3.239 1.00 0.00 H new ATOM 0 HA GLU A 27 7.171 4.541 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.798 6.829 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.822 6.354 -2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.650 4.702 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.691 5.401 -4.594 1.00 0.00 H new ATOM 453 N LYS A 28 6.895 3.870 -1.530 1.00 0.00 N ATOM 454 CA LYS A 28 7.052 2.837 -0.525 1.00 0.00 C ATOM 455 C LYS A 28 6.238 1.608 -0.909 1.00 0.00 C ATOM 456 O LYS A 28 6.728 0.477 -0.836 1.00 0.00 O ATOM 457 CB LYS A 28 6.607 3.360 0.847 1.00 0.00 C ATOM 458 CG LYS A 28 6.618 2.308 1.946 1.00 0.00 C ATOM 459 CD LYS A 28 6.245 2.899 3.302 1.00 0.00 C ATOM 460 CE LYS A 28 4.834 3.466 3.317 1.00 0.00 C ATOM 461 NZ LYS A 28 4.494 4.044 4.640 1.00 0.00 N ATOM 0 H LYS A 28 6.448 4.722 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 28 8.104 2.559 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.260 4.182 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.600 3.768 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.919 1.511 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.608 1.856 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.333 2.128 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.953 3.686 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.741 4.234 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.122 2.679 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.525 4.422 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.559 3.305 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.159 4.811 4.865 1.00 0.00 H new ATOM 475 N GLY A 29 4.999 1.848 -1.336 1.00 0.00 N ATOM 476 CA GLY A 29 4.117 0.774 -1.743 1.00 0.00 C ATOM 477 C GLY A 29 4.682 -0.030 -2.892 1.00 0.00 C ATOM 478 O GLY A 29 4.656 -1.251 -2.879 1.00 0.00 O ATOM 0 H GLY A 29 4.590 2.780 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.937 0.114 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.152 1.190 -2.034 1.00 0.00 H new ATOM 482 N GLU A 30 5.218 0.672 -3.874 1.00 0.00 N ATOM 483 CA GLU A 30 5.787 0.042 -5.052 1.00 0.00 C ATOM 484 C GLU A 30 6.935 -0.887 -4.662 1.00 0.00 C ATOM 485 O GLU A 30 7.023 -2.024 -5.125 1.00 0.00 O ATOM 486 CB GLU A 30 6.278 1.098 -6.044 1.00 0.00 C ATOM 487 CG GLU A 30 6.747 0.520 -7.366 1.00 0.00 C ATOM 488 CD GLU A 30 7.321 1.567 -8.284 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.555 2.170 -9.060 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.546 1.788 -8.243 1.00 0.00 O ATOM 0 H GLU A 30 5.271 1.691 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 30 5.007 -0.549 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.473 1.808 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.097 1.657 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.500 -0.245 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.910 0.028 -7.861 1.00 0.00 H new ATOM 497 N HIS A 31 7.794 -0.394 -3.778 1.00 0.00 N ATOM 498 CA HIS A 31 8.964 -1.141 -3.333 1.00 0.00 C ATOM 499 C HIS A 31 8.554 -2.391 -2.542 1.00 0.00 C ATOM 500 O HIS A 31 9.024 -3.491 -2.825 1.00 0.00 O ATOM 501 CB HIS A 31 9.872 -0.234 -2.482 1.00 0.00 C ATOM 502 CG HIS A 31 11.212 -0.830 -2.135 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.100 -0.227 -1.270 1.00 0.00 N ATOM 504 CD2 HIS A 31 11.818 -1.975 -2.545 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.183 -0.968 -1.164 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.036 -2.033 -1.927 1.00 0.00 N ATOM 0 H HIS A 31 7.701 0.528 -3.352 1.00 0.00 H new ATOM 0 HA HIS A 31 9.517 -1.472 -4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.034 0.701 -3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.350 0.015 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.413 -2.704 -3.231 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.046 -0.742 -0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.721 -2.780 -2.038 1.00 0.00 H new ATOM 515 N GLN A 32 7.673 -2.213 -1.561 1.00 0.00 N ATOM 516 CA GLN A 32 7.227 -3.337 -0.733 1.00 0.00 C ATOM 517 C GLN A 32 6.408 -4.332 -1.554 1.00 0.00 C ATOM 518 O GLN A 32 6.421 -5.531 -1.269 1.00 0.00 O ATOM 519 CB GLN A 32 6.460 -2.843 0.525 1.00 0.00 C ATOM 520 CG GLN A 32 5.160 -2.065 0.266 1.00 0.00 C ATOM 521 CD GLN A 32 3.954 -2.943 -0.083 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.914 -4.155 0.443 1.00 0.00 O flip ATOM 523 NE2 GLN A 32 3.063 -2.521 -0.807 1.00 0.00 N flip ATOM 0 H GLN A 32 7.256 -1.314 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 32 8.111 -3.866 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.224 -3.709 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.129 -2.209 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.921 -1.476 1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.329 -1.361 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.125 -1.580 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.258 -3.110 -1.021 1.00 0.00 H new ATOM 532 N LEU A 33 5.720 -3.844 -2.576 1.00 0.00 N ATOM 533 CA LEU A 33 4.950 -4.709 -3.455 1.00 0.00 C ATOM 534 C LEU A 33 5.885 -5.583 -4.273 1.00 0.00 C ATOM 535 O LEU A 33 5.745 -6.800 -4.285 1.00 0.00 O ATOM 536 CB LEU A 33 4.025 -3.866 -4.366 1.00 0.00 C ATOM 537 CG LEU A 33 3.135 -4.627 -5.389 1.00 0.00 C ATOM 538 CD1 LEU A 33 3.873 -4.860 -6.700 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.642 -5.958 -4.815 1.00 0.00 C ATOM 0 H LEU A 33 5.680 -2.853 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 33 4.318 -5.360 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.370 -3.275 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.648 -3.164 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 33 2.268 -3.998 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.223 -5.394 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.156 -3.901 -7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.769 -5.452 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.023 -6.466 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.497 -6.586 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.055 -5.771 -3.916 1.00 0.00 H new ATOM 551 N LEU A 34 6.879 -4.961 -4.903 1.00 0.00 N ATOM 552 CA LEU A 34 7.815 -5.689 -5.760 1.00 0.00 C ATOM 553 C LEU A 34 8.624 -6.684 -4.941 1.00 0.00 C ATOM 554 O LEU A 34 8.931 -7.783 -5.403 1.00 0.00 O ATOM 555 CB LEU A 34 8.757 -4.718 -6.478 1.00 0.00 C ATOM 556 CG LEU A 34 8.092 -3.727 -7.439 1.00 0.00 C ATOM 557 CD1 LEU A 34 9.124 -2.777 -8.022 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.358 -4.466 -8.548 1.00 0.00 C ATOM 0 H LEU A 34 7.058 -3.959 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 34 7.237 -6.233 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.306 -4.152 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.490 -5.300 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 34 7.363 -3.141 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.634 -2.080 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.603 -2.221 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.877 -3.347 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.893 -3.745 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.065 -5.079 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.589 -5.105 -8.113 1.00 0.00 H new ATOM 570 N TYR A 35 8.950 -6.295 -3.718 1.00 0.00 N ATOM 571 CA TYR A 35 9.708 -7.147 -2.824 1.00 0.00 C ATOM 572 C TYR A 35 8.892 -8.380 -2.439 1.00 0.00 C ATOM 573 O TYR A 35 9.375 -9.513 -2.525 1.00 0.00 O ATOM 574 CB TYR A 35 10.136 -6.374 -1.568 1.00 0.00 C ATOM 575 CG TYR A 35 10.899 -7.216 -0.566 1.00 0.00 C ATOM 576 CD1 TYR A 35 12.209 -7.607 -0.816 1.00 0.00 C ATOM 577 CD2 TYR A 35 10.309 -7.622 0.625 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.906 -8.380 0.090 1.00 0.00 C ATOM 579 CE2 TYR A 35 11.002 -8.393 1.536 1.00 0.00 C ATOM 580 CZ TYR A 35 12.299 -8.770 1.266 1.00 0.00 C ATOM 581 OH TYR A 35 12.992 -9.543 2.173 1.00 0.00 O ATOM 0 H TYR A 35 8.698 -5.389 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 35 10.606 -7.475 -3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.756 -5.529 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.249 -5.964 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.689 -7.301 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.292 -7.330 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.922 -8.678 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.529 -8.700 2.457 1.00 0.00 H new ATOM 0 HH TYR A 35 12.421 -9.729 2.948 1.00 0.00 H new ATOM 591 N LEU A 36 7.649 -8.147 -2.017 1.00 0.00 N ATOM 592 CA LEU A 36 6.757 -9.218 -1.601 1.00 0.00 C ATOM 593 C LEU A 36 6.462 -10.165 -2.768 1.00 0.00 C ATOM 594 O LEU A 36 6.257 -11.365 -2.568 1.00 0.00 O ATOM 595 CB LEU A 36 5.462 -8.624 -1.018 1.00 0.00 C ATOM 596 CG LEU A 36 4.700 -9.496 -0.004 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.816 -8.626 0.872 1.00 0.00 C ATOM 598 CD2 LEU A 36 3.856 -10.547 -0.710 1.00 0.00 C ATOM 0 H LEU A 36 7.239 -7.215 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 36 7.246 -9.804 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.708 -7.677 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.789 -8.396 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 36 5.433 -10.008 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.281 -9.253 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.433 -7.907 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.098 -8.093 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.329 -11.148 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.132 -10.056 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.502 -11.191 -1.307 1.00 0.00 H new ATOM 610 N GLN A 37 6.456 -9.621 -3.991 1.00 0.00 N ATOM 611 CA GLN A 37 6.230 -10.433 -5.190 1.00 0.00 C ATOM 612 C GLN A 37 7.279 -11.540 -5.285 1.00 0.00 C ATOM 613 O GLN A 37 6.999 -12.643 -5.762 1.00 0.00 O ATOM 614 CB GLN A 37 6.272 -9.576 -6.464 1.00 0.00 C ATOM 615 CG GLN A 37 5.171 -8.532 -6.557 1.00 0.00 C ATOM 616 CD GLN A 37 3.774 -9.123 -6.642 1.00 0.00 C ATOM 617 OE1 GLN A 37 3.506 -10.215 -6.146 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.868 -8.392 -7.248 1.00 0.00 N ATOM 0 H GLN A 37 6.604 -8.629 -4.175 1.00 0.00 H new ATOM 0 HA GLN A 37 5.238 -10.876 -5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.238 -9.073 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.207 -10.233 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.227 -7.879 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.346 -7.909 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.125 -7.490 -7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.907 -8.726 -7.318 1.00 0.00 H new ATOM 627 N HIS A 38 8.488 -11.245 -4.815 1.00 0.00 N ATOM 628 CA HIS A 38 9.565 -12.219 -4.835 1.00 0.00 C ATOM 629 C HIS A 38 9.309 -13.313 -3.794 1.00 0.00 C ATOM 630 O HIS A 38 9.686 -14.474 -3.987 1.00 0.00 O ATOM 631 CB HIS A 38 10.919 -11.547 -4.580 1.00 0.00 C ATOM 632 CG HIS A 38 12.085 -12.376 -5.034 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.639 -12.259 -6.284 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.785 -13.352 -4.408 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.620 -13.121 -6.415 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.733 -13.796 -5.291 1.00 0.00 N ATOM 0 H HIS A 38 8.742 -10.341 -4.417 1.00 0.00 H new ATOM 0 HA HIS A 38 9.594 -12.674 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.943 -10.586 -5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.020 -11.342 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.626 -13.712 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.231 -13.254 -7.296 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.416 -14.531 -5.107 1.00 0.00 H new ATOM 645 N GLN A 39 8.657 -12.942 -2.692 1.00 0.00 N ATOM 646 CA GLN A 39 8.320 -13.902 -1.652 1.00 0.00 C ATOM 647 C GLN A 39 7.204 -14.815 -2.121 1.00 0.00 C ATOM 648 O GLN A 39 7.213 -16.012 -1.860 1.00 0.00 O ATOM 649 CB GLN A 39 7.933 -13.200 -0.349 1.00 0.00 C ATOM 650 CG GLN A 39 9.112 -12.597 0.404 1.00 0.00 C ATOM 651 CD GLN A 39 10.115 -13.650 0.849 1.00 0.00 C ATOM 652 OE1 GLN A 39 9.989 -14.224 1.929 1.00 0.00 O ATOM 653 NE2 GLN A 39 11.123 -13.900 0.030 1.00 0.00 N ATOM 0 H GLN A 39 8.355 -11.987 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 39 9.205 -14.506 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.216 -12.410 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.428 -13.915 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.613 -11.869 -0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.745 -12.057 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.194 -13.403 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.830 -14.589 0.286 1.00 0.00 H new ATOM 662 N LEU A 40 6.220 -14.220 -2.797 1.00 0.00 N ATOM 663 CA LEU A 40 5.129 -14.956 -3.426 1.00 0.00 C ATOM 664 C LEU A 40 5.704 -16.063 -4.318 1.00 0.00 C ATOM 665 O LEU A 40 5.268 -17.223 -4.270 1.00 0.00 O ATOM 666 CB LEU A 40 4.273 -13.957 -4.247 1.00 0.00 C ATOM 667 CG LEU A 40 2.948 -14.464 -4.844 1.00 0.00 C ATOM 668 CD1 LEU A 40 3.185 -15.313 -6.080 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.151 -15.231 -3.801 1.00 0.00 C ATOM 0 H LEU A 40 6.160 -13.210 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 40 4.497 -15.428 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.046 -13.105 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.888 -13.584 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 40 2.365 -13.596 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.228 -15.654 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.699 -14.720 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.797 -16.175 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.218 -15.581 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.732 -16.086 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.931 -14.577 -2.958 1.00 0.00 H new ATOM 681 N ASP A 41 6.702 -15.691 -5.111 1.00 0.00 N ATOM 682 CA ASP A 41 7.394 -16.625 -5.994 1.00 0.00 C ATOM 683 C ASP A 41 8.003 -17.764 -5.179 1.00 0.00 C ATOM 684 O ASP A 41 7.919 -18.934 -5.558 1.00 0.00 O ATOM 685 CB ASP A 41 8.489 -15.883 -6.769 1.00 0.00 C ATOM 686 CG ASP A 41 9.359 -16.802 -7.594 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.010 -17.072 -8.760 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.408 -17.238 -7.089 1.00 0.00 O ATOM 0 H ASP A 41 7.055 -14.735 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 41 6.680 -17.047 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.025 -15.146 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.115 -15.335 -6.065 1.00 0.00 H new ATOM 693 N GLU A 42 8.574 -17.404 -4.036 1.00 0.00 N ATOM 694 CA GLU A 42 9.189 -18.364 -3.131 1.00 0.00 C ATOM 695 C GLU A 42 8.156 -19.377 -2.624 1.00 0.00 C ATOM 696 O GLU A 42 8.421 -20.580 -2.588 1.00 0.00 O ATOM 697 CB GLU A 42 9.825 -17.634 -1.942 1.00 0.00 C ATOM 698 CG GLU A 42 10.357 -18.553 -0.853 1.00 0.00 C ATOM 699 CD GLU A 42 11.660 -19.220 -1.223 1.00 0.00 C ATOM 700 OE1 GLU A 42 11.680 -20.029 -2.174 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.677 -18.937 -0.558 1.00 0.00 O ATOM 0 H GLU A 42 8.623 -16.438 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 42 9.962 -18.902 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.642 -17.013 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.085 -16.963 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.497 -17.978 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.612 -19.319 -0.637 1.00 0.00 H new ATOM 708 N LEU A 43 6.968 -18.893 -2.258 1.00 0.00 N ATOM 709 CA LEU A 43 5.916 -19.747 -1.718 1.00 0.00 C ATOM 710 C LEU A 43 5.439 -20.747 -2.757 1.00 0.00 C ATOM 711 O LEU A 43 5.035 -21.855 -2.422 1.00 0.00 O ATOM 712 CB LEU A 43 4.745 -18.892 -1.244 1.00 0.00 C ATOM 713 CG LEU A 43 3.590 -19.653 -0.586 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.025 -20.272 0.725 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.397 -18.744 -0.383 1.00 0.00 C ATOM 0 H LEU A 43 6.712 -17.908 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 43 6.326 -20.301 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.121 -18.155 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.352 -18.341 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 43 3.293 -20.460 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.186 -20.806 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.844 -20.968 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.359 -19.488 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.588 -19.305 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.680 -17.910 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.062 -18.362 -1.347 1.00 0.00 H new ATOM 727 N ASN A 44 5.485 -20.346 -4.023 1.00 0.00 N ATOM 728 CA ASN A 44 5.066 -21.212 -5.122 1.00 0.00 C ATOM 729 C ASN A 44 5.901 -22.471 -5.165 1.00 0.00 C ATOM 730 O ASN A 44 5.397 -23.554 -5.450 1.00 0.00 O ATOM 731 CB ASN A 44 5.170 -20.478 -6.460 1.00 0.00 C ATOM 732 CG ASN A 44 3.922 -19.699 -6.801 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.008 -20.223 -7.432 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.869 -18.453 -6.391 1.00 0.00 N ATOM 0 H ASN A 44 5.809 -19.424 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 44 4.025 -21.487 -4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.021 -19.797 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.368 -21.201 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.047 -17.884 -6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.649 -18.054 -5.869 1.00 0.00 H new ATOM 741 N GLU A 45 7.176 -22.312 -4.885 1.00 0.00 N ATOM 742 CA GLU A 45 8.111 -23.412 -4.905 1.00 0.00 C ATOM 743 C GLU A 45 8.154 -24.109 -3.539 1.00 0.00 C ATOM 744 O GLU A 45 8.186 -25.337 -3.463 1.00 0.00 O ATOM 745 CB GLU A 45 9.504 -22.883 -5.305 1.00 0.00 C ATOM 746 CG GLU A 45 10.514 -23.949 -5.730 1.00 0.00 C ATOM 747 CD GLU A 45 11.135 -24.693 -4.568 1.00 0.00 C ATOM 748 OE1 GLU A 45 11.883 -24.069 -3.793 1.00 0.00 O ATOM 749 OE2 GLU A 45 10.893 -25.912 -4.435 1.00 0.00 O ATOM 0 H GLU A 45 7.593 -21.415 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 45 7.789 -24.151 -5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.383 -22.174 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.919 -22.329 -4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.019 -24.665 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.305 -23.476 -6.312 1.00 0.00 H new ATOM 756 N ASN A 46 8.123 -23.329 -2.468 1.00 0.00 N ATOM 757 CA ASN A 46 8.244 -23.870 -1.115 1.00 0.00 C ATOM 758 C ASN A 46 6.962 -24.576 -0.650 1.00 0.00 C ATOM 759 O ASN A 46 7.038 -25.591 0.039 1.00 0.00 O ATOM 760 CB ASN A 46 8.604 -22.757 -0.133 1.00 0.00 C ATOM 761 CG ASN A 46 9.318 -23.278 1.097 1.00 0.00 C ATOM 762 OD1 ASN A 46 8.694 -23.676 2.070 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.632 -23.264 1.061 1.00 0.00 N ATOM 0 H ASN A 46 8.015 -22.315 -2.507 1.00 0.00 H new ATOM 0 HA ASN A 46 9.039 -24.615 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.237 -22.025 -0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.696 -22.237 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.168 -23.593 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.116 -22.924 0.230 1.00 0.00 H new ATOM 770 N LYS A 47 5.785 -24.048 -1.039 1.00 0.00 N ATOM 771 CA LYS A 47 4.468 -24.592 -0.616 1.00 0.00 C ATOM 772 C LYS A 47 4.308 -24.693 0.922 1.00 0.00 C ATOM 773 O LYS A 47 3.419 -25.396 1.410 1.00 0.00 O ATOM 774 CB LYS A 47 4.218 -25.965 -1.249 1.00 0.00 C ATOM 775 CG LYS A 47 2.755 -26.221 -1.631 1.00 0.00 C ATOM 776 CD LYS A 47 2.261 -25.283 -2.747 1.00 0.00 C ATOM 777 CE LYS A 47 2.990 -25.529 -4.062 1.00 0.00 C ATOM 778 NZ LYS A 47 2.742 -26.894 -4.597 1.00 0.00 N ATOM 0 H LYS A 47 5.714 -23.236 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 47 3.724 -23.878 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.837 -26.060 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.541 -26.739 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.644 -27.256 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.126 -26.094 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.190 -25.426 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.405 -24.247 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.670 -24.790 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.061 -25.388 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.099 -26.955 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.233 -27.594 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.721 -27.090 -4.590 1.00 0.00 H new ATOM 792 N SER A 48 5.153 -24.007 1.674 1.00 0.00 N ATOM 793 CA SER A 48 5.067 -24.024 3.130 1.00 0.00 C ATOM 794 C SER A 48 3.809 -23.334 3.638 1.00 0.00 C ATOM 795 O SER A 48 3.516 -22.200 3.256 1.00 0.00 O ATOM 796 CB SER A 48 6.298 -23.359 3.737 1.00 0.00 C ATOM 797 OG SER A 48 6.175 -23.224 5.146 1.00 0.00 O ATOM 0 H SER A 48 5.908 -23.430 1.303 1.00 0.00 H new ATOM 0 HA SER A 48 5.021 -25.068 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.184 -23.949 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.441 -22.376 3.287 1.00 0.00 H new ATOM 0 HG SER A 48 6.980 -22.796 5.505 1.00 0.00 H new ATOM 803 N LYS A 49 3.061 -24.023 4.491 1.00 0.00 N ATOM 804 CA LYS A 49 1.883 -23.442 5.109 1.00 0.00 C ATOM 805 C LYS A 49 2.264 -22.265 6.015 1.00 0.00 C ATOM 806 O LYS A 49 1.589 -21.245 6.032 1.00 0.00 O ATOM 807 CB LYS A 49 1.081 -24.504 5.900 1.00 0.00 C ATOM 808 CG LYS A 49 1.886 -25.294 6.935 1.00 0.00 C ATOM 809 CD LYS A 49 2.512 -26.557 6.340 1.00 0.00 C ATOM 810 CE LYS A 49 3.328 -27.311 7.382 1.00 0.00 C ATOM 811 NZ LYS A 49 3.923 -28.558 6.837 1.00 0.00 N ATOM 0 H LYS A 49 3.252 -24.986 4.769 1.00 0.00 H new ATOM 0 HA LYS A 49 1.243 -23.066 4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.255 -24.007 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.643 -25.207 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.672 -24.659 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.236 -25.570 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.728 -27.205 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.151 -26.288 5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.122 -26.665 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.691 -27.556 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.469 -29.037 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.165 -29.188 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.552 -28.324 6.043 1.00 0.00 H new ATOM 825 N GLU A 50 3.346 -22.423 6.772 1.00 0.00 N ATOM 826 CA GLU A 50 3.840 -21.348 7.629 1.00 0.00 C ATOM 827 C GLU A 50 4.250 -20.145 6.794 1.00 0.00 C ATOM 828 O GLU A 50 3.941 -19.004 7.149 1.00 0.00 O ATOM 829 CB GLU A 50 5.015 -21.827 8.473 1.00 0.00 C ATOM 830 CG GLU A 50 4.672 -23.002 9.367 1.00 0.00 C ATOM 831 CD GLU A 50 5.840 -23.460 10.198 1.00 0.00 C ATOM 832 OE1 GLU A 50 6.062 -22.886 11.281 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.527 -24.419 9.787 1.00 0.00 O ATOM 0 H GLU A 50 3.896 -23.281 6.810 1.00 0.00 H new ATOM 0 HA GLU A 50 3.033 -21.050 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.836 -22.109 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.370 -21.002 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.849 -22.724 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.322 -23.831 8.752 1.00 0.00 H new ATOM 840 N LEU A 51 4.933 -20.396 5.686 1.00 0.00 N ATOM 841 CA LEU A 51 5.315 -19.317 4.786 1.00 0.00 C ATOM 842 C LEU A 51 4.053 -18.641 4.242 1.00 0.00 C ATOM 843 O LEU A 51 3.997 -17.422 4.126 1.00 0.00 O ATOM 844 CB LEU A 51 6.188 -19.849 3.647 1.00 0.00 C ATOM 845 CG LEU A 51 6.791 -18.797 2.707 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.681 -17.829 3.475 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.575 -19.470 1.593 1.00 0.00 C ATOM 0 H LEU A 51 5.231 -21.326 5.391 1.00 0.00 H new ATOM 0 HA LEU A 51 5.902 -18.580 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.003 -20.427 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.590 -20.539 3.051 1.00 0.00 H new ATOM 0 HG LEU A 51 5.974 -18.228 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.097 -17.093 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.092 -17.320 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.492 -18.380 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.997 -18.710 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.381 -20.065 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.911 -20.118 1.021 1.00 0.00 H new ATOM 859 N GLN A 52 3.038 -19.457 3.938 1.00 0.00 N ATOM 860 CA GLN A 52 1.729 -18.957 3.508 1.00 0.00 C ATOM 861 C GLN A 52 1.185 -17.950 4.528 1.00 0.00 C ATOM 862 O GLN A 52 0.805 -16.834 4.169 1.00 0.00 O ATOM 863 CB GLN A 52 0.741 -20.137 3.355 1.00 0.00 C ATOM 864 CG GLN A 52 -0.744 -19.756 3.324 1.00 0.00 C ATOM 865 CD GLN A 52 -1.213 -19.182 1.999 1.00 0.00 C ATOM 866 OE1 GLN A 52 -2.113 -18.342 1.962 1.00 0.00 O ATOM 867 NE2 GLN A 52 -0.645 -19.655 0.907 1.00 0.00 N ATOM 0 H GLN A 52 3.100 -20.474 3.983 1.00 0.00 H new ATOM 0 HA GLN A 52 1.842 -18.457 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.980 -20.671 2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.902 -20.832 4.179 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.339 -20.640 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.937 -19.027 4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.098 -20.350 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.948 -19.325 -0.009 1.00 0.00 H new ATOM 876 N GLU A 53 1.185 -18.349 5.802 1.00 0.00 N ATOM 877 CA GLU A 53 0.683 -17.518 6.893 1.00 0.00 C ATOM 878 C GLU A 53 1.432 -16.195 7.000 1.00 0.00 C ATOM 879 O GLU A 53 0.819 -15.136 7.063 1.00 0.00 O ATOM 880 CB GLU A 53 0.788 -18.286 8.216 1.00 0.00 C ATOM 881 CG GLU A 53 -0.116 -19.504 8.299 1.00 0.00 C ATOM 882 CD GLU A 53 -1.579 -19.140 8.434 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.970 -18.033 8.014 1.00 0.00 O ATOM 884 OE2 GLU A 53 -2.350 -19.963 8.969 1.00 0.00 O ATOM 0 H GLU A 53 1.534 -19.259 6.104 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.360 -17.285 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.821 -18.603 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.546 -17.610 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.021 -20.114 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.182 -20.115 9.151 1.00 0.00 H new ATOM 891 N LYS A 54 2.755 -16.260 7.023 1.00 0.00 N ATOM 892 CA LYS A 54 3.577 -15.055 7.156 1.00 0.00 C ATOM 893 C LYS A 54 3.360 -14.116 5.972 1.00 0.00 C ATOM 894 O LYS A 54 3.206 -12.909 6.149 1.00 0.00 O ATOM 895 CB LYS A 54 5.062 -15.423 7.267 1.00 0.00 C ATOM 896 CG LYS A 54 5.365 -16.477 8.319 1.00 0.00 C ATOM 897 CD LYS A 54 4.882 -16.060 9.698 1.00 0.00 C ATOM 898 CE LYS A 54 5.088 -17.175 10.707 1.00 0.00 C ATOM 899 NZ LYS A 54 6.521 -17.527 10.862 1.00 0.00 N ATOM 0 H LYS A 54 3.285 -17.128 6.952 1.00 0.00 H new ATOM 0 HA LYS A 54 3.273 -14.541 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.409 -15.782 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.632 -14.523 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.890 -17.417 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.439 -16.659 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.419 -15.168 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.825 -15.796 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.683 -16.870 11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.530 -18.057 10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.636 -18.166 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.858 -18.000 9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.076 -16.662 11.022 1.00 0.00 H new ATOM 913 N ILE A 55 3.330 -14.685 4.781 1.00 0.00 N ATOM 914 CA ILE A 55 3.148 -13.900 3.568 1.00 0.00 C ATOM 915 C ILE A 55 1.800 -13.175 3.565 1.00 0.00 C ATOM 916 O ILE A 55 1.749 -11.963 3.356 1.00 0.00 O ATOM 917 CB ILE A 55 3.306 -14.752 2.281 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.762 -15.214 2.135 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.871 -13.960 1.048 1.00 0.00 C ATOM 920 CD1 ILE A 55 5.013 -16.067 0.913 1.00 0.00 C ATOM 0 H ILE A 55 3.429 -15.688 4.625 1.00 0.00 H new ATOM 0 HA ILE A 55 3.942 -13.154 3.566 1.00 0.00 H new ATOM 0 HB ILE A 55 2.663 -15.628 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.409 -14.338 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.045 -15.777 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.991 -14.578 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.825 -13.671 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.487 -13.065 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.064 -16.354 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.394 -16.963 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.763 -15.500 0.016 1.00 0.00 H new ATOM 932 N ILE A 56 0.717 -13.903 3.826 1.00 0.00 N ATOM 933 CA ILE A 56 -0.612 -13.296 3.819 1.00 0.00 C ATOM 934 C ILE A 56 -0.792 -12.327 5.001 1.00 0.00 C ATOM 935 O ILE A 56 -1.452 -11.293 4.874 1.00 0.00 O ATOM 936 CB ILE A 56 -1.754 -14.361 3.813 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.121 -13.684 3.627 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.741 -15.196 5.089 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.281 -14.655 3.537 1.00 0.00 C ATOM 0 H ILE A 56 0.731 -14.900 4.042 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.686 -12.731 2.890 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.579 -15.033 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.294 -13.003 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.095 -13.079 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.548 -15.928 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.786 -15.714 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.880 -14.544 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.210 -14.101 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.133 -15.321 2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.335 -15.243 4.453 1.00 0.00 H new ATOM 951 N ARG A 57 -0.171 -12.647 6.134 1.00 0.00 N ATOM 952 CA ARG A 57 -0.273 -11.810 7.324 1.00 0.00 C ATOM 953 C ARG A 57 0.430 -10.480 7.116 1.00 0.00 C ATOM 954 O ARG A 57 -0.143 -9.421 7.393 1.00 0.00 O ATOM 955 CB ARG A 57 0.309 -12.525 8.542 1.00 0.00 C ATOM 956 CG ARG A 57 -0.702 -12.789 9.643 1.00 0.00 C ATOM 957 CD ARG A 57 -1.791 -13.746 9.187 1.00 0.00 C ATOM 958 NE ARG A 57 -2.786 -13.962 10.234 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.347 -15.138 10.511 1.00 0.00 C ATOM 960 NH1 ARG A 57 -3.026 -16.222 9.814 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.231 -15.229 11.490 1.00 0.00 N ATOM 0 H ARG A 57 0.407 -13.479 6.252 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.331 -11.618 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.739 -13.474 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.124 -11.926 8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.193 -13.204 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.153 -11.847 9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.278 -13.347 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.344 -14.700 8.906 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.071 -13.157 10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.344 -16.159 9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.462 -17.118 10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.481 -14.401 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.663 -16.128 11.705 1.00 0.00 H new ATOM 975 N GLU A 58 1.661 -10.523 6.623 1.00 0.00 N ATOM 976 CA GLU A 58 2.398 -9.297 6.372 1.00 0.00 C ATOM 977 C GLU A 58 1.766 -8.522 5.226 1.00 0.00 C ATOM 978 O GLU A 58 1.771 -7.288 5.218 1.00 0.00 O ATOM 979 CB GLU A 58 3.881 -9.571 6.103 1.00 0.00 C ATOM 980 CG GLU A 58 4.591 -10.226 7.277 1.00 0.00 C ATOM 981 CD GLU A 58 6.096 -10.261 7.121 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.751 -9.249 7.440 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.638 -11.309 6.716 1.00 0.00 O ATOM 0 H GLU A 58 2.162 -11.381 6.393 1.00 0.00 H new ATOM 0 HA GLU A 58 2.344 -8.685 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.972 -10.213 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.380 -8.632 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.340 -9.688 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.221 -11.244 7.395 1.00 0.00 H new ATOM 990 N LEU A 59 1.200 -9.245 4.269 1.00 0.00 N ATOM 991 CA LEU A 59 0.511 -8.638 3.144 1.00 0.00 C ATOM 992 C LEU A 59 -0.675 -7.819 3.648 1.00 0.00 C ATOM 993 O LEU A 59 -0.859 -6.665 3.263 1.00 0.00 O ATOM 994 CB LEU A 59 0.021 -9.735 2.186 1.00 0.00 C ATOM 995 CG LEU A 59 -0.654 -9.270 0.893 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.332 -8.533 0.012 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.249 -10.455 0.152 1.00 0.00 C ATOM 0 H LEU A 59 1.207 -10.265 4.253 1.00 0.00 H new ATOM 0 HA LEU A 59 1.198 -7.980 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.874 -10.359 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.681 -10.370 2.727 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.460 -8.583 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.167 -8.211 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.714 -7.661 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.160 -9.195 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.725 -10.109 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.459 -11.164 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.991 -10.944 0.784 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.457 -8.431 4.532 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.661 -7.812 5.078 1.00 0.00 C ATOM 1011 C ASP A 60 -2.357 -6.565 5.903 1.00 0.00 C ATOM 1012 O ASP A 60 -2.969 -5.521 5.689 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.443 -8.814 5.921 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.765 -8.255 6.408 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.689 -8.111 5.580 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.893 -7.967 7.617 1.00 0.00 O ATOM 0 H ASP A 60 -1.275 -9.369 4.890 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.266 -7.500 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.627 -9.713 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.840 -9.112 6.779 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.409 -6.667 6.837 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.090 -5.531 7.711 1.00 0.00 C ATOM 1023 C VAL A 61 -0.578 -4.328 6.912 1.00 0.00 C ATOM 1024 O VAL A 61 -0.931 -3.184 7.206 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.075 -5.902 8.832 1.00 0.00 C ATOM 1026 CG1 VAL A 61 -0.646 -6.984 9.735 1.00 0.00 C ATOM 1027 CG2 VAL A 61 1.261 -6.344 8.253 1.00 0.00 C ATOM 0 H VAL A 61 -0.857 -7.507 7.008 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.027 -5.255 8.195 1.00 0.00 H new ATOM 0 HB VAL A 61 0.100 -5.005 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.078 -7.229 10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.566 -6.625 10.197 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.861 -7.875 9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.944 -6.595 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.112 -7.219 7.621 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.685 -5.535 7.659 1.00 0.00 H new ATOM 1037 N VAL A 62 0.228 -4.591 5.891 1.00 0.00 N ATOM 1038 CA VAL A 62 0.742 -3.525 5.045 1.00 0.00 C ATOM 1039 C VAL A 62 -0.375 -2.985 4.162 1.00 0.00 C ATOM 1040 O VAL A 62 -0.468 -1.781 3.929 1.00 0.00 O ATOM 1041 CB VAL A 62 1.927 -4.003 4.165 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.384 -2.896 3.227 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.084 -4.462 5.040 1.00 0.00 C ATOM 0 H VAL A 62 0.538 -5.527 5.631 1.00 0.00 H new ATOM 0 HA VAL A 62 1.114 -2.734 5.697 1.00 0.00 H new ATOM 0 HB VAL A 62 1.586 -4.845 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.216 -3.254 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.558 -2.606 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.706 -2.034 3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.908 -4.794 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.418 -3.634 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.756 -5.287 5.673 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.239 -3.873 3.711 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.361 -3.479 2.886 1.00 0.00 C ATOM 1055 C CYS A 63 -3.292 -2.557 3.666 1.00 0.00 C ATOM 1056 O CYS A 63 -3.724 -1.529 3.160 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.133 -4.702 2.378 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.512 -4.304 1.274 1.00 0.00 S ATOM 0 H CYS A 63 -1.184 -4.873 3.903 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.970 -2.943 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.442 -5.362 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.516 -5.257 3.234 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.098 -5.402 0.899 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.560 -2.918 4.916 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.465 -2.170 5.774 1.00 0.00 C ATOM 1066 C ALA A 64 -3.910 -0.794 6.109 1.00 0.00 C ATOM 1067 O ALA A 64 -4.611 0.210 5.969 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.708 -2.951 7.050 1.00 0.00 C ATOM 0 H ALA A 64 -3.153 -3.740 5.362 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.404 -2.028 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.386 -2.392 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.152 -3.917 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.761 -3.107 7.567 1.00 0.00 H new ATOM 1074 N MET A 65 -2.653 -0.739 6.544 1.00 0.00 N ATOM 1075 CA MET A 65 -2.039 0.541 6.896 1.00 0.00 C ATOM 1076 C MET A 65 -1.995 1.463 5.679 1.00 0.00 C ATOM 1077 O MET A 65 -2.174 2.677 5.798 1.00 0.00 O ATOM 1078 CB MET A 65 -0.627 0.343 7.469 1.00 0.00 C ATOM 1079 CG MET A 65 0.416 -0.039 6.431 1.00 0.00 C ATOM 1080 SD MET A 65 2.073 -0.195 7.114 1.00 0.00 S ATOM 1081 CE MET A 65 1.831 -1.567 8.226 1.00 0.00 C ATOM 0 H MET A 65 -2.047 -1.551 6.660 1.00 0.00 H new ATOM 0 HA MET A 65 -2.652 1.006 7.668 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.314 1.264 7.961 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.663 -0.432 8.235 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.130 -0.984 5.969 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.425 0.712 5.641 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.664 -2.263 8.132 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.779 -1.200 9.251 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.901 -2.078 7.976 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.772 0.873 4.506 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.743 1.626 3.269 1.00 0.00 C ATOM 1093 C ILE A 66 -3.138 2.144 2.916 1.00 0.00 C ATOM 1094 O ILE A 66 -3.289 3.289 2.512 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.124 0.797 2.091 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.354 1.174 1.882 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.907 0.976 0.788 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.246 0.949 3.095 1.00 0.00 C ATOM 0 H ILE A 66 -1.609 -0.128 4.394 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.092 2.486 3.424 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.187 -0.255 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.748 0.595 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.410 2.225 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.442 0.384 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.935 0.644 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.902 2.028 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.268 1.242 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.883 1.549 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.226 -0.105 3.371 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.160 1.308 3.121 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.541 1.686 2.829 1.00 0.00 C ATOM 1112 C GLU A 67 -5.983 2.825 3.732 1.00 0.00 C ATOM 1113 O GLU A 67 -6.665 3.758 3.290 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.482 0.487 3.013 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.346 -0.586 1.941 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.145 -0.288 0.687 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -7.460 0.898 0.430 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.496 -1.249 -0.034 1.00 0.00 O ATOM 0 H GLU A 67 -4.054 0.363 3.489 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.588 2.015 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.292 0.037 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.511 0.846 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.294 -0.693 1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.671 -1.542 2.351 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.581 2.749 5.000 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.951 3.757 5.965 1.00 0.00 C ATOM 1127 C GLY A 68 -5.322 5.098 5.674 1.00 0.00 C ATOM 1128 O GLY A 68 -6.005 6.128 5.657 1.00 0.00 O ATOM 0 H GLY A 68 -5.001 1.998 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.036 3.863 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.653 3.428 6.961 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.016 5.087 5.421 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.279 6.307 5.131 1.00 0.00 C ATOM 1134 C ALA A 69 -3.711 6.873 3.790 1.00 0.00 C ATOM 1135 O ALA A 69 -3.855 8.088 3.642 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.780 6.036 5.139 1.00 0.00 C ATOM 0 H ALA A 69 -3.447 4.241 5.412 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.499 7.042 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.242 6.959 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.482 5.666 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.541 5.289 4.382 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.933 5.991 2.821 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.363 6.406 1.492 1.00 0.00 C ATOM 1144 C GLN A 70 -5.697 7.129 1.587 1.00 0.00 C ATOM 1145 O GLN A 70 -5.900 8.165 0.970 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.511 5.209 0.571 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.482 5.574 -0.891 1.00 0.00 C ATOM 1148 CD GLN A 70 -4.951 4.455 -1.778 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.802 3.282 -1.458 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -5.525 4.815 -2.898 1.00 0.00 N ATOM 0 H GLN A 70 -3.822 4.983 2.932 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.605 7.073 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.710 4.500 0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.450 4.702 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.110 6.450 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.466 5.853 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.628 5.804 -3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.870 4.106 -3.545 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.587 6.574 2.401 1.00 0.00 N ATOM 1160 CA GLY A 71 -7.911 7.143 2.571 1.00 0.00 C ATOM 1161 C GLY A 71 -7.864 8.494 3.253 1.00 0.00 C ATOM 1162 O GLY A 71 -8.580 9.432 2.870 1.00 0.00 O ATOM 0 H GLY A 71 -6.413 5.733 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.390 7.245 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.526 6.461 3.159 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.009 8.591 4.260 1.00 0.00 N ATOM 1167 CA ALA A 72 -6.854 9.813 5.027 1.00 0.00 C ATOM 1168 C ALA A 72 -6.262 10.907 4.160 1.00 0.00 C ATOM 1169 O ALA A 72 -6.851 11.978 3.994 1.00 0.00 O ATOM 1170 CB ALA A 72 -5.974 9.571 6.246 1.00 0.00 C ATOM 0 H ALA A 72 -6.406 7.827 4.566 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.838 10.132 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.869 10.498 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.431 8.811 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.991 9.230 5.923 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.097 10.612 3.595 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.379 11.544 2.742 1.00 0.00 C ATOM 1178 C LEU A 73 -5.241 12.005 1.573 1.00 0.00 C ATOM 1179 O LEU A 73 -5.262 13.182 1.258 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.091 10.899 2.230 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.204 11.780 1.356 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.676 12.973 2.142 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.063 10.969 0.776 1.00 0.00 C ATOM 0 H LEU A 73 -4.625 9.716 3.718 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.128 12.422 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.507 10.568 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.356 10.007 1.662 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.808 12.164 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.047 13.585 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.513 13.570 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.090 12.619 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.439 11.611 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.463 10.554 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.465 10.157 0.169 1.00 0.00 H new ATOM 1195 N GLU A 74 -5.951 11.064 0.946 1.00 0.00 N ATOM 1196 CA GLU A 74 -6.833 11.366 -0.189 1.00 0.00 C ATOM 1197 C GLU A 74 -7.830 12.465 0.185 1.00 0.00 C ATOM 1198 O GLU A 74 -7.967 13.472 -0.518 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.570 10.090 -0.612 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.411 9.721 -2.085 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.181 10.638 -3.016 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.326 11.013 -2.679 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.664 10.967 -4.100 1.00 0.00 O ATOM 0 H GLU A 74 -5.933 10.078 1.206 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.233 11.727 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.211 9.260 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.631 10.210 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.354 9.751 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.748 8.695 -2.235 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.514 12.270 1.305 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.489 13.241 1.784 1.00 0.00 C ATOM 1212 C ARG A 75 -8.831 14.602 2.035 1.00 0.00 C ATOM 1213 O ARG A 75 -9.389 15.642 1.686 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.164 12.736 3.060 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.256 13.656 3.580 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.954 13.068 4.793 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.642 11.814 4.479 1.00 0.00 N ATOM 1218 CZ ARG A 75 -13.514 11.207 5.292 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -13.820 11.743 6.471 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -14.083 10.069 4.924 1.00 0.00 N ATOM 0 H ARG A 75 -8.411 11.447 1.899 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.248 13.366 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.591 11.752 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.408 12.610 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.824 14.622 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.987 13.836 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.222 12.892 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.674 13.789 5.181 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.443 11.374 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.389 12.621 6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.486 11.275 7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.856 9.655 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.748 9.607 5.545 1.00 0.00 H new ATOM 1234 N GLU A 76 -7.647 14.587 2.623 1.00 0.00 N ATOM 1235 CA GLU A 76 -6.940 15.822 2.933 1.00 0.00 C ATOM 1236 C GLU A 76 -6.426 16.516 1.673 1.00 0.00 C ATOM 1237 O GLU A 76 -6.707 17.691 1.461 1.00 0.00 O ATOM 1238 CB GLU A 76 -5.791 15.559 3.904 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.245 15.028 5.251 1.00 0.00 C ATOM 1240 CD GLU A 76 -5.119 14.955 6.254 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -4.628 16.025 6.675 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -4.740 13.839 6.653 1.00 0.00 O ATOM 0 H GLU A 76 -7.154 13.736 2.896 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.655 16.493 3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.102 14.844 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.235 16.484 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.035 15.669 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.675 14.035 5.120 1.00 0.00 H new ATOM 1249 N LEU A 77 -5.663 15.806 0.848 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.127 16.397 -0.382 1.00 0.00 C ATOM 1251 C LEU A 77 -6.216 16.949 -1.290 1.00 0.00 C ATOM 1252 O LEU A 77 -5.969 17.849 -2.085 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.189 15.412 -1.143 1.00 0.00 C ATOM 1254 CG LEU A 77 -4.760 14.036 -1.557 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.759 14.158 -2.699 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.630 13.098 -1.954 1.00 0.00 C ATOM 0 H LEU A 77 -5.402 14.832 1.002 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.520 17.247 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.840 15.914 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.313 15.235 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.288 13.627 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.136 13.169 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.589 14.793 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.268 14.599 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.044 12.132 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.081 13.524 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.954 12.965 -1.109 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.433 16.451 -1.134 1.00 0.00 N ATOM 1269 CA LYS A 78 -8.538 16.880 -1.969 1.00 0.00 C ATOM 1270 C LYS A 78 -8.913 18.351 -1.724 1.00 0.00 C ATOM 1271 O LYS A 78 -9.725 18.924 -2.452 1.00 0.00 O ATOM 1272 CB LYS A 78 -9.740 15.966 -1.796 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.094 15.207 -3.067 1.00 0.00 C ATOM 1274 CD LYS A 78 -8.913 14.414 -3.597 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.263 13.665 -4.867 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.231 12.577 -4.611 1.00 0.00 N ATOM 0 H LYS A 78 -7.678 15.749 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.206 16.808 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.536 15.253 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.599 16.559 -1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.925 14.531 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.431 15.910 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.080 15.089 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.580 13.706 -2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.681 14.360 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.356 13.249 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.158 11.863 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.022 12.135 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.195 12.967 -4.596 1.00 0.00 H new ATOM 1290 N ARG A 79 -8.333 18.941 -0.678 1.00 0.00 N ATOM 1291 CA ARG A 79 -8.592 20.337 -0.328 1.00 0.00 C ATOM 1292 C ARG A 79 -8.197 21.292 -1.461 1.00 0.00 C ATOM 1293 O ARG A 79 -8.849 22.314 -1.673 1.00 0.00 O ATOM 1294 CB ARG A 79 -7.848 20.713 0.958 1.00 0.00 C ATOM 1295 CG ARG A 79 -8.424 20.076 2.217 1.00 0.00 C ATOM 1296 CD ARG A 79 -9.695 20.779 2.673 1.00 0.00 C ATOM 1297 NE ARG A 79 -9.427 22.160 3.088 1.00 0.00 N ATOM 1298 CZ ARG A 79 -9.627 22.632 4.323 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -10.176 21.859 5.257 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -9.290 23.885 4.615 1.00 0.00 N ATOM 0 H ARG A 79 -7.677 18.470 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.665 20.438 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.803 20.419 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.865 21.797 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.638 19.024 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.682 20.112 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.424 20.777 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.139 20.228 3.502 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.063 22.805 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.446 20.902 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.326 22.224 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.880 24.483 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.441 24.248 5.556 1.00 0.00 H new ATOM 1314 N THR A 80 -7.146 20.955 -2.185 1.00 0.00 N ATOM 1315 CA THR A 80 -6.684 21.796 -3.272 1.00 0.00 C ATOM 1316 C THR A 80 -6.295 20.966 -4.486 1.00 0.00 C ATOM 1317 O THR A 80 -5.280 20.284 -4.484 1.00 0.00 O ATOM 1318 CB THR A 80 -5.501 22.705 -2.835 1.00 0.00 C ATOM 1319 OG1 THR A 80 -4.937 23.390 -3.965 1.00 0.00 O ATOM 1320 CG2 THR A 80 -4.431 21.905 -2.125 1.00 0.00 C ATOM 0 H THR A 80 -6.598 20.107 -2.040 1.00 0.00 H new ATOM 0 HA THR A 80 -7.517 22.442 -3.550 1.00 0.00 H new ATOM 0 HB THR A 80 -5.895 23.446 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.326 22.789 -4.440 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.616 22.567 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.856 21.436 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.049 21.134 -2.794 1.00 0.00 H new ATOM 1328 N ASP A 81 -7.119 21.010 -5.518 1.00 0.00 N ATOM 1329 CA ASP A 81 -6.843 20.277 -6.737 1.00 0.00 C ATOM 1330 C ASP A 81 -7.145 21.156 -7.942 1.00 0.00 C ATOM 1331 O ASP A 81 -7.169 20.686 -9.082 1.00 0.00 O ATOM 1332 CB ASP A 81 -7.688 18.989 -6.801 1.00 0.00 C ATOM 1333 CG ASP A 81 -9.172 19.259 -7.011 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -9.866 19.619 -6.040 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -9.659 19.095 -8.156 1.00 0.00 O ATOM 0 H ASP A 81 -7.986 21.547 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.789 19.998 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.321 18.360 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.554 18.427 -5.877 1.00 0.00 H new ATOM 1340 N LEU A 82 -7.360 22.444 -7.690 1.00 0.00 N ATOM 1341 CA LEU A 82 -7.695 23.374 -8.749 1.00 0.00 C ATOM 1342 C LEU A 82 -6.418 23.996 -9.282 1.00 0.00 C ATOM 1343 O LEU A 82 -5.818 24.839 -8.614 1.00 0.00 O ATOM 1344 CB LEU A 82 -8.652 24.464 -8.234 1.00 0.00 C ATOM 1345 CG LEU A 82 -9.681 25.004 -9.245 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -10.509 26.115 -8.622 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -9.007 25.496 -10.518 1.00 0.00 C ATOM 0 H LEU A 82 -7.307 22.861 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.202 22.839 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.193 24.066 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.054 25.301 -7.874 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.343 24.181 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.230 26.484 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.039 25.729 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.853 26.930 -8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.763 25.870 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.310 26.298 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.465 24.673 -10.984 1.00 0.00 H new ATOM 1359 N ASN A 83 -6.046 23.599 -10.499 1.00 0.00 N ATOM 1360 CA ASN A 83 -4.799 24.020 -11.161 1.00 0.00 C ATOM 1361 C ASN A 83 -4.438 22.996 -12.209 1.00 0.00 C ATOM 1362 O ASN A 83 -4.682 21.809 -12.016 1.00 0.00 O ATOM 1363 CB ASN A 83 -3.642 24.141 -10.169 1.00 0.00 C ATOM 1364 CG ASN A 83 -2.419 24.773 -10.783 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -1.538 24.083 -11.297 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -2.356 26.084 -10.742 1.00 0.00 N ATOM 0 H ASN A 83 -6.608 22.965 -11.067 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.965 25.000 -11.608 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.962 24.734 -9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.385 23.151 -9.793 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.555 26.569 -11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.108 26.617 -10.306 1.00 0.00 H new ATOM 1373 N ILE A 84 -3.866 23.441 -13.310 1.00 0.00 N ATOM 1374 CA ILE A 84 -3.494 22.535 -14.387 1.00 0.00 C ATOM 1375 C ILE A 84 -2.480 21.479 -13.923 1.00 0.00 C ATOM 1376 O ILE A 84 -2.637 20.281 -14.204 1.00 0.00 O ATOM 1377 CB ILE A 84 -2.937 23.297 -15.613 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -3.968 24.317 -16.106 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -2.576 22.318 -16.728 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -3.504 25.139 -17.286 1.00 0.00 C ATOM 0 H ILE A 84 -3.648 24.422 -13.486 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.409 22.024 -14.686 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.032 23.828 -15.318 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.882 23.791 -16.380 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.221 24.989 -15.285 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.186 22.869 -17.584 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.819 21.621 -16.369 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.466 21.764 -17.028 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.290 25.837 -17.575 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.607 25.695 -17.012 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.279 24.479 -18.124 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.465 21.914 -13.177 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.418 21.018 -12.711 1.00 0.00 C ATOM 1394 C LEU A 85 -0.954 20.119 -11.604 1.00 0.00 C ATOM 1395 O LEU A 85 -0.715 18.906 -11.609 1.00 0.00 O ATOM 1396 CB LEU A 85 0.791 21.850 -12.221 1.00 0.00 C ATOM 1397 CG LEU A 85 2.100 21.088 -11.924 1.00 0.00 C ATOM 1398 CD1 LEU A 85 3.275 22.050 -11.931 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.029 20.380 -10.577 1.00 0.00 C ATOM 0 H LEU A 85 -1.349 22.884 -12.884 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.089 20.379 -13.531 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.006 22.609 -12.973 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.493 22.376 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 85 2.237 20.338 -12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.194 21.503 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.351 22.524 -12.909 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.124 22.814 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.965 19.851 -10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.867 21.114 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.205 19.667 -10.584 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.688 20.713 -10.656 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.270 19.948 -9.560 1.00 0.00 C ATOM 1413 C GLU A 86 -3.214 18.887 -10.101 1.00 0.00 C ATOM 1414 O GLU A 86 -3.220 17.757 -9.619 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.985 20.857 -8.551 1.00 0.00 C ATOM 1416 CG GLU A 86 -2.039 21.780 -7.786 1.00 0.00 C ATOM 1417 CD GLU A 86 -2.752 22.706 -6.814 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -3.176 22.239 -5.735 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -2.866 23.910 -7.117 1.00 0.00 O ATOM 0 H GLU A 86 -1.889 21.713 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.457 19.453 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.723 21.462 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.531 20.238 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.318 21.174 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.474 22.380 -8.499 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.998 19.249 -11.123 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.889 18.302 -11.782 1.00 0.00 C ATOM 1428 C ARG A 87 -4.112 17.084 -12.246 1.00 0.00 C ATOM 1429 O ARG A 87 -4.459 15.951 -11.922 1.00 0.00 O ATOM 1430 CB ARG A 87 -5.572 18.962 -12.993 1.00 0.00 C ATOM 1431 CG ARG A 87 -6.456 18.021 -13.811 1.00 0.00 C ATOM 1432 CD ARG A 87 -7.681 17.585 -13.027 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.541 18.718 -12.699 1.00 0.00 N ATOM 1434 CZ ARG A 87 -8.964 19.018 -11.469 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -8.624 18.255 -10.437 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -9.738 20.074 -11.274 1.00 0.00 N ATOM 0 H ARG A 87 -4.030 20.193 -11.508 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.650 17.993 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.179 19.797 -12.642 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.804 19.378 -13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.769 18.520 -14.728 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.880 17.144 -14.106 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.245 16.856 -13.608 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.368 17.087 -12.109 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.840 19.323 -13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.036 17.434 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.951 18.490 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.011 20.659 -12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.061 20.303 -10.334 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.039 17.347 -12.987 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.190 16.303 -13.535 1.00 0.00 C ATOM 1452 C PHE A 88 -1.563 15.443 -12.436 1.00 0.00 C ATOM 1453 O PHE A 88 -1.645 14.221 -12.484 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.102 16.927 -14.420 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.079 15.948 -14.927 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -0.430 14.970 -15.844 1.00 0.00 C ATOM 1457 CD2 PHE A 88 1.235 16.012 -14.488 1.00 0.00 C ATOM 1458 CE1 PHE A 88 0.512 14.072 -16.310 1.00 0.00 C ATOM 1459 CE2 PHE A 88 2.179 15.118 -14.952 1.00 0.00 C ATOM 1460 CZ PHE A 88 1.817 14.145 -15.864 1.00 0.00 C ATOM 0 H PHE A 88 -2.737 18.292 -13.222 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.814 15.646 -14.141 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.578 17.412 -15.273 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.592 17.706 -13.854 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.449 14.909 -16.198 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.523 16.770 -13.775 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.227 13.313 -17.023 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.199 15.179 -14.603 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.553 13.443 -16.227 1.00 0.00 H new ATOM 1470 N ASN A 89 -0.953 16.086 -11.444 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.270 15.360 -10.360 1.00 0.00 C ATOM 1472 C ASN A 89 -1.229 14.464 -9.587 1.00 0.00 C ATOM 1473 O ASN A 89 -0.986 13.271 -9.437 1.00 0.00 O ATOM 1474 CB ASN A 89 0.424 16.335 -9.400 1.00 0.00 C ATOM 1475 CG ASN A 89 1.766 16.837 -9.913 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.923 16.902 -11.225 1.00 0.00 O flip ATOM 1477 ND2 ASN A 89 2.655 17.164 -9.132 1.00 0.00 N flip ATOM 0 H ASN A 89 -0.914 17.102 -11.362 1.00 0.00 H new ATOM 0 HA ASN A 89 0.483 14.725 -10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.231 17.188 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.572 15.843 -8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.499 17.101 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.550 17.499 -9.489 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.313 15.047 -9.097 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.329 14.304 -8.350 1.00 0.00 C ATOM 1486 C TYR A 90 -3.857 13.120 -9.155 1.00 0.00 C ATOM 1487 O TYR A 90 -3.882 11.987 -8.673 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.468 15.239 -7.947 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.140 16.126 -6.765 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.979 16.888 -6.734 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -4.995 16.200 -5.681 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.684 17.692 -5.661 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.705 17.002 -4.602 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.544 17.749 -4.597 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.240 18.551 -3.521 1.00 0.00 O ATOM 0 H TYR A 90 -2.517 16.041 -9.202 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.866 13.904 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.729 15.867 -8.799 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.349 14.642 -7.709 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.296 16.847 -7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.905 15.619 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.777 18.278 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.383 17.047 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.916 19.256 -3.437 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.267 13.403 -10.383 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.783 12.389 -11.299 1.00 0.00 C ATOM 1507 C GLU A 91 -3.774 11.251 -11.479 1.00 0.00 C ATOM 1508 O GLU A 91 -4.106 10.073 -11.317 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.077 13.035 -12.652 1.00 0.00 C ATOM 1510 CG GLU A 91 -5.714 12.100 -13.661 1.00 0.00 C ATOM 1511 CD GLU A 91 -7.146 11.771 -13.325 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -8.043 12.507 -13.778 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.384 10.772 -12.627 1.00 0.00 O ATOM 0 H GLU A 91 -4.252 14.344 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.698 11.971 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.736 13.890 -12.499 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.146 13.421 -13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.673 12.556 -14.650 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.136 11.177 -13.711 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.540 11.620 -11.785 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.477 10.663 -12.062 1.00 0.00 C ATOM 1522 C GLU A 92 -1.148 9.827 -10.821 1.00 0.00 C ATOM 1523 O GLU A 92 -1.031 8.604 -10.900 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.235 11.421 -12.565 1.00 0.00 C ATOM 1525 CG GLU A 92 0.649 10.654 -13.549 1.00 0.00 C ATOM 1526 CD GLU A 92 1.523 9.613 -12.892 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.582 9.986 -12.332 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.182 8.419 -12.959 1.00 0.00 O ATOM 0 H GLU A 92 -2.245 12.594 -11.849 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.812 9.971 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.563 12.345 -13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.370 11.704 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.015 10.168 -14.291 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.282 11.362 -14.084 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.045 10.487 -9.667 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.700 9.807 -8.426 1.00 0.00 C ATOM 1537 C ALA A 93 -1.773 8.797 -8.048 1.00 0.00 C ATOM 1538 O ALA A 93 -1.472 7.665 -7.641 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.499 10.817 -7.304 1.00 0.00 C ATOM 0 H ALA A 93 -1.196 11.491 -9.570 1.00 0.00 H new ATOM 0 HA ALA A 93 0.235 9.269 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.242 10.292 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.308 11.500 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.419 11.382 -7.154 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.031 9.205 -8.194 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.149 8.339 -7.876 1.00 0.00 C ATOM 1547 C GLN A 94 -4.191 7.168 -8.853 1.00 0.00 C ATOM 1548 O GLN A 94 -4.538 6.045 -8.480 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.469 9.110 -7.916 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.619 8.376 -7.249 1.00 0.00 C ATOM 1551 CD GLN A 94 -7.954 9.028 -7.507 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.634 8.698 -8.474 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.351 9.946 -6.643 1.00 0.00 N ATOM 0 H GLN A 94 -3.296 10.131 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.013 7.957 -6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.332 10.075 -7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.731 9.313 -8.954 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.646 7.348 -7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.442 8.333 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.757 10.193 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.252 10.408 -6.768 1.00 0.00 H new ATOM 1562 N THR A 95 -3.828 7.443 -10.106 1.00 0.00 N ATOM 1563 CA THR A 95 -3.757 6.410 -11.128 1.00 0.00 C ATOM 1564 C THR A 95 -2.809 5.291 -10.685 1.00 0.00 C ATOM 1565 O THR A 95 -3.139 4.099 -10.773 1.00 0.00 O ATOM 1566 CB THR A 95 -3.279 6.979 -12.487 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.183 8.007 -12.931 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.211 5.878 -13.540 1.00 0.00 C ATOM 0 H THR A 95 -3.579 8.376 -10.434 1.00 0.00 H new ATOM 0 HA THR A 95 -4.763 6.013 -11.259 1.00 0.00 H new ATOM 0 HB THR A 95 -2.282 7.398 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.049 8.815 -12.393 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.873 6.300 -14.486 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.512 5.107 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.200 5.438 -13.671 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.660 5.684 -10.140 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.670 4.725 -9.695 1.00 0.00 C ATOM 1578 C LEU A 96 -1.179 3.981 -8.480 1.00 0.00 C ATOM 1579 O LEU A 96 -0.906 2.796 -8.304 1.00 0.00 O ATOM 1580 CB LEU A 96 0.646 5.417 -9.355 1.00 0.00 C ATOM 1581 CG LEU A 96 1.303 6.187 -10.495 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.531 6.924 -9.996 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.669 5.244 -11.635 1.00 0.00 C ATOM 0 H LEU A 96 -1.398 6.660 -9.999 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.492 4.020 -10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.470 6.107 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.349 4.665 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 96 0.591 6.921 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.989 7.469 -10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.241 7.626 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.247 6.207 -9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.137 5.811 -12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.365 4.487 -11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.768 4.759 -12.009 1.00 0.00 H new ATOM 1595 N SER A 97 -1.937 4.691 -7.649 1.00 0.00 N ATOM 1596 CA SER A 97 -2.503 4.120 -6.444 1.00 0.00 C ATOM 1597 C SER A 97 -3.362 2.900 -6.778 1.00 0.00 C ATOM 1598 O SER A 97 -3.176 1.823 -6.209 1.00 0.00 O ATOM 1599 CB SER A 97 -3.328 5.169 -5.695 1.00 0.00 C ATOM 1600 OG SER A 97 -2.546 6.316 -5.393 1.00 0.00 O ATOM 0 H SER A 97 -2.172 5.673 -7.796 1.00 0.00 H new ATOM 0 HA SER A 97 -1.686 3.796 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.187 5.460 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.718 4.738 -4.773 1.00 0.00 H new ATOM 0 HG SER A 97 -2.296 6.770 -6.225 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.291 3.075 -7.726 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.172 1.993 -8.150 1.00 0.00 C ATOM 1608 C LYS A 98 -4.393 0.843 -8.763 1.00 0.00 C ATOM 1609 O LYS A 98 -4.733 -0.322 -8.545 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.230 2.495 -9.141 1.00 0.00 C ATOM 1611 CG LYS A 98 -7.476 3.087 -8.492 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.232 4.481 -7.945 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.478 5.036 -7.269 1.00 0.00 C ATOM 1614 NZ LYS A 98 -9.663 5.018 -8.170 1.00 0.00 N ATOM 0 H LYS A 98 -4.448 3.958 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.676 1.626 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.778 3.250 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.529 1.667 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.283 3.122 -9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.807 2.435 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.409 4.455 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.929 5.144 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.695 4.452 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.287 6.058 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.422 5.597 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.399 5.404 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.997 4.040 -8.284 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.337 1.160 -9.509 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.527 0.126 -10.141 1.00 0.00 C ATOM 1630 C ILE A 99 -1.818 -0.718 -9.083 1.00 0.00 C ATOM 1631 O ILE A 99 -1.839 -1.949 -9.136 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.480 0.737 -11.108 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.182 1.506 -12.235 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.581 -0.354 -11.686 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.233 2.218 -13.177 1.00 0.00 C ATOM 0 H ILE A 99 -3.026 2.115 -9.688 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.199 -0.508 -10.719 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.856 1.433 -10.547 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.794 0.811 -12.809 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.859 2.238 -11.795 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.147 0.095 -12.362 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.058 -0.862 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.189 -1.074 -12.234 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.805 2.738 -13.945 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.638 2.939 -12.617 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.572 1.490 -13.647 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.217 -0.039 -8.106 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.496 -0.708 -7.027 1.00 0.00 C ATOM 1649 C LEU A 100 -1.425 -1.604 -6.220 1.00 0.00 C ATOM 1650 O LEU A 100 -1.092 -2.749 -5.926 1.00 0.00 O ATOM 1651 CB LEU A 100 0.181 0.315 -6.108 1.00 0.00 C ATOM 1652 CG LEU A 100 1.279 1.170 -6.750 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.825 2.172 -5.750 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.400 0.292 -7.291 1.00 0.00 C ATOM 0 H LEU A 100 -1.216 0.979 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 100 0.274 -1.332 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.585 0.981 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.611 -0.217 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 100 0.841 1.717 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.604 2.771 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.020 2.825 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.244 1.641 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.168 0.920 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.836 -0.285 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.999 -0.388 -8.043 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.599 -1.078 -5.877 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.586 -1.831 -5.113 1.00 0.00 C ATOM 1668 C LEU A 101 -4.069 -3.038 -5.901 1.00 0.00 C ATOM 1669 O LEU A 101 -4.243 -4.124 -5.345 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.781 -0.945 -4.748 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.474 0.263 -3.863 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.731 1.087 -3.649 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.893 -0.182 -2.526 1.00 0.00 C ATOM 0 H LEU A 101 -2.889 -0.130 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.106 -2.174 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.238 -0.588 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.524 -1.562 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.731 0.882 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.501 1.945 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.106 1.435 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.490 0.473 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.682 0.693 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.611 -0.821 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.970 -0.737 -2.697 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.270 -2.848 -7.196 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.719 -3.919 -8.063 1.00 0.00 C ATOM 1687 C LYS A 102 -3.654 -5.011 -8.159 1.00 0.00 C ATOM 1688 O LYS A 102 -3.972 -6.199 -8.067 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.077 -3.358 -9.462 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.535 -4.392 -10.495 1.00 0.00 C ATOM 1691 CD LYS A 102 -4.360 -5.072 -11.193 1.00 0.00 C ATOM 1692 CE LYS A 102 -3.583 -4.108 -12.080 1.00 0.00 C ATOM 1693 NZ LYS A 102 -4.418 -3.558 -13.176 1.00 0.00 N ATOM 0 H LYS A 102 -4.127 -1.956 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.617 -4.367 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.866 -2.615 -9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.205 -2.837 -9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.149 -5.147 -10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.165 -3.905 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.690 -5.495 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.728 -5.902 -11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.198 -3.289 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.721 -4.622 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.806 -3.104 -13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.953 -4.328 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.080 -2.856 -12.789 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.393 -4.619 -8.317 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.316 -5.596 -8.444 1.00 0.00 C ATOM 1709 C ASP A 103 -1.105 -6.312 -7.113 1.00 0.00 C ATOM 1710 O ASP A 103 -0.792 -7.507 -7.083 1.00 0.00 O ATOM 1711 CB ASP A 103 -0.018 -4.912 -8.890 1.00 0.00 C ATOM 1712 CG ASP A 103 0.907 -5.848 -9.648 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.743 -6.522 -9.012 1.00 0.00 O ATOM 1714 OD2 ASP A 103 0.796 -5.913 -10.895 1.00 0.00 O ATOM 0 H ASP A 103 -2.094 -3.645 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.596 -6.328 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.261 -4.058 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.503 -4.524 -8.015 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.301 -5.584 -6.009 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.190 -6.158 -4.674 1.00 0.00 C ATOM 1721 C LEU A 104 -2.258 -7.234 -4.481 1.00 0.00 C ATOM 1722 O LEU A 104 -1.984 -8.319 -3.961 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.366 -5.053 -3.625 1.00 0.00 C ATOM 1724 CG LEU A 104 -1.087 -5.442 -2.175 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.392 -5.719 -1.972 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -1.562 -4.350 -1.229 1.00 0.00 C ATOM 0 H LEU A 104 -1.538 -4.592 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.206 -6.612 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.709 -4.224 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.389 -4.682 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.640 -6.354 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.571 -5.995 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.702 -6.537 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.966 -4.825 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.355 -4.645 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.038 -3.421 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.634 -4.201 -1.355 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.487 -6.909 -4.880 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.601 -7.854 -4.822 1.00 0.00 C ATOM 1740 C LYS A 105 -4.333 -9.083 -5.678 1.00 0.00 C ATOM 1741 O LYS A 105 -4.816 -10.177 -5.373 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.909 -7.171 -5.234 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.495 -6.277 -4.152 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.994 -7.103 -2.975 1.00 0.00 C ATOM 1745 CE LYS A 105 -7.395 -6.228 -1.802 1.00 0.00 C ATOM 1746 NZ LYS A 105 -7.945 -7.035 -0.687 1.00 0.00 N ATOM 0 H LYS A 105 -3.737 -5.992 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.701 -8.191 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.732 -6.575 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.640 -7.935 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.739 -5.570 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.316 -5.691 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.848 -7.704 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.214 -7.797 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.529 -5.666 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.138 -5.500 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.771 -6.546 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.969 -7.160 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.482 -7.966 -0.671 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.559 -8.911 -6.742 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.176 -10.033 -7.578 1.00 0.00 C ATOM 1762 C GLU A 106 -2.270 -10.959 -6.772 1.00 0.00 C ATOM 1763 O GLU A 106 -2.363 -12.178 -6.874 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.459 -9.550 -8.842 1.00 0.00 C ATOM 1765 CG GLU A 106 -2.928 -10.221 -10.133 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.697 -11.721 -10.160 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -1.539 -12.146 -10.342 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -3.682 -12.482 -10.040 1.00 0.00 O ATOM 0 H GLU A 106 -3.188 -8.010 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.070 -10.573 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.600 -8.473 -8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.389 -9.723 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.991 -10.024 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.409 -9.767 -10.977 1.00 0.00 H new ATOM 1775 N THR A 107 -1.419 -10.362 -5.927 1.00 0.00 N ATOM 1776 CA THR A 107 -0.537 -11.130 -5.062 1.00 0.00 C ATOM 1777 C THR A 107 -1.373 -11.908 -4.058 1.00 0.00 C ATOM 1778 O THR A 107 -1.149 -13.101 -3.842 1.00 0.00 O ATOM 1779 CB THR A 107 0.435 -10.215 -4.298 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.011 -9.273 -5.202 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.545 -11.030 -3.650 1.00 0.00 C ATOM 0 H THR A 107 -1.329 -9.351 -5.830 1.00 0.00 H new ATOM 0 HA THR A 107 0.045 -11.808 -5.686 1.00 0.00 H new ATOM 0 HB THR A 107 -0.120 -9.694 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.629 -8.689 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.221 -10.363 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.111 -11.744 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.099 -11.567 -4.420 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.339 -11.215 -3.437 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.291 -11.836 -2.519 1.00 0.00 C ATOM 1791 C GLU A 108 -3.926 -13.048 -3.174 1.00 0.00 C ATOM 1792 O GLU A 108 -4.015 -14.122 -2.583 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.383 -10.826 -2.150 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.453 -11.389 -1.228 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.782 -10.677 -1.364 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.966 -9.611 -0.733 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.660 -11.189 -2.099 1.00 0.00 O ATOM 0 H GLU A 108 -2.478 -10.212 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.764 -12.150 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.920 -9.964 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.856 -10.467 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.590 -12.449 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.111 -11.316 -0.196 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.365 -12.863 -4.399 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.968 -13.925 -5.156 1.00 0.00 C ATOM 1806 C GLN A 109 -4.000 -15.086 -5.372 1.00 0.00 C ATOM 1807 O GLN A 109 -4.378 -16.237 -5.231 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.512 -13.390 -6.476 1.00 0.00 C ATOM 1809 CG GLN A 109 -5.951 -14.461 -7.450 1.00 0.00 C ATOM 1810 CD GLN A 109 -6.811 -13.905 -8.559 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.035 -13.922 -8.473 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -6.186 -13.369 -9.584 1.00 0.00 N ATOM 0 H GLN A 109 -4.312 -11.972 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.804 -14.321 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.359 -12.736 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.745 -12.777 -6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.072 -14.941 -7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.505 -15.232 -6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -5.167 -13.374 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -6.720 -12.948 -10.344 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.754 -14.774 -5.686 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.747 -15.805 -5.920 1.00 0.00 C ATOM 1823 C LYS A 110 -1.456 -16.610 -4.647 1.00 0.00 C ATOM 1824 O LYS A 110 -1.449 -17.845 -4.666 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.451 -15.195 -6.457 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.578 -14.441 -7.782 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.988 -15.347 -8.939 1.00 0.00 C ATOM 1828 CE LYS A 110 -2.497 -15.372 -9.147 1.00 0.00 C ATOM 1829 NZ LYS A 110 -2.873 -16.201 -10.319 1.00 0.00 N ATOM 0 H LYS A 110 -2.412 -13.818 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.154 -16.485 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.053 -14.512 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.281 -15.993 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.313 -13.644 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.374 -13.966 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.503 -15.006 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.633 -16.360 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.982 -15.764 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.862 -14.355 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.907 -16.196 -10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.430 -15.812 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.546 -17.177 -10.173 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.236 -15.902 -3.540 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.910 -16.557 -2.276 1.00 0.00 C ATOM 1845 C VAL A 111 -2.063 -17.440 -1.800 1.00 0.00 C ATOM 1846 O VAL A 111 -1.846 -18.572 -1.365 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.484 -15.536 -1.163 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.586 -14.545 -0.847 1.00 0.00 C ATOM 1849 CG2 VAL A 111 -0.047 -16.260 0.100 1.00 0.00 C ATOM 0 H VAL A 111 -1.277 -14.884 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.046 -17.194 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 111 0.363 -14.973 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.246 -13.858 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.838 -13.982 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.468 -15.081 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.243 -15.530 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.872 -16.864 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.802 -16.905 -0.126 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.288 -16.933 -1.909 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.459 -17.699 -1.510 1.00 0.00 C ATOM 1861 C LYS A 112 -4.766 -18.797 -2.527 1.00 0.00 C ATOM 1862 O LYS A 112 -5.526 -19.724 -2.247 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.669 -16.775 -1.299 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.339 -16.259 -2.566 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.239 -15.072 -2.243 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.136 -14.689 -3.408 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.891 -13.438 -3.131 1.00 0.00 N ATOM 0 H LYS A 112 -3.492 -16.001 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.242 -18.184 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.413 -17.311 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.349 -15.919 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.581 -15.963 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.926 -17.055 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.856 -15.313 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.622 -14.217 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.531 -14.558 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.836 -15.500 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.144 -12.979 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.757 -13.665 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.300 -12.794 -2.568 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.165 -18.682 -3.700 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.330 -19.679 -4.751 1.00 0.00 C ATOM 1883 C ASP A 113 -3.461 -20.908 -4.481 1.00 0.00 C ATOM 1884 O ASP A 113 -3.791 -22.018 -4.908 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.994 -19.090 -6.129 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.213 -20.070 -7.260 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.370 -20.238 -7.690 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.224 -20.666 -7.735 1.00 0.00 O ATOM 0 H ASP A 113 -3.555 -17.904 -3.951 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.376 -19.985 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.607 -18.205 -6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.954 -18.764 -6.135 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.347 -20.713 -3.766 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.456 -21.825 -3.425 1.00 0.00 C ATOM 1895 C ILE A 114 -2.080 -22.711 -2.344 1.00 0.00 C ATOM 1896 O ILE A 114 -2.432 -22.245 -1.250 1.00 0.00 O ATOM 1897 CB ILE A 114 -0.039 -21.313 -2.960 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.940 -21.263 -4.137 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.540 -22.169 -1.840 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.549 -20.306 -5.227 1.00 0.00 C ATOM 0 H ILE A 114 -2.044 -19.804 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.318 -22.419 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.181 -20.304 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.926 -20.986 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.030 -22.263 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.516 -21.779 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.129 -22.144 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.647 -23.197 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.296 -20.333 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.421 -20.593 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.488 -19.296 -4.820 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.254 -23.978 -2.683 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.773 -24.963 -1.754 1.00 0.00 C ATOM 1914 C GLN A 115 -1.681 -25.392 -0.764 1.00 0.00 C ATOM 1915 O GLN A 115 -0.632 -25.915 -1.157 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.311 -26.184 -2.518 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.275 -26.873 -3.398 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.841 -28.045 -4.172 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -3.304 -27.893 -5.303 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -2.816 -29.216 -3.571 1.00 0.00 N ATOM 0 H GLN A 115 -2.039 -24.350 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.592 -24.514 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.700 -26.906 -1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.149 -25.870 -3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.862 -26.148 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.451 -27.220 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.424 -29.300 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.189 -30.040 -4.043 1.00 0.00 H new ATOM 1929 N THR A 116 -1.916 -25.155 0.503 1.00 0.00 N ATOM 1930 CA THR A 116 -0.981 -25.545 1.535 1.00 0.00 C ATOM 1931 C THR A 116 -1.669 -26.465 2.536 1.00 0.00 C ATOM 1932 O THR A 116 -2.756 -26.973 2.259 1.00 0.00 O ATOM 1933 CB THR A 116 -0.401 -24.305 2.238 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.430 -23.321 2.428 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.735 -23.714 1.412 1.00 0.00 C ATOM 0 H THR A 116 -2.755 -24.689 0.849 1.00 0.00 H new ATOM 0 HA THR A 116 -0.154 -26.086 1.076 1.00 0.00 H new ATOM 0 HB THR A 116 -0.011 -24.605 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.237 -22.797 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.137 -22.837 1.920 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.523 -24.457 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.359 -23.424 0.431 1.00 0.00 H new ATOM 1943 N GLN A 117 -1.058 -26.687 3.681 1.00 0.00 N ATOM 1944 CA GLN A 117 -1.670 -27.520 4.689 1.00 0.00 C ATOM 1945 C GLN A 117 -2.492 -26.666 5.630 1.00 0.00 C ATOM 1946 O GLN A 117 -3.730 -26.815 5.644 1.00 0.00 O ATOM 1947 CB GLN A 117 -0.634 -28.323 5.469 1.00 0.00 C ATOM 1948 CG GLN A 117 -1.248 -29.369 6.393 1.00 0.00 C ATOM 1949 CD GLN A 117 -2.232 -30.280 5.674 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -1.855 -31.311 5.120 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -3.497 -29.905 5.681 1.00 0.00 N ATOM 1952 OXT GLN A 117 -1.904 -25.824 6.325 1.00 0.00 O ATOM 0 H GLN A 117 -0.146 -26.305 3.934 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.320 -28.234 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 117 0.035 -28.818 4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.025 -27.639 6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.453 -29.973 6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -1.758 -28.867 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.771 -29.042 6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.201 -30.478 5.216 1.00 0.00 H new TER 1961 GLN A 117