USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 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 65 SER OG : rot 40:sc= 0.461 USER MOD Set 1.2: A 102 TYR OH : rot 163:sc= 0.41 USER MOD Set 2.1: A 57 THR OG1 : rot 97:sc= -1.96! USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0.216 USER MOD Set 3.1: A 37 GLN :FLIP amide:sc= 0.543 F(o=-2.4,f=-1.2) USER MOD Set 3.2: A 87 SER OG : rot -68:sc= -1.7! USER MOD Set 4.1: A 17 TYR OH : rot 67:sc= 0.904 USER MOD Set 4.2: A 26 HIS : no HE2:sc= -0.282 K(o=0.82,f=-3.7!) USER MOD Set 4.3: A 29 HIS : no HD1:sc= 0.202 K(o=0.82,f=-5.7!) USER MOD Single : A 1 MET CE :methyl -151:sc= 0 (180deg=-0.14) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0605 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.5! C(o=-1.5!,f=-4.6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.11 F(o=-1.8,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 16 HIS : no HD1:sc= -0.0079 X(o=-0.0079,f=-0.4) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.271 USER MOD Single : A 32 SER OG : rot 34:sc= 0.128 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 64:sc= 0.299 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0645) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.24) USER MOD Single : A 47 LYS NZ :NH3+ -119:sc= -0.224 (180deg=-1.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 38:sc= 0.305 USER MOD Single : A 58 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.26) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= -0.647 (180deg=-1) USER MOD Single : A 77 MET CE :methyl 161:sc= 0 (180deg=-0.468) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.316 K(o=-0.32,f=-7.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.07 K(o=-1.1,f=-6.6!) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0554 F(o=-1.9!,f=-0.055) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 103 SER OG : rot 180:sc=-0.00499 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.516 -28.565 3.314 1.00 0.00 N ATOM 2 CA MET A 1 21.061 -28.661 3.089 1.00 0.00 C ATOM 3 C MET A 1 20.465 -27.259 2.878 1.00 0.00 C ATOM 4 O MET A 1 21.000 -26.269 3.382 1.00 0.00 O ATOM 5 CB MET A 1 20.385 -29.400 4.274 1.00 0.00 C ATOM 6 CG MET A 1 18.879 -29.662 4.093 1.00 0.00 C ATOM 7 SD MET A 1 18.522 -30.544 2.555 1.00 0.00 S ATOM 8 CE MET A 1 16.733 -30.647 2.601 1.00 0.00 C ATOM 0 H1 MET A 1 22.777 -29.136 4.143 1.00 0.00 H new ATOM 0 H2 MET A 1 23.021 -28.919 2.477 1.00 0.00 H new ATOM 0 H3 MET A 1 22.777 -27.572 3.481 1.00 0.00 H new ATOM 0 HA MET A 1 20.872 -29.241 2.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.890 -30.354 4.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.532 -28.814 5.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.508 -30.243 4.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.343 -28.713 4.099 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.406 -31.539 2.067 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.398 -30.701 3.637 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.305 -29.763 2.127 1.00 0.00 H new ATOM 20 N ILE A 2 19.374 -27.193 2.092 1.00 0.00 N ATOM 21 CA ILE A 2 18.633 -25.954 1.791 1.00 0.00 C ATOM 22 C ILE A 2 17.161 -26.112 2.253 1.00 0.00 C ATOM 23 O ILE A 2 16.665 -27.239 2.361 1.00 0.00 O ATOM 24 CB ILE A 2 18.680 -25.658 0.232 1.00 0.00 C ATOM 25 CG1 ILE A 2 20.146 -25.509 -0.297 1.00 0.00 C ATOM 26 CG2 ILE A 2 17.854 -24.412 -0.154 1.00 0.00 C ATOM 27 CD1 ILE A 2 20.912 -24.316 0.251 1.00 0.00 C ATOM 0 H ILE A 2 18.975 -28.016 1.640 1.00 0.00 H new ATOM 0 HA ILE A 2 19.093 -25.120 2.321 1.00 0.00 H new ATOM 0 HB ILE A 2 18.229 -26.527 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 2 20.697 -26.417 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 2 20.117 -25.434 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.918 -24.252 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 2 16.812 -24.564 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 2 18.248 -23.539 0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.915 -24.301 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 2 20.391 -23.396 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.980 -24.394 1.336 1.00 0.00 H new ATOM 39 N GLU A 3 16.477 -24.989 2.532 1.00 0.00 N ATOM 40 CA GLU A 3 15.008 -24.956 2.714 1.00 0.00 C ATOM 41 C GLU A 3 14.413 -23.854 1.807 1.00 0.00 C ATOM 42 O GLU A 3 15.098 -22.870 1.521 1.00 0.00 O ATOM 43 CB GLU A 3 14.620 -24.685 4.196 1.00 0.00 C ATOM 44 CG GLU A 3 14.904 -23.249 4.692 1.00 0.00 C ATOM 45 CD GLU A 3 14.197 -22.897 6.007 1.00 0.00 C ATOM 46 OE1 GLU A 3 12.951 -22.833 6.011 1.00 0.00 O ATOM 47 OE2 GLU A 3 14.867 -22.675 7.038 1.00 0.00 O ATOM 0 H GLU A 3 16.922 -24.078 2.638 1.00 0.00 H new ATOM 0 HA GLU A 3 14.604 -25.931 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.558 -24.894 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.160 -25.387 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.979 -23.126 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.594 -22.541 3.923 1.00 0.00 H new ATOM 54 N PRO A 4 13.150 -24.004 1.318 1.00 0.00 N ATOM 55 CA PRO A 4 12.423 -22.890 0.656 1.00 0.00 C ATOM 56 C PRO A 4 11.909 -21.854 1.693 1.00 0.00 C ATOM 57 O PRO A 4 11.262 -22.231 2.677 1.00 0.00 O ATOM 58 CB PRO A 4 11.255 -23.621 -0.057 1.00 0.00 C ATOM 59 CG PRO A 4 11.005 -24.860 0.756 1.00 0.00 C ATOM 60 CD PRO A 4 12.350 -25.272 1.320 1.00 0.00 C ATOM 0 HA PRO A 4 13.044 -22.311 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.365 -22.993 -0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.517 -23.872 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.291 -24.664 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.582 -25.652 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.252 -25.680 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.820 -26.041 0.708 1.00 0.00 H new ATOM 68 N ILE A 5 12.217 -20.559 1.481 1.00 0.00 N ATOM 69 CA ILE A 5 11.745 -19.456 2.362 1.00 0.00 C ATOM 70 C ILE A 5 11.033 -18.375 1.534 1.00 0.00 C ATOM 71 O ILE A 5 11.091 -18.383 0.299 1.00 0.00 O ATOM 72 CB ILE A 5 12.918 -18.782 3.182 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.996 -18.186 2.230 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.540 -19.774 4.185 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.177 -17.528 2.918 1.00 0.00 C ATOM 0 H ILE A 5 12.795 -20.243 0.702 1.00 0.00 H new ATOM 0 HA ILE A 5 11.053 -19.907 3.073 1.00 0.00 H new ATOM 0 HB ILE A 5 12.493 -17.959 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.369 -18.983 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.518 -17.451 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.343 -19.282 4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.776 -20.111 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.942 -20.632 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.869 -17.146 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.824 -16.704 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.688 -18.260 3.543 1.00 0.00 H new ATOM 87 N LYS A 6 10.358 -17.457 2.236 1.00 0.00 N ATOM 88 CA LYS A 6 9.718 -16.283 1.629 1.00 0.00 C ATOM 89 C LYS A 6 9.576 -15.167 2.683 1.00 0.00 C ATOM 90 O LYS A 6 9.345 -15.441 3.867 1.00 0.00 O ATOM 91 CB LYS A 6 8.334 -16.606 0.981 1.00 0.00 C ATOM 92 CG LYS A 6 7.169 -16.866 1.964 1.00 0.00 C ATOM 93 CD LYS A 6 7.215 -18.252 2.649 1.00 0.00 C ATOM 94 CE LYS A 6 6.914 -19.393 1.668 1.00 0.00 C ATOM 95 NZ LYS A 6 6.833 -20.709 2.351 1.00 0.00 N ATOM 0 H LYS A 6 10.240 -17.508 3.248 1.00 0.00 H new ATOM 0 HA LYS A 6 10.363 -15.947 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.057 -15.776 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.449 -17.484 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.177 -16.093 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.226 -16.770 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.200 -18.405 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.493 -18.276 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.973 -19.192 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.691 -19.428 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.628 -21.451 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.739 -20.914 2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.075 -20.685 3.062 1.00 0.00 H new ATOM 109 N ARG A 7 9.755 -13.916 2.240 1.00 0.00 N ATOM 110 CA ARG A 7 9.566 -12.713 3.065 1.00 0.00 C ATOM 111 C ARG A 7 8.245 -12.040 2.640 1.00 0.00 C ATOM 112 O ARG A 7 7.749 -12.280 1.536 1.00 0.00 O ATOM 113 CB ARG A 7 10.764 -11.739 2.876 1.00 0.00 C ATOM 114 CG ARG A 7 10.873 -10.616 3.940 1.00 0.00 C ATOM 115 CD ARG A 7 11.392 -11.108 5.292 1.00 0.00 C ATOM 116 NE ARG A 7 12.774 -11.609 5.189 1.00 0.00 N ATOM 117 CZ ARG A 7 13.410 -12.330 6.127 1.00 0.00 C ATOM 118 NH1 ARG A 7 12.804 -12.662 7.263 1.00 0.00 N ATOM 119 NH2 ARG A 7 14.664 -12.711 5.918 1.00 0.00 N ATOM 0 H ARG A 7 10.040 -13.707 1.283 1.00 0.00 H new ATOM 0 HA ARG A 7 9.520 -12.982 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.688 -12.318 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.686 -11.279 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.536 -9.835 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.892 -10.161 4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.352 -10.295 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.743 -11.900 5.666 1.00 0.00 H new ATOM 0 HE ARG A 7 13.289 -11.391 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.842 -12.369 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.301 -13.210 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.137 -12.456 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.155 -13.259 6.625 1.00 0.00 H new ATOM 133 N THR A 8 7.700 -11.178 3.504 1.00 0.00 N ATOM 134 CA THR A 8 6.396 -10.539 3.295 1.00 0.00 C ATOM 135 C THR A 8 6.533 -9.023 3.511 1.00 0.00 C ATOM 136 O THR A 8 6.736 -8.579 4.642 1.00 0.00 O ATOM 137 CB THR A 8 5.355 -11.138 4.302 1.00 0.00 C ATOM 138 OG1 THR A 8 5.403 -12.574 4.248 1.00 0.00 O ATOM 139 CG2 THR A 8 3.927 -10.664 4.014 1.00 0.00 C ATOM 0 H THR A 8 8.154 -10.902 4.374 1.00 0.00 H new ATOM 0 HA THR A 8 6.051 -10.724 2.278 1.00 0.00 H new ATOM 0 HB THR A 8 5.624 -10.786 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.753 -12.947 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.244 -11.107 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.882 -9.578 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.638 -10.970 3.009 1.00 0.00 H new ATOM 147 N GLN A 9 6.462 -8.240 2.426 1.00 0.00 N ATOM 148 CA GLN A 9 6.475 -6.770 2.506 1.00 0.00 C ATOM 149 C GLN A 9 5.109 -6.247 2.075 1.00 0.00 C ATOM 150 O GLN A 9 4.696 -6.469 0.936 1.00 0.00 O ATOM 151 CB GLN A 9 7.585 -6.177 1.599 1.00 0.00 C ATOM 152 CG GLN A 9 7.782 -4.660 1.746 1.00 0.00 C ATOM 153 CD GLN A 9 8.162 -4.267 3.170 1.00 0.00 C ATOM 154 OE1 GLN A 9 7.302 -4.041 4.014 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.442 -4.200 3.455 1.00 0.00 N ATOM 0 H GLN A 9 6.394 -8.602 1.475 1.00 0.00 H new ATOM 0 HA GLN A 9 6.685 -6.466 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.527 -6.677 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.346 -6.401 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.560 -4.327 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.864 -4.146 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.136 -4.393 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.742 -3.955 4.398 1.00 0.00 H new ATOM 164 N VAL A 10 4.401 -5.571 2.982 1.00 0.00 N ATOM 165 CA VAL A 10 3.093 -4.983 2.676 1.00 0.00 C ATOM 166 C VAL A 10 3.231 -3.473 2.451 1.00 0.00 C ATOM 167 O VAL A 10 3.936 -2.780 3.202 1.00 0.00 O ATOM 168 CB VAL A 10 2.024 -5.298 3.789 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.830 -6.823 3.922 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.377 -4.659 5.152 1.00 0.00 C ATOM 0 H VAL A 10 4.713 -5.416 3.941 1.00 0.00 H new ATOM 0 HA VAL A 10 2.730 -5.442 1.757 1.00 0.00 H new ATOM 0 HB VAL A 10 1.083 -4.846 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.089 -7.030 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.486 -7.230 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.777 -7.288 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.606 -4.909 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.339 -5.041 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.435 -3.576 5.042 1.00 0.00 H new ATOM 180 N VAL A 11 2.585 -2.978 1.385 1.00 0.00 N ATOM 181 CA VAL A 11 2.492 -1.544 1.109 1.00 0.00 C ATOM 182 C VAL A 11 1.187 -1.050 1.730 1.00 0.00 C ATOM 183 O VAL A 11 0.098 -1.410 1.274 1.00 0.00 O ATOM 184 CB VAL A 11 2.549 -1.240 -0.430 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.387 0.268 -0.719 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.864 -1.777 -1.032 1.00 0.00 C ATOM 0 H VAL A 11 2.115 -3.562 0.694 1.00 0.00 H new ATOM 0 HA VAL A 11 3.344 -1.021 1.544 1.00 0.00 H new ATOM 0 HB VAL A 11 1.712 -1.752 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.432 0.439 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.425 0.610 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.189 0.820 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.891 -1.560 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.711 -1.297 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.920 -2.855 -0.880 1.00 0.00 H new ATOM 196 N THR A 12 1.316 -0.281 2.809 1.00 0.00 N ATOM 197 CA THR A 12 0.190 0.141 3.638 1.00 0.00 C ATOM 198 C THR A 12 -0.302 1.529 3.181 1.00 0.00 C ATOM 199 O THR A 12 0.283 2.549 3.533 1.00 0.00 O ATOM 200 CB THR A 12 0.686 0.179 5.126 1.00 0.00 C ATOM 201 OG1 THR A 12 1.274 -1.094 5.465 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.418 0.508 6.131 1.00 0.00 C ATOM 0 H THR A 12 2.216 0.071 3.136 1.00 0.00 H new ATOM 0 HA THR A 12 -0.647 -0.551 3.546 1.00 0.00 H new ATOM 0 HB THR A 12 1.419 0.983 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.587 -1.073 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.002 0.517 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.837 1.488 5.903 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.203 -0.246 6.069 1.00 0.00 H new ATOM 210 N GLN A 13 -1.374 1.549 2.378 1.00 0.00 N ATOM 211 CA GLN A 13 -1.978 2.791 1.877 1.00 0.00 C ATOM 212 C GLN A 13 -3.161 3.192 2.771 1.00 0.00 C ATOM 213 O GLN A 13 -4.273 2.663 2.644 1.00 0.00 O ATOM 214 CB GLN A 13 -2.410 2.633 0.397 1.00 0.00 C ATOM 215 CG GLN A 13 -2.983 3.916 -0.240 1.00 0.00 C ATOM 216 CD GLN A 13 -3.280 3.803 -1.741 1.00 0.00 C ATOM 217 OE1 GLN A 13 -2.454 3.071 -2.479 1.00 0.00 O flip ATOM 218 NE2 GLN A 13 -4.220 4.424 -2.243 1.00 0.00 N flip ATOM 0 H GLN A 13 -1.847 0.704 2.057 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.236 3.589 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.550 2.305 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.159 1.844 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.902 4.185 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.277 4.731 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.839 4.978 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.379 4.383 -3.250 1.00 0.00 H new ATOM 227 N THR A 14 -2.884 4.102 3.702 1.00 0.00 N ATOM 228 CA THR A 14 -3.867 4.625 4.651 1.00 0.00 C ATOM 229 C THR A 14 -4.511 5.897 4.074 1.00 0.00 C ATOM 230 O THR A 14 -3.826 6.705 3.452 1.00 0.00 O ATOM 231 CB THR A 14 -3.171 4.957 6.007 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.435 3.807 6.462 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.178 5.391 7.092 1.00 0.00 C ATOM 0 H THR A 14 -1.954 4.504 3.821 1.00 0.00 H new ATOM 0 HA THR A 14 -4.638 3.873 4.821 1.00 0.00 H new ATOM 0 HB THR A 14 -2.496 5.796 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.996 4.015 7.313 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.644 5.611 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.710 6.282 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.892 4.587 7.268 1.00 0.00 H new ATOM 241 N ILE A 15 -5.829 6.051 4.241 1.00 0.00 N ATOM 242 CA ILE A 15 -6.540 7.299 3.911 1.00 0.00 C ATOM 243 C ILE A 15 -7.271 7.819 5.173 1.00 0.00 C ATOM 244 O ILE A 15 -7.807 7.035 5.976 1.00 0.00 O ATOM 245 CB ILE A 15 -7.532 7.139 2.678 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.794 7.224 1.291 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.694 8.165 2.714 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.029 5.979 0.869 1.00 0.00 C ATOM 0 H ILE A 15 -6.435 5.317 4.608 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.802 8.035 3.593 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.953 6.139 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.532 7.452 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.097 8.062 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.341 8.012 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.271 8.029 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.288 9.176 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.561 6.151 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.260 5.756 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.717 5.137 0.796 1.00 0.00 H new ATOM 260 N HIS A 16 -7.226 9.151 5.354 1.00 0.00 N ATOM 261 CA HIS A 16 -7.972 9.884 6.383 1.00 0.00 C ATOM 262 C HIS A 16 -9.118 10.638 5.702 1.00 0.00 C ATOM 263 O HIS A 16 -8.984 11.078 4.566 1.00 0.00 O ATOM 264 CB HIS A 16 -7.044 10.880 7.122 1.00 0.00 C ATOM 265 CG HIS A 16 -5.943 10.239 7.929 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.765 8.872 8.039 1.00 0.00 N ATOM 267 CD2 HIS A 16 -4.968 10.794 8.686 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.742 8.629 8.823 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.244 9.773 9.225 1.00 0.00 N ATOM 0 H HIS A 16 -6.653 9.761 4.771 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.367 9.184 7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.595 11.549 6.388 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.651 11.496 7.786 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.796 11.850 8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.372 7.651 9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.441 9.882 9.844 1.00 0.00 H new ATOM 278 N TYR A 17 -10.236 10.775 6.403 1.00 0.00 N ATOM 279 CA TYR A 17 -11.459 11.381 5.864 1.00 0.00 C ATOM 280 C TYR A 17 -11.703 12.664 6.648 1.00 0.00 C ATOM 281 O TYR A 17 -11.959 12.605 7.857 1.00 0.00 O ATOM 282 CB TYR A 17 -12.681 10.434 6.026 1.00 0.00 C ATOM 283 CG TYR A 17 -12.576 9.043 5.395 1.00 0.00 C ATOM 284 CD1 TYR A 17 -11.483 8.214 5.635 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.600 8.543 4.595 1.00 0.00 C ATOM 286 CE1 TYR A 17 -11.423 6.949 5.125 1.00 0.00 C ATOM 287 CE2 TYR A 17 -13.534 7.273 4.070 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.442 6.483 4.338 1.00 0.00 C ATOM 289 OH TYR A 17 -12.398 5.187 3.879 1.00 0.00 O ATOM 0 H TYR A 17 -10.326 10.468 7.371 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.337 11.575 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.872 10.308 7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.553 10.932 5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.665 8.580 6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.459 9.162 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.574 6.318 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.336 6.899 3.451 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.485 4.569 4.635 1.00 0.00 H new ATOM 299 N ARG A 18 -11.548 13.804 5.988 1.00 0.00 N ATOM 300 CA ARG A 18 -11.766 15.129 6.588 1.00 0.00 C ATOM 301 C ARG A 18 -12.734 15.919 5.729 1.00 0.00 C ATOM 302 O ARG A 18 -13.035 15.525 4.613 1.00 0.00 O ATOM 303 CB ARG A 18 -10.423 15.899 6.707 1.00 0.00 C ATOM 304 CG ARG A 18 -9.357 15.179 7.550 1.00 0.00 C ATOM 305 CD ARG A 18 -9.721 15.072 9.031 1.00 0.00 C ATOM 306 NE ARG A 18 -8.765 14.234 9.766 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.685 14.663 10.423 1.00 0.00 C ATOM 308 NH1 ARG A 18 -7.380 15.957 10.473 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.903 13.783 11.022 1.00 0.00 N ATOM 0 H ARG A 18 -11.264 13.843 5.009 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.183 15.000 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.025 16.070 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.616 16.878 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.203 14.177 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.410 15.710 7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.746 16.068 9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.723 14.654 9.130 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.943 13.230 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.976 16.640 10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.551 16.266 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.127 12.789 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.075 14.098 11.527 1.00 0.00 H new ATOM 323 N TYR A 19 -13.208 17.031 6.273 1.00 0.00 N ATOM 324 CA TYR A 19 -14.025 18.008 5.555 1.00 0.00 C ATOM 325 C TYR A 19 -13.163 19.240 5.254 1.00 0.00 C ATOM 326 O TYR A 19 -12.029 19.354 5.753 1.00 0.00 O ATOM 327 CB TYR A 19 -15.258 18.404 6.407 1.00 0.00 C ATOM 328 CG TYR A 19 -16.298 17.289 6.581 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.215 16.366 7.624 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.377 17.178 5.702 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.170 15.383 7.783 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.331 16.194 5.857 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.220 15.298 6.898 1.00 0.00 C ATOM 334 OH TYR A 19 -19.176 14.322 7.066 1.00 0.00 O ATOM 0 H TYR A 19 -13.034 17.287 7.245 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.385 17.576 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.916 18.721 7.392 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.741 19.265 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.390 16.422 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.467 17.877 4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.093 14.682 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.159 16.126 5.167 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.962 14.537 6.521 1.00 0.00 H new ATOM 344 N GLU A 20 -13.712 20.169 4.457 1.00 0.00 N ATOM 345 CA GLU A 20 -13.033 21.445 4.156 1.00 0.00 C ATOM 346 C GLU A 20 -13.001 22.350 5.408 1.00 0.00 C ATOM 347 O GLU A 20 -12.165 23.249 5.510 1.00 0.00 O ATOM 348 CB GLU A 20 -13.712 22.184 2.977 1.00 0.00 C ATOM 349 CG GLU A 20 -15.160 22.648 3.251 1.00 0.00 C ATOM 350 CD GLU A 20 -15.672 23.715 2.274 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.009 24.756 2.124 1.00 0.00 O ATOM 352 OE2 GLU A 20 -16.741 23.539 1.676 1.00 0.00 O ATOM 0 H GLU A 20 -14.622 20.064 4.009 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.009 21.213 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.110 23.054 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.714 21.527 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.822 21.783 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.218 23.042 4.266 1.00 0.00 H new ATOM 359 N ASP A 21 -13.940 22.093 6.349 1.00 0.00 N ATOM 360 CA ASP A 21 -14.033 22.811 7.636 1.00 0.00 C ATOM 361 C ASP A 21 -12.856 22.457 8.567 1.00 0.00 C ATOM 362 O ASP A 21 -12.480 23.256 9.428 1.00 0.00 O ATOM 363 CB ASP A 21 -15.389 22.445 8.316 1.00 0.00 C ATOM 364 CG ASP A 21 -15.601 23.103 9.698 1.00 0.00 C ATOM 365 OD1 ASP A 21 -16.072 24.262 9.753 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.319 22.462 10.737 1.00 0.00 O ATOM 0 H ASP A 21 -14.657 21.377 6.233 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.985 23.883 7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.205 22.740 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.446 21.362 8.429 1.00 0.00 H new ATOM 371 N GLY A 22 -12.227 21.293 8.320 1.00 0.00 N ATOM 372 CA GLY A 22 -11.200 20.753 9.216 1.00 0.00 C ATOM 373 C GLY A 22 -11.734 19.652 10.125 1.00 0.00 C ATOM 374 O GLY A 22 -10.969 19.057 10.887 1.00 0.00 O ATOM 0 H GLY A 22 -12.416 20.711 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.375 20.360 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.796 21.560 9.828 1.00 0.00 H new ATOM 378 N ALA A 23 -13.050 19.381 10.039 1.00 0.00 N ATOM 379 CA ALA A 23 -13.715 18.304 10.799 1.00 0.00 C ATOM 380 C ALA A 23 -13.303 16.920 10.264 1.00 0.00 C ATOM 381 O ALA A 23 -12.865 16.804 9.119 1.00 0.00 O ATOM 382 CB ALA A 23 -15.240 18.487 10.721 1.00 0.00 C ATOM 0 H ALA A 23 -13.685 19.905 9.438 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.402 18.361 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.731 17.692 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.513 19.453 11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.559 18.446 9.679 1.00 0.00 H new ATOM 388 N VAL A 24 -13.440 15.871 11.095 1.00 0.00 N ATOM 389 CA VAL A 24 -13.097 14.489 10.698 1.00 0.00 C ATOM 390 C VAL A 24 -14.380 13.705 10.370 1.00 0.00 C ATOM 391 O VAL A 24 -15.295 13.639 11.198 1.00 0.00 O ATOM 392 CB VAL A 24 -12.294 13.718 11.824 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.704 12.395 11.286 1.00 0.00 C ATOM 394 CG2 VAL A 24 -11.186 14.598 12.445 1.00 0.00 C ATOM 0 H VAL A 24 -13.787 15.953 12.051 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.456 14.559 9.819 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.005 13.477 12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.159 11.889 12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.512 11.753 10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.025 12.609 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.659 14.032 13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.482 14.899 11.669 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.634 15.485 12.892 1.00 0.00 H new ATOM 404 N ALA A 25 -14.452 13.143 9.149 1.00 0.00 N ATOM 405 CA ALA A 25 -15.514 12.195 8.768 1.00 0.00 C ATOM 406 C ALA A 25 -15.225 10.818 9.400 1.00 0.00 C ATOM 407 O ALA A 25 -16.118 10.200 9.997 1.00 0.00 O ATOM 408 CB ALA A 25 -15.643 12.103 7.235 1.00 0.00 C ATOM 0 H ALA A 25 -13.781 13.332 8.404 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.471 12.554 9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.433 11.397 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.888 13.085 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.699 11.761 6.810 1.00 0.00 H new ATOM 414 N HIS A 26 -13.954 10.365 9.259 1.00 0.00 N ATOM 415 CA HIS A 26 -13.437 9.141 9.917 1.00 0.00 C ATOM 416 C HIS A 26 -11.905 9.055 9.750 1.00 0.00 C ATOM 417 O HIS A 26 -11.338 9.681 8.855 1.00 0.00 O ATOM 418 CB HIS A 26 -14.118 7.849 9.371 1.00 0.00 C ATOM 419 CG HIS A 26 -14.052 6.697 10.335 1.00 0.00 C ATOM 420 ND1 HIS A 26 -12.907 5.963 10.550 1.00 0.00 N ATOM 421 CD2 HIS A 26 -14.966 6.214 11.211 1.00 0.00 C ATOM 422 CE1 HIS A 26 -13.115 5.095 11.513 1.00 0.00 C ATOM 423 NE2 HIS A 26 -14.353 5.224 11.932 1.00 0.00 N ATOM 0 H HIS A 26 -13.258 10.840 8.684 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.680 9.210 10.977 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.162 8.064 9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.639 7.560 8.435 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.031 6.076 10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.987 6.548 11.320 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.390 4.393 11.896 1.00 0.00 H new ATOM 432 N ASP A 27 -11.239 8.267 10.616 1.00 0.00 N ATOM 433 CA ASP A 27 -9.760 8.132 10.610 1.00 0.00 C ATOM 434 C ASP A 27 -9.319 6.673 10.382 1.00 0.00 C ATOM 435 O ASP A 27 -10.063 5.734 10.699 1.00 0.00 O ATOM 436 CB ASP A 27 -9.188 8.676 11.947 1.00 0.00 C ATOM 437 CG ASP A 27 -7.653 8.731 12.019 1.00 0.00 C ATOM 438 OD1 ASP A 27 -7.011 9.052 10.996 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.085 8.464 13.094 1.00 0.00 O ATOM 0 H ASP A 27 -11.701 7.709 11.335 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.365 8.717 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.581 9.679 12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.553 8.052 12.763 1.00 0.00 H new ATOM 444 N ASP A 28 -8.108 6.527 9.795 1.00 0.00 N ATOM 445 CA ASP A 28 -7.386 5.251 9.617 1.00 0.00 C ATOM 446 C ASP A 28 -8.235 4.179 8.911 1.00 0.00 C ATOM 447 O ASP A 28 -8.800 3.293 9.554 1.00 0.00 O ATOM 448 CB ASP A 28 -6.819 4.732 10.980 1.00 0.00 C ATOM 449 CG ASP A 28 -5.944 3.462 10.842 1.00 0.00 C ATOM 450 OD1 ASP A 28 -4.789 3.574 10.394 1.00 0.00 O ATOM 451 OD2 ASP A 28 -6.404 2.349 11.184 1.00 0.00 O ATOM 0 H ASP A 28 -7.592 7.323 9.421 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.544 5.455 8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.228 5.522 11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.650 4.520 11.653 1.00 0.00 H new ATOM 456 N HIS A 29 -8.383 4.318 7.590 1.00 0.00 N ATOM 457 CA HIS A 29 -8.956 3.265 6.734 1.00 0.00 C ATOM 458 C HIS A 29 -7.905 2.887 5.695 1.00 0.00 C ATOM 459 O HIS A 29 -7.571 3.680 4.810 1.00 0.00 O ATOM 460 CB HIS A 29 -10.290 3.700 6.080 1.00 0.00 C ATOM 461 CG HIS A 29 -11.478 3.744 7.013 1.00 0.00 C ATOM 462 ND1 HIS A 29 -12.712 4.206 6.630 1.00 0.00 N ATOM 463 CD2 HIS A 29 -11.629 3.348 8.300 1.00 0.00 C ATOM 464 CE1 HIS A 29 -13.557 4.099 7.631 1.00 0.00 C ATOM 465 NE2 HIS A 29 -12.929 3.576 8.658 1.00 0.00 N ATOM 0 H HIS A 29 -8.111 5.159 7.082 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.207 2.395 7.341 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.156 4.689 5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.516 3.016 5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.860 2.927 8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.596 4.393 7.612 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.341 3.374 9.569 1.00 0.00 H new ATOM 474 N VAL A 30 -7.399 1.654 5.818 1.00 0.00 N ATOM 475 CA VAL A 30 -6.157 1.213 5.187 1.00 0.00 C ATOM 476 C VAL A 30 -6.403 0.043 4.215 1.00 0.00 C ATOM 477 O VAL A 30 -7.221 -0.836 4.494 1.00 0.00 O ATOM 478 CB VAL A 30 -5.149 0.735 6.295 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.797 0.327 5.687 1.00 0.00 C ATOM 480 CG2 VAL A 30 -4.965 1.801 7.402 1.00 0.00 C ATOM 0 H VAL A 30 -7.852 0.925 6.369 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.749 2.055 4.628 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.583 -0.149 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.124 0.002 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.947 -0.490 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.360 1.179 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.261 1.433 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.579 2.720 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.925 2.002 7.877 1.00 0.00 H new ATOM 490 N VAL A 31 -5.689 0.064 3.075 1.00 0.00 N ATOM 491 CA VAL A 31 -5.543 -1.089 2.179 1.00 0.00 C ATOM 492 C VAL A 31 -4.037 -1.442 2.116 1.00 0.00 C ATOM 493 O VAL A 31 -3.207 -0.629 1.706 1.00 0.00 O ATOM 494 CB VAL A 31 -6.140 -0.807 0.739 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.549 0.469 0.090 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.975 -2.038 -0.186 1.00 0.00 C ATOM 0 H VAL A 31 -5.193 0.894 2.750 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.113 -1.933 2.568 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.206 -0.623 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.992 0.615 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.769 1.332 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.469 0.359 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.394 -1.815 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.916 -2.276 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.498 -2.891 0.246 1.00 0.00 H new ATOM 506 N SER A 32 -3.698 -2.639 2.591 1.00 0.00 N ATOM 507 CA SER A 32 -2.319 -3.147 2.624 1.00 0.00 C ATOM 508 C SER A 32 -2.197 -4.368 1.703 1.00 0.00 C ATOM 509 O SER A 32 -2.942 -5.341 1.861 1.00 0.00 O ATOM 510 CB SER A 32 -1.935 -3.501 4.078 1.00 0.00 C ATOM 511 OG SER A 32 -2.885 -4.376 4.676 1.00 0.00 O ATOM 0 H SER A 32 -4.380 -3.296 2.970 1.00 0.00 H new ATOM 0 HA SER A 32 -1.631 -2.381 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.951 -3.969 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.861 -2.587 4.667 1.00 0.00 H new ATOM 0 HG SER A 32 -3.251 -4.977 3.994 1.00 0.00 H new ATOM 517 N LEU A 33 -1.262 -4.311 0.740 1.00 0.00 N ATOM 518 CA LEU A 33 -1.067 -5.390 -0.252 1.00 0.00 C ATOM 519 C LEU A 33 0.207 -6.176 0.037 1.00 0.00 C ATOM 520 O LEU A 33 1.256 -5.587 0.265 1.00 0.00 O ATOM 521 CB LEU A 33 -1.025 -4.800 -1.670 1.00 0.00 C ATOM 522 CG LEU A 33 -2.366 -4.214 -2.185 1.00 0.00 C ATOM 523 CD1 LEU A 33 -2.183 -3.619 -3.577 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.491 -5.269 -2.172 1.00 0.00 C ATOM 0 H LEU A 33 -0.623 -3.524 0.625 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.909 -6.079 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.270 -4.014 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.699 -5.578 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.669 -3.417 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.132 -3.211 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.439 -2.824 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.847 -4.396 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.414 -4.821 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.213 -6.105 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.642 -5.628 -1.154 1.00 0.00 H new ATOM 536 N ILE A 34 0.091 -7.507 -0.022 1.00 0.00 N ATOM 537 CA ILE A 34 1.159 -8.447 0.323 1.00 0.00 C ATOM 538 C ILE A 34 2.050 -8.725 -0.911 1.00 0.00 C ATOM 539 O ILE A 34 1.554 -9.159 -1.963 1.00 0.00 O ATOM 540 CB ILE A 34 0.560 -9.801 0.897 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.156 -9.582 2.285 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.649 -10.902 1.010 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.497 -8.849 2.238 1.00 0.00 C ATOM 0 H ILE A 34 -0.769 -7.970 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 34 1.774 -7.995 1.101 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.192 -10.141 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.313 -10.556 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.518 -9.024 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.204 -11.815 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.069 -11.101 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.440 -10.564 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.896 -8.756 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.354 -7.856 1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.198 -9.412 1.621 1.00 0.00 H new ATOM 555 N PHE A 35 3.351 -8.441 -0.767 1.00 0.00 N ATOM 556 CA PHE A 35 4.382 -8.760 -1.764 1.00 0.00 C ATOM 557 C PHE A 35 5.290 -9.854 -1.196 1.00 0.00 C ATOM 558 O PHE A 35 6.113 -9.598 -0.304 1.00 0.00 O ATOM 559 CB PHE A 35 5.187 -7.486 -2.124 1.00 0.00 C ATOM 560 CG PHE A 35 4.355 -6.409 -2.820 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.520 -5.559 -2.088 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.409 -6.240 -4.203 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.772 -4.584 -2.716 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.659 -5.263 -4.826 1.00 0.00 C ATOM 565 CZ PHE A 35 2.844 -4.433 -4.081 1.00 0.00 C ATOM 0 H PHE A 35 3.723 -7.975 0.060 1.00 0.00 H new ATOM 0 HA PHE A 35 3.921 -9.125 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.616 -7.069 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.020 -7.764 -2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.460 -5.667 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.046 -6.882 -4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.130 -3.939 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.709 -5.147 -5.899 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.263 -3.665 -4.571 1.00 0.00 H new ATOM 575 N THR A 36 5.105 -11.082 -1.689 1.00 0.00 N ATOM 576 CA THR A 36 5.809 -12.260 -1.184 1.00 0.00 C ATOM 577 C THR A 36 7.086 -12.511 -2.003 1.00 0.00 C ATOM 578 O THR A 36 7.015 -12.982 -3.151 1.00 0.00 O ATOM 579 CB THR A 36 4.883 -13.512 -1.236 1.00 0.00 C ATOM 580 OG1 THR A 36 3.635 -13.215 -0.592 1.00 0.00 O ATOM 581 CG2 THR A 36 5.526 -14.742 -0.578 1.00 0.00 C ATOM 0 H THR A 36 4.460 -11.286 -2.452 1.00 0.00 H new ATOM 0 HA THR A 36 6.088 -12.076 -0.146 1.00 0.00 H new ATOM 0 HB THR A 36 4.718 -13.754 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.053 -14.003 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.841 -15.588 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.454 -14.988 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.740 -14.525 0.468 1.00 0.00 H new ATOM 589 N GLN A 37 8.246 -12.162 -1.425 1.00 0.00 N ATOM 590 CA GLN A 37 9.557 -12.406 -2.045 1.00 0.00 C ATOM 591 C GLN A 37 10.019 -13.816 -1.700 1.00 0.00 C ATOM 592 O GLN A 37 10.412 -14.074 -0.568 1.00 0.00 O ATOM 593 CB GLN A 37 10.589 -11.368 -1.554 1.00 0.00 C ATOM 594 CG GLN A 37 12.008 -11.528 -2.131 1.00 0.00 C ATOM 595 CD GLN A 37 12.974 -10.485 -1.577 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.052 -9.339 -2.223 1.00 0.00 O flip ATOM 597 NE2 GLN A 37 13.624 -10.696 -0.553 1.00 0.00 N flip ATOM 0 H GLN A 37 8.301 -11.703 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 37 9.467 -12.308 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.224 -10.371 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.648 -11.424 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.382 -12.526 -1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.969 -11.444 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.544 -11.593 -0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.243 -9.974 -0.184 1.00 0.00 H new ATOM 606 N SER A 38 9.927 -14.729 -2.661 1.00 0.00 N ATOM 607 CA SER A 38 10.409 -16.101 -2.494 1.00 0.00 C ATOM 608 C SER A 38 11.954 -16.151 -2.492 1.00 0.00 C ATOM 609 O SER A 38 12.629 -15.192 -2.906 1.00 0.00 O ATOM 610 CB SER A 38 9.824 -16.982 -3.616 1.00 0.00 C ATOM 611 OG SER A 38 10.084 -16.428 -4.901 1.00 0.00 O ATOM 0 H SER A 38 9.518 -14.542 -3.576 1.00 0.00 H new ATOM 0 HA SER A 38 10.075 -16.484 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.253 -17.982 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.748 -17.087 -3.474 1.00 0.00 H new ATOM 0 HG SER A 38 11.050 -16.417 -5.063 1.00 0.00 H new ATOM 617 N GLY A 39 12.483 -17.275 -2.016 1.00 0.00 N ATOM 618 CA GLY A 39 13.913 -17.514 -1.958 1.00 0.00 C ATOM 619 C GLY A 39 14.203 -18.860 -1.329 1.00 0.00 C ATOM 620 O GLY A 39 13.324 -19.730 -1.278 1.00 0.00 O ATOM 0 H GLY A 39 11.923 -18.049 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.334 -17.478 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.396 -16.725 -1.381 1.00 0.00 H new ATOM 624 N LYS A 40 15.421 -19.025 -0.808 1.00 0.00 N ATOM 625 CA LYS A 40 15.856 -20.274 -0.169 1.00 0.00 C ATOM 626 C LYS A 40 16.966 -19.982 0.861 1.00 0.00 C ATOM 627 O LYS A 40 17.838 -19.147 0.614 1.00 0.00 O ATOM 628 CB LYS A 40 16.284 -21.317 -1.252 1.00 0.00 C ATOM 629 CG LYS A 40 17.411 -20.883 -2.233 1.00 0.00 C ATOM 630 CD LYS A 40 18.843 -21.142 -1.703 1.00 0.00 C ATOM 631 CE LYS A 40 19.930 -20.739 -2.706 1.00 0.00 C ATOM 632 NZ LYS A 40 19.872 -21.519 -3.970 1.00 0.00 N ATOM 0 H LYS A 40 16.136 -18.297 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 40 15.025 -20.718 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.608 -22.224 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.404 -21.579 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.282 -21.414 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.301 -19.820 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.988 -20.588 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.951 -22.200 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.830 -19.678 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.909 -20.875 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.689 -21.276 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.893 -22.536 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.993 -21.292 -4.478 1.00 0.00 H new ATOM 646 N ARG A 41 16.909 -20.654 2.021 1.00 0.00 N ATOM 647 CA ARG A 41 17.888 -20.473 3.104 1.00 0.00 C ATOM 648 C ARG A 41 18.874 -21.642 3.093 1.00 0.00 C ATOM 649 O ARG A 41 18.462 -22.811 3.070 1.00 0.00 O ATOM 650 CB ARG A 41 17.185 -20.417 4.489 1.00 0.00 C ATOM 651 CG ARG A 41 18.113 -20.080 5.681 1.00 0.00 C ATOM 652 CD ARG A 41 17.474 -20.407 7.043 1.00 0.00 C ATOM 653 NE ARG A 41 16.111 -19.852 7.186 1.00 0.00 N ATOM 654 CZ ARG A 41 15.800 -18.689 7.780 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.744 -17.905 8.304 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.533 -18.307 7.829 1.00 0.00 N ATOM 0 H ARG A 41 16.183 -21.338 2.235 1.00 0.00 H new ATOM 0 HA ARG A 41 18.411 -19.531 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.389 -19.673 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.711 -21.380 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.045 -20.636 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.368 -19.021 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.436 -21.489 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.106 -20.014 7.839 1.00 0.00 H new ATOM 0 HE ARG A 41 15.342 -20.399 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.724 -18.186 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.486 -17.025 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.807 -18.894 7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.283 -17.426 8.277 1.00 0.00 H new ATOM 670 N ASP A 42 20.163 -21.320 3.106 1.00 0.00 N ATOM 671 CA ASP A 42 21.230 -22.296 3.318 1.00 0.00 C ATOM 672 C ASP A 42 21.293 -22.633 4.813 1.00 0.00 C ATOM 673 O ASP A 42 21.535 -21.751 5.637 1.00 0.00 O ATOM 674 CB ASP A 42 22.566 -21.722 2.818 1.00 0.00 C ATOM 675 CG ASP A 42 23.750 -22.663 3.056 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.814 -23.732 2.407 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.618 -22.335 3.887 1.00 0.00 O ATOM 0 H ASP A 42 20.501 -20.367 2.969 1.00 0.00 H new ATOM 0 HA ASP A 42 21.030 -23.209 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.487 -21.509 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.757 -20.773 3.319 1.00 0.00 H new ATOM 682 N LEU A 43 21.060 -23.905 5.143 1.00 0.00 N ATOM 683 CA LEU A 43 20.871 -24.354 6.533 1.00 0.00 C ATOM 684 C LEU A 43 22.196 -24.590 7.282 1.00 0.00 C ATOM 685 O LEU A 43 22.179 -24.789 8.499 1.00 0.00 O ATOM 686 CB LEU A 43 19.982 -25.634 6.553 1.00 0.00 C ATOM 687 CG LEU A 43 18.540 -25.455 5.984 1.00 0.00 C ATOM 688 CD1 LEU A 43 17.730 -26.759 6.083 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.804 -24.303 6.687 1.00 0.00 C ATOM 0 H LEU A 43 20.996 -24.657 4.457 1.00 0.00 H new ATOM 0 HA LEU A 43 20.368 -23.548 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 43 20.485 -26.415 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.907 -25.988 7.581 1.00 0.00 H new ATOM 0 HG LEU A 43 18.637 -25.201 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.731 -26.598 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.231 -27.542 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.654 -27.062 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.802 -24.203 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.733 -24.514 7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.354 -23.374 6.537 1.00 0.00 H new ATOM 701 N THR A 44 23.345 -24.555 6.576 1.00 0.00 N ATOM 702 CA THR A 44 24.667 -24.809 7.209 1.00 0.00 C ATOM 703 C THR A 44 25.360 -23.485 7.627 1.00 0.00 C ATOM 704 O THR A 44 26.121 -23.462 8.606 1.00 0.00 O ATOM 705 CB THR A 44 25.608 -25.688 6.312 1.00 0.00 C ATOM 706 OG1 THR A 44 26.846 -25.971 6.995 1.00 0.00 O ATOM 707 CG2 THR A 44 25.910 -25.055 4.949 1.00 0.00 C ATOM 0 H THR A 44 23.391 -24.356 5.577 1.00 0.00 H new ATOM 0 HA THR A 44 24.471 -25.385 8.113 1.00 0.00 H new ATOM 0 HB THR A 44 25.064 -26.614 6.126 1.00 0.00 H new ATOM 0 HG1 THR A 44 27.418 -26.521 6.420 1.00 0.00 H new ATOM 0 HG21 THR A 44 26.565 -25.714 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.979 -24.908 4.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 26.401 -24.093 5.095 1.00 0.00 H new ATOM 715 N ASN A 45 25.098 -22.385 6.886 1.00 0.00 N ATOM 716 CA ASN A 45 25.621 -21.033 7.231 1.00 0.00 C ATOM 717 C ASN A 45 24.516 -20.186 7.890 1.00 0.00 C ATOM 718 O ASN A 45 24.799 -19.304 8.709 1.00 0.00 O ATOM 719 CB ASN A 45 26.128 -20.285 5.963 1.00 0.00 C ATOM 720 CG ASN A 45 27.311 -20.955 5.263 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.178 -21.558 5.900 1.00 0.00 O ATOM 722 ND2 ASN A 45 27.343 -20.870 3.937 1.00 0.00 N ATOM 0 H ASN A 45 24.526 -22.402 6.042 1.00 0.00 H new ATOM 0 HA ASN A 45 26.452 -21.171 7.923 1.00 0.00 H new ATOM 0 HB2 ASN A 45 25.304 -20.198 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.415 -19.272 6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 45 28.101 -21.311 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 45 26.610 -20.364 3.441 1.00 0.00 H new ATOM 729 N GLY A 46 23.254 -20.457 7.499 1.00 0.00 N ATOM 730 CA GLY A 46 22.101 -19.656 7.941 1.00 0.00 C ATOM 731 C GLY A 46 21.824 -18.478 7.008 1.00 0.00 C ATOM 732 O GLY A 46 20.917 -17.674 7.260 1.00 0.00 O ATOM 0 H GLY A 46 23.010 -21.227 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.217 -20.292 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.285 -19.284 8.949 1.00 0.00 H new ATOM 736 N LYS A 47 22.617 -18.380 5.920 1.00 0.00 N ATOM 737 CA LYS A 47 22.514 -17.287 4.944 1.00 0.00 C ATOM 738 C LYS A 47 21.233 -17.467 4.092 1.00 0.00 C ATOM 739 O LYS A 47 20.900 -18.585 3.693 1.00 0.00 O ATOM 740 CB LYS A 47 23.802 -17.243 4.053 1.00 0.00 C ATOM 741 CG LYS A 47 24.046 -18.504 3.209 1.00 0.00 C ATOM 742 CD LYS A 47 25.321 -18.454 2.336 1.00 0.00 C ATOM 743 CE LYS A 47 25.250 -17.460 1.157 1.00 0.00 C ATOM 744 NZ LYS A 47 25.499 -16.046 1.554 1.00 0.00 N ATOM 0 H LYS A 47 23.345 -19.059 5.698 1.00 0.00 H new ATOM 0 HA LYS A 47 22.439 -16.333 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.736 -16.384 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.667 -17.081 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.110 -19.365 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.184 -18.665 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.169 -18.189 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.516 -19.452 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.981 -17.751 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.267 -17.530 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.660 -15.472 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.695 -16.001 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.317 -15.677 1.028 1.00 0.00 H new ATOM 758 N GLU A 48 20.501 -16.367 3.851 1.00 0.00 N ATOM 759 CA GLU A 48 19.239 -16.371 3.076 1.00 0.00 C ATOM 760 C GLU A 48 19.475 -15.775 1.685 1.00 0.00 C ATOM 761 O GLU A 48 19.852 -14.601 1.559 1.00 0.00 O ATOM 762 CB GLU A 48 18.148 -15.574 3.829 1.00 0.00 C ATOM 763 CG GLU A 48 17.724 -16.213 5.165 1.00 0.00 C ATOM 764 CD GLU A 48 16.735 -15.347 5.958 1.00 0.00 C ATOM 765 OE1 GLU A 48 17.180 -14.376 6.606 1.00 0.00 O ATOM 766 OE2 GLU A 48 15.518 -15.628 5.949 1.00 0.00 O ATOM 0 H GLU A 48 20.766 -15.442 4.189 1.00 0.00 H new ATOM 0 HA GLU A 48 18.898 -17.400 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.514 -14.565 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.272 -15.480 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.271 -17.185 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.611 -16.392 5.773 1.00 0.00 H new ATOM 773 N ILE A 49 19.243 -16.596 0.655 1.00 0.00 N ATOM 774 CA ILE A 49 19.469 -16.234 -0.745 1.00 0.00 C ATOM 775 C ILE A 49 18.102 -16.031 -1.422 1.00 0.00 C ATOM 776 O ILE A 49 17.369 -16.997 -1.672 1.00 0.00 O ATOM 777 CB ILE A 49 20.296 -17.318 -1.546 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.666 -17.665 -0.861 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.516 -16.853 -3.010 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.575 -18.629 0.319 1.00 0.00 C ATOM 0 H ILE A 49 18.888 -17.545 0.774 1.00 0.00 H new ATOM 0 HA ILE A 49 20.062 -15.320 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 49 19.707 -18.235 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.331 -18.095 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.128 -16.739 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 49 21.087 -17.609 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.551 -16.712 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 49 21.066 -15.912 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.572 -18.805 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.941 -18.197 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.147 -19.574 -0.015 1.00 0.00 H new ATOM 792 N TRP A 50 17.774 -14.773 -1.700 1.00 0.00 N ATOM 793 CA TRP A 50 16.493 -14.373 -2.307 1.00 0.00 C ATOM 794 C TRP A 50 16.658 -14.232 -3.823 1.00 0.00 C ATOM 795 O TRP A 50 17.790 -14.191 -4.327 1.00 0.00 O ATOM 796 CB TRP A 50 16.033 -13.039 -1.668 1.00 0.00 C ATOM 797 CG TRP A 50 15.974 -13.112 -0.155 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.933 -12.721 0.744 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.906 -13.645 0.623 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.516 -12.980 2.024 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.273 -13.541 1.977 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.679 -14.195 0.301 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.446 -13.963 3.000 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.861 -14.613 1.315 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.243 -14.499 2.655 1.00 0.00 C ATOM 0 H TRP A 50 18.394 -13.986 -1.510 1.00 0.00 H new ATOM 0 HA TRP A 50 15.734 -15.133 -2.123 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.716 -12.243 -1.964 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.049 -12.775 -2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.880 -12.274 0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.048 -12.785 2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.372 -14.293 -0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.743 -13.871 4.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.899 -15.041 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.573 -14.842 3.429 1.00 0.00 H new ATOM 816 N ASP A 51 15.535 -14.176 -4.549 1.00 0.00 N ATOM 817 CA ASP A 51 15.548 -13.880 -5.989 1.00 0.00 C ATOM 818 C ASP A 51 15.811 -12.378 -6.178 1.00 0.00 C ATOM 819 O ASP A 51 14.981 -11.558 -5.790 1.00 0.00 O ATOM 820 CB ASP A 51 14.206 -14.279 -6.655 1.00 0.00 C ATOM 821 CG ASP A 51 13.899 -15.778 -6.523 1.00 0.00 C ATOM 822 OD1 ASP A 51 14.535 -16.591 -7.230 1.00 0.00 O ATOM 823 OD2 ASP A 51 13.034 -16.156 -5.709 1.00 0.00 O ATOM 0 H ASP A 51 14.604 -14.332 -4.163 1.00 0.00 H new ATOM 0 HA ASP A 51 16.336 -14.461 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.397 -13.706 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.236 -14.010 -7.711 1.00 0.00 H new ATOM 828 N SER A 52 16.972 -12.028 -6.755 1.00 0.00 N ATOM 829 CA SER A 52 17.375 -10.615 -6.960 1.00 0.00 C ATOM 830 C SER A 52 16.604 -9.974 -8.135 1.00 0.00 C ATOM 831 O SER A 52 16.454 -8.751 -8.198 1.00 0.00 O ATOM 832 CB SER A 52 18.900 -10.542 -7.191 1.00 0.00 C ATOM 833 OG SER A 52 19.601 -11.160 -6.121 1.00 0.00 O ATOM 0 H SER A 52 17.657 -12.705 -7.092 1.00 0.00 H new ATOM 0 HA SER A 52 17.124 -10.047 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.154 -11.033 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.210 -9.501 -7.282 1.00 0.00 H new ATOM 0 HG SER A 52 20.565 -11.105 -6.287 1.00 0.00 H new ATOM 839 N LYS A 53 16.124 -10.834 -9.054 1.00 0.00 N ATOM 840 CA LYS A 53 15.283 -10.429 -10.197 1.00 0.00 C ATOM 841 C LYS A 53 13.793 -10.373 -9.806 1.00 0.00 C ATOM 842 O LYS A 53 12.960 -9.995 -10.648 1.00 0.00 O ATOM 843 CB LYS A 53 15.453 -11.416 -11.384 1.00 0.00 C ATOM 844 CG LYS A 53 16.841 -11.422 -12.051 1.00 0.00 C ATOM 845 CD LYS A 53 16.948 -12.463 -13.191 1.00 0.00 C ATOM 846 CE LYS A 53 15.891 -12.271 -14.299 1.00 0.00 C ATOM 847 NZ LYS A 53 15.983 -10.930 -14.946 1.00 0.00 N ATOM 0 H LYS A 53 16.310 -11.836 -9.024 1.00 0.00 H new ATOM 0 HA LYS A 53 15.610 -9.434 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.236 -12.424 -11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.707 -11.177 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.053 -10.430 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.601 -11.633 -11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.942 -12.405 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.845 -13.463 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.017 -13.046 -15.055 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.895 -12.399 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.253 -10.849 -15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.837 -10.189 -14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.923 -10.816 -15.376 1.00 0.00 H new ATOM 861 N TRP A 54 13.458 -10.769 -8.546 1.00 0.00 N ATOM 862 CA TRP A 54 12.069 -10.749 -8.060 1.00 0.00 C ATOM 863 C TRP A 54 11.524 -9.315 -8.111 1.00 0.00 C ATOM 864 O TRP A 54 12.159 -8.372 -7.629 1.00 0.00 O ATOM 865 CB TRP A 54 11.947 -11.336 -6.622 1.00 0.00 C ATOM 866 CG TRP A 54 10.548 -11.305 -6.035 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.612 -12.297 -6.082 1.00 0.00 C ATOM 868 CD2 TRP A 54 9.933 -10.214 -5.326 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.468 -11.893 -5.443 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.639 -10.618 -4.978 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.362 -8.939 -4.954 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.765 -9.793 -4.281 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.498 -8.122 -4.270 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.211 -8.552 -3.934 1.00 0.00 C ATOM 0 H TRP A 54 14.135 -11.103 -7.860 1.00 0.00 H new ATOM 0 HA TRP A 54 11.472 -11.385 -8.714 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.296 -12.368 -6.636 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.615 -10.782 -5.962 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.752 -13.259 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.624 -12.454 -5.332 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.358 -8.601 -5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.769 -10.122 -4.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.817 -7.130 -3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.557 -7.888 -3.389 1.00 0.00 H new ATOM 885 N SER A 55 10.357 -9.184 -8.726 1.00 0.00 N ATOM 886 CA SER A 55 9.620 -7.939 -8.807 1.00 0.00 C ATOM 887 C SER A 55 8.147 -8.282 -8.993 1.00 0.00 C ATOM 888 O SER A 55 7.761 -8.867 -10.017 1.00 0.00 O ATOM 889 CB SER A 55 10.167 -7.076 -9.962 1.00 0.00 C ATOM 890 OG SER A 55 10.156 -7.771 -11.207 1.00 0.00 O ATOM 0 H SER A 55 9.889 -9.961 -9.192 1.00 0.00 H new ATOM 0 HA SER A 55 9.736 -7.352 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.570 -6.169 -10.049 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.186 -6.766 -9.730 1.00 0.00 H new ATOM 0 HG SER A 55 9.352 -8.328 -11.264 1.00 0.00 H new ATOM 896 N LEU A 56 7.329 -7.961 -7.991 1.00 0.00 N ATOM 897 CA LEU A 56 5.896 -8.249 -8.014 1.00 0.00 C ATOM 898 C LEU A 56 5.137 -6.931 -8.059 1.00 0.00 C ATOM 899 O LEU A 56 5.527 -5.971 -7.398 1.00 0.00 O ATOM 900 CB LEU A 56 5.496 -9.039 -6.749 1.00 0.00 C ATOM 901 CG LEU A 56 4.014 -9.531 -6.685 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.770 -10.708 -7.645 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.610 -9.876 -5.248 1.00 0.00 C ATOM 0 H LEU A 56 7.642 -7.494 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 56 5.654 -8.850 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.150 -9.907 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.687 -8.412 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 56 3.376 -8.712 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.729 -11.025 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.986 -10.395 -8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.421 -11.539 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.574 -10.215 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.257 -10.667 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.711 -8.991 -4.619 1.00 0.00 H new ATOM 915 N THR A 57 4.065 -6.888 -8.835 1.00 0.00 N ATOM 916 CA THR A 57 3.141 -5.753 -8.855 1.00 0.00 C ATOM 917 C THR A 57 1.828 -6.189 -8.183 1.00 0.00 C ATOM 918 O THR A 57 1.527 -7.395 -8.140 1.00 0.00 O ATOM 919 CB THR A 57 2.924 -5.229 -10.314 1.00 0.00 C ATOM 920 OG1 THR A 57 2.362 -3.916 -10.268 1.00 0.00 O ATOM 921 CG2 THR A 57 2.026 -6.149 -11.170 1.00 0.00 C ATOM 0 H THR A 57 3.806 -7.640 -9.473 1.00 0.00 H new ATOM 0 HA THR A 57 3.559 -4.915 -8.298 1.00 0.00 H new ATOM 0 HB THR A 57 3.903 -5.215 -10.794 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.075 -3.251 -10.370 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.918 -5.725 -12.169 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.481 -7.137 -11.242 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.044 -6.235 -10.704 1.00 0.00 H new ATOM 929 N GLN A 58 1.070 -5.236 -7.617 1.00 0.00 N ATOM 930 CA GLN A 58 -0.195 -5.561 -6.923 1.00 0.00 C ATOM 931 C GLN A 58 -1.193 -4.401 -7.081 1.00 0.00 C ATOM 932 O GLN A 58 -0.803 -3.230 -7.044 1.00 0.00 O ATOM 933 CB GLN A 58 0.071 -5.889 -5.420 1.00 0.00 C ATOM 934 CG GLN A 58 -0.868 -6.932 -4.785 1.00 0.00 C ATOM 935 CD GLN A 58 -0.698 -8.318 -5.404 1.00 0.00 C ATOM 936 OE1 GLN A 58 -1.396 -8.686 -6.351 1.00 0.00 O ATOM 937 NE2 GLN A 58 0.260 -9.083 -4.899 1.00 0.00 N ATOM 0 H GLN A 58 1.304 -4.243 -7.623 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.633 -6.449 -7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.097 -6.244 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.003 -4.965 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.673 -6.988 -3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.902 -6.607 -4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.820 -8.748 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.437 -10.006 -5.295 1.00 0.00 H new ATOM 946 N THR A 59 -2.479 -4.750 -7.206 1.00 0.00 N ATOM 947 CA THR A 59 -3.544 -3.836 -7.631 1.00 0.00 C ATOM 948 C THR A 59 -4.030 -2.904 -6.492 1.00 0.00 C ATOM 949 O THR A 59 -4.675 -3.363 -5.544 1.00 0.00 O ATOM 950 CB THR A 59 -4.758 -4.658 -8.185 1.00 0.00 C ATOM 951 OG1 THR A 59 -4.309 -5.608 -9.166 1.00 0.00 O ATOM 952 CG2 THR A 59 -5.834 -3.761 -8.812 1.00 0.00 C ATOM 0 H THR A 59 -2.814 -5.693 -7.011 1.00 0.00 H new ATOM 0 HA THR A 59 -3.124 -3.201 -8.411 1.00 0.00 H new ATOM 0 HB THR A 59 -5.203 -5.175 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.076 -6.117 -9.504 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.653 -4.379 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.212 -3.067 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.402 -3.199 -9.640 1.00 0.00 H new ATOM 960 N PHE A 60 -3.706 -1.602 -6.593 1.00 0.00 N ATOM 961 CA PHE A 60 -4.274 -0.550 -5.712 1.00 0.00 C ATOM 962 C PHE A 60 -5.361 0.226 -6.474 1.00 0.00 C ATOM 963 O PHE A 60 -5.038 1.072 -7.306 1.00 0.00 O ATOM 964 CB PHE A 60 -3.182 0.445 -5.206 1.00 0.00 C ATOM 965 CG PHE A 60 -2.447 0.019 -3.942 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.131 -0.112 -2.735 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.078 -0.210 -3.948 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.460 -0.460 -1.579 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.412 -0.563 -2.796 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.104 -0.687 -1.612 1.00 0.00 C ATOM 0 H PHE A 60 -3.046 -1.244 -7.283 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.702 -1.044 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.450 0.590 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.651 1.412 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.197 0.060 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.526 -0.110 -4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.000 -0.554 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.653 -0.743 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.581 -0.963 -0.708 1.00 0.00 H new ATOM 980 N GLU A 61 -6.631 -0.081 -6.192 1.00 0.00 N ATOM 981 CA GLU A 61 -7.790 0.634 -6.755 1.00 0.00 C ATOM 982 C GLU A 61 -9.080 0.115 -6.097 1.00 0.00 C ATOM 983 O GLU A 61 -9.012 -0.613 -5.096 1.00 0.00 O ATOM 984 CB GLU A 61 -7.863 0.458 -8.300 1.00 0.00 C ATOM 985 CG GLU A 61 -8.145 -0.984 -8.767 1.00 0.00 C ATOM 986 CD GLU A 61 -8.191 -1.117 -10.288 1.00 0.00 C ATOM 987 OE1 GLU A 61 -7.128 -1.293 -10.906 1.00 0.00 O ATOM 988 OE2 GLU A 61 -9.290 -1.034 -10.878 1.00 0.00 O ATOM 0 H GLU A 61 -6.890 -0.839 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.677 1.698 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.642 1.112 -8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.921 0.790 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.374 -1.646 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.095 -1.317 -8.349 1.00 0.00 H new ATOM 995 N ALA A 62 -10.241 0.526 -6.664 1.00 0.00 N ATOM 996 CA ALA A 62 -11.582 0.045 -6.259 1.00 0.00 C ATOM 997 C ALA A 62 -12.000 0.583 -4.874 1.00 0.00 C ATOM 998 O ALA A 62 -12.894 0.022 -4.233 1.00 0.00 O ATOM 999 CB ALA A 62 -11.669 -1.503 -6.325 1.00 0.00 C ATOM 0 H ALA A 62 -10.271 1.207 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.297 0.446 -6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.665 -1.825 -6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.475 -1.835 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.928 -1.938 -5.655 1.00 0.00 H new ATOM 1005 N LEU A 63 -11.363 1.692 -4.434 1.00 0.00 N ATOM 1006 CA LEU A 63 -11.735 2.396 -3.190 1.00 0.00 C ATOM 1007 C LEU A 63 -12.753 3.526 -3.495 1.00 0.00 C ATOM 1008 O LEU A 63 -12.389 4.529 -4.122 1.00 0.00 O ATOM 1009 CB LEU A 63 -10.486 2.977 -2.452 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.622 1.993 -1.583 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -10.517 1.071 -0.733 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -8.616 1.191 -2.433 1.00 0.00 C ATOM 0 H LEU A 63 -10.581 2.120 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.198 1.666 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.832 3.423 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.826 3.785 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.030 2.602 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.892 0.401 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.133 1.675 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.160 0.484 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.043 0.526 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.155 0.601 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.938 1.878 -2.939 1.00 0.00 H new ATOM 1024 N PRO A 64 -14.048 3.370 -3.057 1.00 0.00 N ATOM 1025 CA PRO A 64 -15.086 4.426 -3.160 1.00 0.00 C ATOM 1026 C PRO A 64 -15.016 5.402 -1.950 1.00 0.00 C ATOM 1027 O PRO A 64 -13.921 5.697 -1.487 1.00 0.00 O ATOM 1028 CB PRO A 64 -16.389 3.587 -3.195 1.00 0.00 C ATOM 1029 CG PRO A 64 -16.103 2.390 -2.342 1.00 0.00 C ATOM 1030 CD PRO A 64 -14.604 2.137 -2.436 1.00 0.00 C ATOM 0 HA PRO A 64 -14.985 5.082 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.235 4.155 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.642 3.294 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.402 2.570 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.665 1.523 -2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.170 1.960 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.389 1.257 -3.042 1.00 0.00 H new ATOM 1038 N SER A 65 -16.169 5.946 -1.499 1.00 0.00 N ATOM 1039 CA SER A 65 -16.275 6.810 -0.284 1.00 0.00 C ATOM 1040 C SER A 65 -17.740 6.893 0.183 1.00 0.00 C ATOM 1041 O SER A 65 -18.657 6.553 -0.592 1.00 0.00 O ATOM 1042 CB SER A 65 -15.712 8.247 -0.531 1.00 0.00 C ATOM 1043 OG SER A 65 -14.320 8.315 -0.242 1.00 0.00 O ATOM 0 H SER A 65 -17.064 5.801 -1.967 1.00 0.00 H new ATOM 0 HA SER A 65 -15.668 6.349 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.884 8.534 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.250 8.962 0.091 1.00 0.00 H new ATOM 0 HG SER A 65 -13.881 7.496 -0.554 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.999 7.343 1.461 1.00 0.00 N ATOM 1050 CA PRO A 66 -19.368 7.673 1.910 1.00 0.00 C ATOM 1051 C PRO A 66 -19.930 8.859 1.098 1.00 0.00 C ATOM 1052 O PRO A 66 -19.278 9.910 0.991 1.00 0.00 O ATOM 1053 CB PRO A 66 -19.193 8.044 3.413 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.750 8.423 3.555 1.00 0.00 C ATOM 1055 CD PRO A 66 -17.004 7.552 2.565 1.00 0.00 C ATOM 0 HA PRO A 66 -20.073 6.854 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.847 8.869 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.445 7.203 4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.599 9.481 3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.397 8.252 4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.100 8.041 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.698 6.607 3.013 1.00 0.00 H new ATOM 1063 N VAL A 67 -21.110 8.664 0.484 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.818 9.743 -0.210 1.00 0.00 C ATOM 1065 C VAL A 67 -22.364 10.700 0.854 1.00 0.00 C ATOM 1066 O VAL A 67 -23.298 10.355 1.584 1.00 0.00 O ATOM 1067 CB VAL A 67 -23.000 9.213 -1.108 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -23.642 10.367 -1.916 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -22.526 8.074 -2.037 1.00 0.00 C ATOM 0 H VAL A 67 -21.591 7.765 0.457 1.00 0.00 H new ATOM 0 HA VAL A 67 -21.120 10.245 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.765 8.803 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -24.455 9.975 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -24.034 11.118 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.890 10.822 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -23.362 7.728 -2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -21.732 8.442 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -22.148 7.247 -1.435 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.753 11.879 0.965 1.00 0.00 N ATOM 1080 CA ILE A 68 -22.135 12.876 1.965 1.00 0.00 C ATOM 1081 C ILE A 68 -22.998 13.949 1.291 1.00 0.00 C ATOM 1082 O ILE A 68 -22.567 14.570 0.313 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.869 13.500 2.658 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.977 12.372 3.268 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.283 14.512 3.742 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.736 12.854 3.996 1.00 0.00 C ATOM 0 H ILE A 68 -20.981 12.170 0.366 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.716 12.397 2.753 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.289 14.032 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.582 11.787 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.671 11.699 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.391 14.931 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.866 15.313 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.885 14.009 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.185 11.997 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -18.103 13.411 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.028 13.501 4.824 1.00 0.00 H new ATOM 1098 N ILE A 69 -24.222 14.128 1.809 1.00 0.00 N ATOM 1099 CA ILE A 69 -25.256 14.977 1.202 1.00 0.00 C ATOM 1100 C ILE A 69 -24.916 16.474 1.376 1.00 0.00 C ATOM 1101 O ILE A 69 -24.622 16.928 2.486 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.662 14.639 1.820 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -27.012 13.124 1.607 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.782 15.548 1.261 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -27.056 12.663 0.151 1.00 0.00 C ATOM 0 H ILE A 69 -24.525 13.680 2.674 1.00 0.00 H new ATOM 0 HA ILE A 69 -25.291 14.772 0.132 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.598 14.835 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -26.278 12.520 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.981 12.924 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.733 15.276 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.554 16.589 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.849 15.421 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -27.306 11.603 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.812 13.234 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -26.082 12.823 -0.311 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.950 17.214 0.255 1.00 0.00 N ATOM 1118 CA GLY A 70 -24.550 18.624 0.226 1.00 0.00 C ATOM 1119 C GLY A 70 -23.044 18.796 0.069 1.00 0.00 C ATOM 1120 O GLY A 70 -22.541 19.917 0.060 1.00 0.00 O ATOM 0 H GLY A 70 -25.254 16.851 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.058 19.126 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.875 19.110 1.146 1.00 0.00 H new ATOM 1124 N TYR A 71 -22.325 17.665 -0.049 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.858 17.632 -0.147 1.00 0.00 C ATOM 1126 C TYR A 71 -20.415 16.838 -1.383 1.00 0.00 C ATOM 1127 O TYR A 71 -21.176 16.045 -1.950 1.00 0.00 O ATOM 1128 CB TYR A 71 -20.236 17.011 1.137 1.00 0.00 C ATOM 1129 CG TYR A 71 -20.318 17.903 2.386 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -21.475 17.966 3.166 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -19.232 18.676 2.790 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -21.541 18.769 4.290 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -19.296 19.475 3.909 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.448 19.520 4.656 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.507 20.329 5.776 1.00 0.00 O ATOM 0 H TYR A 71 -22.753 16.739 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.503 18.658 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.738 16.067 1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -19.189 16.778 0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -22.335 17.376 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -18.320 18.648 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -22.446 18.806 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -18.440 20.067 4.200 1.00 0.00 H new ATOM 0 HH TYR A 71 -19.650 20.789 5.892 1.00 0.00 H new ATOM 1145 N THR A 72 -19.178 17.095 -1.793 1.00 0.00 N ATOM 1146 CA THR A 72 -18.487 16.393 -2.864 1.00 0.00 C ATOM 1147 C THR A 72 -16.996 16.316 -2.481 1.00 0.00 C ATOM 1148 O THR A 72 -16.433 17.302 -1.979 1.00 0.00 O ATOM 1149 CB THR A 72 -18.690 17.134 -4.235 1.00 0.00 C ATOM 1150 OG1 THR A 72 -20.080 17.104 -4.613 1.00 0.00 O ATOM 1151 CG2 THR A 72 -17.838 16.543 -5.371 1.00 0.00 C ATOM 0 H THR A 72 -18.608 17.828 -1.370 1.00 0.00 H new ATOM 0 HA THR A 72 -18.891 15.388 -2.989 1.00 0.00 H new ATOM 0 HB THR A 72 -18.360 18.162 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 72 -20.197 17.570 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 72 -18.023 17.098 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.782 16.615 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 72 -18.104 15.496 -5.519 1.00 0.00 H new ATOM 1159 N ALA A 73 -16.384 15.138 -2.667 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.975 14.905 -2.328 1.00 0.00 C ATOM 1161 C ALA A 73 -14.037 15.647 -3.308 1.00 0.00 C ATOM 1162 O ALA A 73 -14.275 15.677 -4.519 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.665 13.397 -2.313 1.00 0.00 C ATOM 0 H ALA A 73 -16.853 14.320 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.797 15.303 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.616 13.244 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.293 12.904 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.866 12.974 -3.297 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.981 16.218 -2.729 1.00 0.00 N ATOM 1170 CA ASP A 74 -11.887 16.951 -3.415 1.00 0.00 C ATOM 1171 C ASP A 74 -11.016 15.976 -4.244 1.00 0.00 C ATOM 1172 O ASP A 74 -10.241 16.380 -5.108 1.00 0.00 O ATOM 1173 CB ASP A 74 -11.056 17.659 -2.304 1.00 0.00 C ATOM 1174 CG ASP A 74 -9.877 18.528 -2.789 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -8.795 17.976 -3.096 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -10.001 19.770 -2.813 1.00 0.00 O ATOM 0 H ASP A 74 -12.847 16.187 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.281 17.685 -4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.729 18.288 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.666 16.897 -1.629 1.00 0.00 H new ATOM 1181 N LYS A 75 -11.132 14.685 -3.907 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.486 13.579 -4.609 1.00 0.00 C ATOM 1183 C LYS A 75 -11.403 12.349 -4.481 1.00 0.00 C ATOM 1184 O LYS A 75 -11.241 11.529 -3.575 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.042 13.311 -4.079 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.874 13.243 -2.534 1.00 0.00 C ATOM 1187 CD LYS A 75 -8.842 14.629 -1.822 1.00 0.00 C ATOM 1188 CE LYS A 75 -7.474 15.324 -1.821 1.00 0.00 C ATOM 1189 NZ LYS A 75 -6.977 15.640 -3.183 1.00 0.00 N ATOM 0 H LYS A 75 -11.695 14.377 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.354 13.828 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.692 12.370 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.387 14.095 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.692 12.655 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.951 12.711 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.566 15.286 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.168 14.498 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.543 16.246 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.750 14.685 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.150 16.267 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.705 14.760 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.727 16.115 -3.725 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.444 12.245 -5.362 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.439 11.155 -5.324 1.00 0.00 C ATOM 1205 C PRO A 76 -13.060 9.925 -6.176 1.00 0.00 C ATOM 1206 O PRO A 76 -13.940 9.136 -6.555 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.688 11.861 -5.876 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.139 12.766 -6.938 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.780 13.220 -6.441 1.00 0.00 C ATOM 0 HA PRO A 76 -13.553 10.729 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.403 11.148 -6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.208 12.423 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.051 12.242 -7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.798 13.618 -7.103 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.038 13.203 -7.239 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.815 14.240 -6.060 1.00 0.00 H new ATOM 1217 N MET A 77 -11.763 9.738 -6.454 1.00 0.00 N ATOM 1218 CA MET A 77 -11.268 8.508 -7.077 1.00 0.00 C ATOM 1219 C MET A 77 -9.855 8.214 -6.599 1.00 0.00 C ATOM 1220 O MET A 77 -9.083 9.138 -6.329 1.00 0.00 O ATOM 1221 CB MET A 77 -11.306 8.605 -8.619 1.00 0.00 C ATOM 1222 CG MET A 77 -10.946 7.296 -9.334 1.00 0.00 C ATOM 1223 SD MET A 77 -11.955 5.926 -8.722 1.00 0.00 S ATOM 1224 CE MET A 77 -11.236 4.523 -9.558 1.00 0.00 C ATOM 0 H MET A 77 -11.037 10.427 -6.256 1.00 0.00 H new ATOM 0 HA MET A 77 -11.923 7.689 -6.779 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.304 8.914 -8.929 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.616 9.385 -8.941 1.00 0.00 H new ATOM 0 HG2 MET A 77 -11.095 7.411 -10.408 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.890 7.072 -9.181 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.517 3.607 -9.038 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.601 4.485 -10.584 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.150 4.619 -9.563 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.540 6.919 -6.439 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.151 6.461 -6.316 1.00 0.00 C ATOM 1236 C VAL A 78 -7.927 5.284 -7.268 1.00 0.00 C ATOM 1237 O VAL A 78 -8.783 4.397 -7.407 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.719 6.100 -4.833 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -7.895 4.609 -4.438 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -6.291 6.584 -4.565 1.00 0.00 C ATOM 0 H VAL A 78 -10.232 6.171 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.508 7.296 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.417 6.632 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.572 4.465 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.944 4.329 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.292 3.984 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.006 6.330 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.606 6.102 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.242 7.665 -4.697 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.792 5.325 -7.943 1.00 0.00 N ATOM 1251 CA GLY A 79 -6.371 4.277 -8.834 1.00 0.00 C ATOM 1252 C GLY A 79 -4.890 4.418 -9.153 1.00 0.00 C ATOM 1253 O GLY A 79 -4.540 4.813 -10.270 1.00 0.00 O ATOM 0 H GLY A 79 -6.133 6.101 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.561 3.305 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.954 4.317 -9.754 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.972 4.137 -8.160 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.541 3.872 -8.453 1.00 0.00 C ATOM 1259 C PRO A 80 -2.391 2.667 -9.420 1.00 0.00 C ATOM 1260 O PRO A 80 -1.319 2.458 -10.016 1.00 0.00 O ATOM 1261 CB PRO A 80 -1.927 3.567 -7.056 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.852 4.238 -6.081 1.00 0.00 C ATOM 1263 CD PRO A 80 -4.230 4.088 -6.687 1.00 0.00 C ATOM 0 HA PRO A 80 -2.044 4.706 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.870 2.494 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.913 3.959 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.799 3.769 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.591 5.288 -5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.698 3.148 -6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.897 4.889 -6.370 1.00 0.00 H new ATOM 1271 N ASP A 81 -3.505 1.890 -9.525 1.00 0.00 N ATOM 1272 CA ASP A 81 -3.716 0.781 -10.465 1.00 0.00 C ATOM 1273 C ASP A 81 -2.905 -0.432 -10.020 1.00 0.00 C ATOM 1274 O ASP A 81 -3.454 -1.417 -9.532 1.00 0.00 O ATOM 1275 CB ASP A 81 -3.409 1.192 -11.938 1.00 0.00 C ATOM 1276 CG ASP A 81 -3.732 0.080 -12.960 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -4.928 -0.128 -13.262 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -2.804 -0.570 -13.493 1.00 0.00 O ATOM 0 H ASP A 81 -4.313 2.038 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.772 0.511 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.984 2.084 -12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.355 1.459 -12.022 1.00 0.00 H new ATOM 1283 N GLU A 82 -1.586 -0.317 -10.184 1.00 0.00 N ATOM 1284 CA GLU A 82 -0.611 -1.316 -9.737 1.00 0.00 C ATOM 1285 C GLU A 82 0.624 -0.618 -9.155 1.00 0.00 C ATOM 1286 O GLU A 82 1.127 0.347 -9.734 1.00 0.00 O ATOM 1287 CB GLU A 82 -0.195 -2.231 -10.910 1.00 0.00 C ATOM 1288 CG GLU A 82 -1.322 -3.096 -11.509 1.00 0.00 C ATOM 1289 CD GLU A 82 -0.849 -3.984 -12.673 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -0.256 -3.452 -13.631 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -1.064 -5.209 -12.642 1.00 0.00 O ATOM 0 H GLU A 82 -1.156 0.488 -10.640 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.073 -1.930 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.222 -1.610 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.603 -2.890 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.742 -3.727 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.124 -2.446 -11.859 1.00 0.00 H new ATOM 1298 N VAL A 83 1.090 -1.103 -7.995 1.00 0.00 N ATOM 1299 CA VAL A 83 2.374 -0.688 -7.390 1.00 0.00 C ATOM 1300 C VAL A 83 3.341 -1.880 -7.454 1.00 0.00 C ATOM 1301 O VAL A 83 3.000 -2.971 -6.999 1.00 0.00 O ATOM 1302 CB VAL A 83 2.191 -0.170 -5.905 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.545 -0.030 -5.159 1.00 0.00 C ATOM 1304 CG2 VAL A 83 1.423 1.176 -5.903 1.00 0.00 C ATOM 0 H VAL A 83 0.587 -1.798 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 83 2.782 0.152 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 83 1.609 -0.917 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.366 0.328 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.040 -1.000 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.180 0.680 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.302 1.524 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.984 1.916 -6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.442 1.036 -6.357 1.00 0.00 H new ATOM 1314 N THR A 84 4.516 -1.673 -8.059 1.00 0.00 N ATOM 1315 CA THR A 84 5.530 -2.721 -8.224 1.00 0.00 C ATOM 1316 C THR A 84 6.620 -2.565 -7.154 1.00 0.00 C ATOM 1317 O THR A 84 7.211 -1.490 -7.012 1.00 0.00 O ATOM 1318 CB THR A 84 6.166 -2.656 -9.651 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.120 -2.683 -10.643 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.156 -3.818 -9.908 1.00 0.00 C ATOM 0 H THR A 84 4.791 -0.772 -8.449 1.00 0.00 H new ATOM 0 HA THR A 84 5.048 -3.692 -8.107 1.00 0.00 H new ATOM 0 HB THR A 84 6.731 -1.726 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.517 -2.641 -11.538 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.570 -3.728 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.964 -3.776 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.632 -4.769 -9.816 1.00 0.00 H new ATOM 1328 N VAL A 85 6.846 -3.627 -6.382 1.00 0.00 N ATOM 1329 CA VAL A 85 7.972 -3.724 -5.446 1.00 0.00 C ATOM 1330 C VAL A 85 9.014 -4.687 -6.021 1.00 0.00 C ATOM 1331 O VAL A 85 8.699 -5.842 -6.321 1.00 0.00 O ATOM 1332 CB VAL A 85 7.499 -4.209 -4.026 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.676 -4.397 -3.034 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.458 -3.231 -3.460 1.00 0.00 C ATOM 0 H VAL A 85 6.249 -4.454 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 85 8.412 -2.735 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 85 7.043 -5.191 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.290 -4.732 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.368 -5.142 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.198 -3.449 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.135 -3.573 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.901 -2.239 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.599 -3.187 -4.129 1.00 0.00 H new ATOM 1344 N ASP A 86 10.231 -4.179 -6.211 1.00 0.00 N ATOM 1345 CA ASP A 86 11.413 -4.974 -6.600 1.00 0.00 C ATOM 1346 C ASP A 86 12.119 -5.484 -5.342 1.00 0.00 C ATOM 1347 O ASP A 86 11.934 -4.924 -4.270 1.00 0.00 O ATOM 1348 CB ASP A 86 12.407 -4.096 -7.403 1.00 0.00 C ATOM 1349 CG ASP A 86 11.921 -3.781 -8.820 1.00 0.00 C ATOM 1350 OD1 ASP A 86 11.197 -2.780 -9.011 1.00 0.00 O ATOM 1351 OD2 ASP A 86 12.272 -4.532 -9.749 1.00 0.00 O ATOM 0 H ASP A 86 10.435 -3.186 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 86 11.085 -5.811 -7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.573 -3.162 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.369 -4.606 -7.460 1.00 0.00 H new ATOM 1356 N SER A 87 12.972 -6.509 -5.496 1.00 0.00 N ATOM 1357 CA SER A 87 13.891 -6.955 -4.423 1.00 0.00 C ATOM 1358 C SER A 87 14.875 -5.841 -4.046 1.00 0.00 C ATOM 1359 O SER A 87 15.314 -5.741 -2.892 1.00 0.00 O ATOM 1360 CB SER A 87 14.646 -8.217 -4.863 1.00 0.00 C ATOM 1361 OG SER A 87 13.736 -9.258 -5.095 1.00 0.00 O ATOM 0 H SER A 87 13.048 -7.051 -6.357 1.00 0.00 H new ATOM 0 HA SER A 87 13.298 -7.192 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.218 -8.013 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.361 -8.511 -4.094 1.00 0.00 H new ATOM 0 HG SER A 87 13.328 -9.531 -4.247 1.00 0.00 H new ATOM 1367 N LYS A 88 15.169 -4.996 -5.036 1.00 0.00 N ATOM 1368 CA LYS A 88 16.058 -3.841 -4.902 1.00 0.00 C ATOM 1369 C LYS A 88 15.520 -2.845 -3.845 1.00 0.00 C ATOM 1370 O LYS A 88 16.267 -2.400 -2.967 1.00 0.00 O ATOM 1371 CB LYS A 88 16.197 -3.152 -6.278 1.00 0.00 C ATOM 1372 CG LYS A 88 16.638 -4.102 -7.419 1.00 0.00 C ATOM 1373 CD LYS A 88 16.573 -3.433 -8.811 1.00 0.00 C ATOM 1374 CE LYS A 88 16.986 -4.377 -9.943 1.00 0.00 C ATOM 1375 NZ LYS A 88 16.966 -3.686 -11.260 1.00 0.00 N ATOM 0 H LYS A 88 14.786 -5.099 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 88 17.037 -4.180 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.241 -2.701 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.920 -2.341 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.657 -4.441 -7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.002 -4.987 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.558 -3.079 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.222 -2.558 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.986 -4.765 -9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.312 -5.233 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.251 -4.352 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.006 -3.338 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.628 -2.884 -11.241 1.00 0.00 H new ATOM 1389 N ASN A 89 14.202 -2.531 -3.921 1.00 0.00 N ATOM 1390 CA ASN A 89 13.541 -1.579 -2.994 1.00 0.00 C ATOM 1391 C ASN A 89 12.764 -2.307 -1.879 1.00 0.00 C ATOM 1392 O ASN A 89 12.165 -1.651 -1.036 1.00 0.00 O ATOM 1393 CB ASN A 89 12.599 -0.593 -3.765 1.00 0.00 C ATOM 1394 CG ASN A 89 11.393 -1.229 -4.487 1.00 0.00 C ATOM 1395 OD1 ASN A 89 10.938 -2.316 -4.167 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.826 -0.515 -5.441 1.00 0.00 N ATOM 0 H ASN A 89 13.573 -2.927 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 89 14.333 -0.998 -2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.224 0.146 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.195 -0.055 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.998 -0.870 -5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.215 0.392 -5.699 1.00 0.00 H new ATOM 1403 N PHE A 90 12.841 -3.653 -1.868 1.00 0.00 N ATOM 1404 CA PHE A 90 11.984 -4.529 -1.031 1.00 0.00 C ATOM 1405 C PHE A 90 12.168 -4.302 0.468 1.00 0.00 C ATOM 1406 O PHE A 90 11.215 -4.451 1.228 1.00 0.00 O ATOM 1407 CB PHE A 90 12.269 -6.014 -1.368 1.00 0.00 C ATOM 1408 CG PHE A 90 11.393 -7.020 -0.639 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.108 -7.307 -1.092 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.853 -7.678 0.494 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.311 -8.219 -0.431 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.060 -8.580 1.149 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.788 -8.854 0.692 1.00 0.00 C ATOM 0 H PHE A 90 13.505 -4.171 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 90 10.951 -4.272 -1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.144 -6.157 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.312 -6.229 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.730 -6.809 -1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.848 -7.475 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.317 -8.433 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.433 -9.081 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.167 -9.566 1.215 1.00 0.00 H new ATOM 1423 N LEU A 91 13.394 -3.970 0.893 1.00 0.00 N ATOM 1424 CA LEU A 91 13.712 -3.777 2.322 1.00 0.00 C ATOM 1425 C LEU A 91 12.989 -2.528 2.863 1.00 0.00 C ATOM 1426 O LEU A 91 12.687 -2.433 4.054 1.00 0.00 O ATOM 1427 CB LEU A 91 15.247 -3.679 2.550 1.00 0.00 C ATOM 1428 CG LEU A 91 16.078 -4.983 2.274 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.497 -6.193 3.043 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.223 -5.286 0.759 1.00 0.00 C ATOM 0 H LEU A 91 14.188 -3.828 0.268 1.00 0.00 H new ATOM 0 HA LEU A 91 13.357 -4.648 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.637 -2.884 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.420 -3.375 3.582 1.00 0.00 H new ATOM 0 HG LEU A 91 17.084 -4.800 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.094 -7.080 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.519 -5.988 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.468 -6.365 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.806 -6.197 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.235 -5.419 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.730 -4.455 0.269 1.00 0.00 H new ATOM 1442 N ASP A 92 12.723 -1.583 1.959 1.00 0.00 N ATOM 1443 CA ASP A 92 11.877 -0.409 2.216 1.00 0.00 C ATOM 1444 C ASP A 92 10.430 -0.721 1.779 1.00 0.00 C ATOM 1445 O ASP A 92 10.204 -1.614 0.954 1.00 0.00 O ATOM 1446 CB ASP A 92 12.448 0.813 1.435 1.00 0.00 C ATOM 1447 CG ASP A 92 11.648 2.113 1.643 1.00 0.00 C ATOM 1448 OD1 ASP A 92 11.745 2.702 2.742 1.00 0.00 O ATOM 1449 OD2 ASP A 92 10.927 2.559 0.715 1.00 0.00 O ATOM 0 H ASP A 92 13.095 -1.610 1.010 1.00 0.00 H new ATOM 0 HA ASP A 92 11.872 -0.169 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.480 0.979 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.467 0.576 0.371 1.00 0.00 H new ATOM 1454 N LYS A 93 9.451 -0.004 2.344 1.00 0.00 N ATOM 1455 CA LYS A 93 8.047 -0.071 1.903 1.00 0.00 C ATOM 1456 C LYS A 93 7.604 1.318 1.431 1.00 0.00 C ATOM 1457 O LYS A 93 7.911 2.337 2.070 1.00 0.00 O ATOM 1458 CB LYS A 93 7.123 -0.594 3.040 1.00 0.00 C ATOM 1459 CG LYS A 93 7.152 0.234 4.341 1.00 0.00 C ATOM 1460 CD LYS A 93 6.178 -0.313 5.420 1.00 0.00 C ATOM 1461 CE LYS A 93 6.535 -1.737 5.884 1.00 0.00 C ATOM 1462 NZ LYS A 93 5.540 -2.304 6.840 1.00 0.00 N ATOM 0 H LYS A 93 9.607 0.640 3.120 1.00 0.00 H new ATOM 0 HA LYS A 93 7.967 -0.776 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.098 -0.623 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.407 -1.620 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.166 0.239 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.893 1.268 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.184 0.356 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.164 -0.310 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.608 -2.389 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.518 -1.724 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.832 -3.263 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.487 -1.700 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.606 -2.345 6.385 1.00 0.00 H new ATOM 1476 N GLN A 94 6.850 1.348 0.330 1.00 0.00 N ATOM 1477 CA GLN A 94 6.303 2.591 -0.241 1.00 0.00 C ATOM 1478 C GLN A 94 4.857 2.787 0.238 1.00 0.00 C ATOM 1479 O GLN A 94 3.968 3.200 -0.527 1.00 0.00 O ATOM 1480 CB GLN A 94 6.417 2.619 -1.798 1.00 0.00 C ATOM 1481 CG GLN A 94 5.905 1.366 -2.548 1.00 0.00 C ATOM 1482 CD GLN A 94 6.910 0.208 -2.574 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.912 -0.655 -1.695 1.00 0.00 O ATOM 1484 NE2 GLN A 94 7.772 0.179 -3.582 1.00 0.00 N ATOM 0 H GLN A 94 6.598 0.511 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 94 6.900 3.430 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.867 3.485 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.464 2.771 -2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.983 1.024 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.657 1.643 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.747 0.907 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.460 -0.572 -3.643 1.00 0.00 H new ATOM 1493 N ASN A 95 4.649 2.467 1.532 1.00 0.00 N ATOM 1494 CA ASN A 95 3.431 2.797 2.290 1.00 0.00 C ATOM 1495 C ASN A 95 3.103 4.297 2.149 1.00 0.00 C ATOM 1496 O ASN A 95 4.017 5.130 2.006 1.00 0.00 O ATOM 1497 CB ASN A 95 3.623 2.446 3.793 1.00 0.00 C ATOM 1498 CG ASN A 95 4.655 3.319 4.539 1.00 0.00 C ATOM 1499 OD1 ASN A 95 5.764 3.679 3.897 1.00 0.00 O flip ATOM 1500 ND2 ASN A 95 4.465 3.651 5.708 1.00 0.00 N flip ATOM 0 H ASN A 95 5.339 1.962 2.088 1.00 0.00 H new ATOM 0 HA ASN A 95 2.605 2.212 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.661 2.536 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.928 1.402 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.610 3.367 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.163 4.210 6.199 1.00 0.00 H new ATOM 1507 N ARG A 96 1.819 4.651 2.203 1.00 0.00 N ATOM 1508 CA ARG A 96 1.389 6.016 1.905 1.00 0.00 C ATOM 1509 C ARG A 96 0.087 6.366 2.647 1.00 0.00 C ATOM 1510 O ARG A 96 -0.966 5.788 2.380 1.00 0.00 O ATOM 1511 CB ARG A 96 1.194 6.169 0.375 1.00 0.00 C ATOM 1512 CG ARG A 96 1.100 7.630 -0.102 1.00 0.00 C ATOM 1513 CD ARG A 96 0.535 7.751 -1.516 1.00 0.00 C ATOM 1514 NE ARG A 96 -0.849 7.234 -1.587 1.00 0.00 N ATOM 1515 CZ ARG A 96 -1.742 7.562 -2.539 1.00 0.00 C ATOM 1516 NH1 ARG A 96 -1.416 8.406 -3.508 1.00 0.00 N ATOM 1517 NH2 ARG A 96 -2.963 7.035 -2.526 1.00 0.00 N ATOM 0 H ARG A 96 1.062 4.014 2.449 1.00 0.00 H new ATOM 0 HA ARG A 96 2.160 6.707 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.025 5.683 -0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.286 5.642 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.470 8.193 0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.091 8.083 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.552 8.795 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.168 7.199 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.148 6.582 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.481 8.813 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.100 8.648 -4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.227 6.378 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.635 7.288 -3.250 1.00 0.00 H new ATOM 1531 N GLU A 97 0.186 7.343 3.553 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.945 7.865 4.331 1.00 0.00 C ATOM 1533 C GLU A 97 -1.329 9.224 3.739 1.00 0.00 C ATOM 1534 O GLU A 97 -0.570 10.193 3.843 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.569 7.976 5.846 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.714 8.436 6.798 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.975 9.957 6.806 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.158 10.701 7.377 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -2.996 10.412 6.241 1.00 0.00 O ATOM 0 H GLU A 97 1.070 7.803 3.771 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.797 7.188 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.210 7.004 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.262 8.674 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.633 7.925 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.475 8.117 7.812 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.497 9.274 3.102 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.041 10.491 2.489 1.00 0.00 C ATOM 1548 C GLU A 98 -4.412 10.826 3.096 1.00 0.00 C ATOM 1549 O GLU A 98 -4.960 10.052 3.873 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.149 10.305 0.963 1.00 0.00 C ATOM 1551 CG GLU A 98 -1.841 9.946 0.246 1.00 0.00 C ATOM 1552 CD GLU A 98 -0.723 10.994 0.416 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -0.869 12.114 -0.103 1.00 0.00 O ATOM 1554 OE2 GLU A 98 0.316 10.701 1.051 1.00 0.00 O ATOM 0 H GLU A 98 -3.103 8.461 2.994 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.368 11.324 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.880 9.522 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.540 11.226 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.485 8.986 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.045 9.817 -0.817 1.00 0.00 H new ATOM 1561 N THR A 99 -4.936 12.009 2.753 1.00 0.00 N ATOM 1562 CA THR A 99 -6.223 12.511 3.278 1.00 0.00 C ATOM 1563 C THR A 99 -7.139 13.017 2.146 1.00 0.00 C ATOM 1564 O THR A 99 -6.683 13.744 1.253 1.00 0.00 O ATOM 1565 CB THR A 99 -5.964 13.658 4.310 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.131 13.171 5.383 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.266 14.224 4.897 1.00 0.00 C ATOM 0 H THR A 99 -4.483 12.651 2.102 1.00 0.00 H new ATOM 0 HA THR A 99 -6.731 11.682 3.772 1.00 0.00 H new ATOM 0 HB THR A 99 -5.463 14.465 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.970 13.893 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.031 15.017 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.882 14.628 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.811 13.430 5.407 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.437 12.626 2.192 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.474 13.161 1.297 1.00 0.00 C ATOM 1577 C VAL A 100 -10.270 14.271 2.008 1.00 0.00 C ATOM 1578 O VAL A 100 -10.515 14.195 3.215 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.435 12.046 0.717 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.623 10.848 0.199 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.526 11.585 1.705 1.00 0.00 C ATOM 0 H VAL A 100 -8.786 11.931 2.852 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.961 13.587 0.435 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.966 12.509 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.302 10.092 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.950 11.179 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.041 10.422 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.144 10.820 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.057 11.173 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.149 12.435 1.982 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.629 15.319 1.252 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.316 16.510 1.784 1.00 0.00 C ATOM 1593 C ILE A 101 -12.733 16.610 1.206 1.00 0.00 C ATOM 1594 O ILE A 101 -12.901 16.807 0.018 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.498 17.820 1.461 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -9.061 17.744 2.072 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.237 19.089 1.942 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.020 17.628 3.589 1.00 0.00 C ATOM 0 H ILE A 101 -10.451 15.366 0.249 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.385 16.409 2.867 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.405 17.889 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.543 16.887 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.507 18.634 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.642 19.970 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -12.204 19.158 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.387 19.036 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.983 17.581 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.505 18.497 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.542 16.723 3.899 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.748 16.483 2.055 1.00 0.00 N ATOM 1611 CA TYR A 102 -15.145 16.615 1.651 1.00 0.00 C ATOM 1612 C TYR A 102 -15.541 18.083 1.771 1.00 0.00 C ATOM 1613 O TYR A 102 -15.751 18.606 2.875 1.00 0.00 O ATOM 1614 CB TYR A 102 -16.066 15.719 2.510 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.739 14.225 2.410 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.124 13.474 1.295 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -15.053 13.563 3.432 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -15.837 12.123 1.207 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.767 12.219 3.345 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.157 11.503 2.235 1.00 0.00 C ATOM 1621 OH TYR A 102 -14.861 10.162 2.149 1.00 0.00 O ATOM 0 H TYR A 102 -13.625 16.285 3.048 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.260 16.284 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.991 16.029 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -17.100 15.877 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -16.655 13.957 0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.742 14.116 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.143 11.558 0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.237 11.726 4.147 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.162 9.939 2.799 1.00 0.00 H new ATOM 1631 N SER A 103 -15.605 18.743 0.627 1.00 0.00 N ATOM 1632 CA SER A 103 -15.970 20.152 0.521 1.00 0.00 C ATOM 1633 C SER A 103 -17.453 20.222 0.151 1.00 0.00 C ATOM 1634 O SER A 103 -18.061 19.177 -0.087 1.00 0.00 O ATOM 1635 CB SER A 103 -15.078 20.810 -0.553 1.00 0.00 C ATOM 1636 OG SER A 103 -13.697 20.598 -0.268 1.00 0.00 O ATOM 0 H SER A 103 -15.401 18.309 -0.273 1.00 0.00 H new ATOM 0 HA SER A 103 -15.817 20.687 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.318 20.398 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.284 21.879 -0.597 1.00 0.00 H new ATOM 0 HG SER A 103 -13.151 21.022 -0.962 1.00 0.00 H new ATOM 1642 N ALA A 104 -18.038 21.430 0.111 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.431 21.617 -0.338 1.00 0.00 C ATOM 1644 C ALA A 104 -19.573 21.131 -1.788 1.00 0.00 C ATOM 1645 O ALA A 104 -18.581 21.087 -2.519 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.861 23.080 -0.190 1.00 0.00 C ATOM 0 H ALA A 104 -17.569 22.294 0.384 1.00 0.00 H new ATOM 0 HA ALA A 104 -20.093 21.023 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.891 23.192 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.787 23.377 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.211 23.713 -0.793 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.807 20.772 -2.172 1.00 0.00 N ATOM 1653 CA ASN A 105 -21.115 20.035 -3.425 1.00 0.00 C ATOM 1654 C ASN A 105 -20.480 20.688 -4.683 1.00 0.00 C ATOM 1655 O ASN A 105 -20.037 21.846 -4.626 1.00 0.00 O ATOM 1656 CB ASN A 105 -22.662 19.897 -3.577 1.00 0.00 C ATOM 1657 CG ASN A 105 -23.095 18.772 -4.518 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -23.294 18.987 -5.708 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -23.228 17.564 -3.993 1.00 0.00 N ATOM 0 H ASN A 105 -21.637 20.985 -1.619 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.666 19.045 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -23.100 19.724 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -23.067 20.840 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.504 16.779 -4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -23.055 17.418 -2.998 1.00 0.00 H new