USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 813 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 61 GLN :FLIP amide:sc= -0.469 F(o=-2.7!,f=-1.8) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -1.36 K(o=-1.8,f=-9.9!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -152:sc= 1.22 (180deg=-0.0968) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.512 K(o=1.7,f=1.1) USER MOD Set 3.1: A 2 GLN : amide:sc= -0.283 K(o=-0.25,f=-4.5!) USER MOD Set 3.2: A 34 GLN : amide:sc= 0.0351 K(o=-0.25,f=-4.5) USER MOD Single : A 1 MET CE :methyl -162:sc=-0.00461 (180deg=-0.967) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.7 (180deg=1.33) USER MOD Single : A 3 THR OG1 : rot 151:sc= 1.85 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -172:sc= 1.28 USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 2.48 (180deg=1.86) USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00299) USER MOD Single : A 25 SER OG : rot 49:sc= 1.22 USER MOD Single : A 26 ASN : amide:sc= 0.125 X(o=0.13,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.0665 X(o=0.066,f=-0.17) USER MOD Single : A 33 TYR OH : rot -170:sc= 0.657 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.0849 USER MOD Single : A 44 THR OG1 : rot -175:sc= -0.25 USER MOD Single : A 50 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 0.74 (180deg=0.312) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0.923 (180deg=0.64) USER MOD Single : A 58 THR OG1 : rot 3:sc= 1.2 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 72 TYR OH : rot 178:sc= 1.25 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 2.21 (180deg=2.15) USER MOD Single : A 82 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : B 131 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : B 137 SER OG : rot 43:sc= 0.0224 USER MOD Single : B 139 GLN : amide:sc= -0.212 K(o=-0.21,f=-8.6!) USER MOD Single : B 143 SER OG : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD Single : B 149 LYS NZ :NH3+ -135:sc= 1.09 (180deg=0.357) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.554 -16.313 -0.946 1.00 1.00 N ATOM 2 CA MET A 1 13.827 -15.024 -0.939 1.00 1.00 C ATOM 3 C MET A 1 14.673 -13.911 -0.318 1.00 1.00 C ATOM 4 O MET A 1 15.040 -14.009 0.852 1.00 1.00 O ATOM 5 CB MET A 1 12.458 -15.159 -0.248 1.00 1.00 C ATOM 6 CG MET A 1 11.676 -13.831 -0.196 1.00 1.00 C ATOM 7 SD MET A 1 9.927 -13.949 -0.645 1.00 1.00 S ATOM 8 CE MET A 1 10.157 -14.303 -2.412 1.00 1.00 C ATOM 0 H1 MET A 1 13.885 -17.088 -1.130 1.00 1.00 H new ATOM 0 H2 MET A 1 15.280 -16.298 -1.691 1.00 1.00 H new ATOM 0 H3 MET A 1 15.009 -16.460 -0.022 1.00 1.00 H new ATOM 0 HA MET A 1 13.638 -14.742 -1.975 1.00 1.00 H new ATOM 0 HB2 MET A 1 11.863 -15.904 -0.776 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.604 -15.528 0.767 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.749 -13.424 0.813 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.159 -13.117 -0.864 1.00 1.00 H new ATOM 0 HE1 MET A 1 9.229 -14.102 -2.947 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.950 -13.670 -2.810 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.430 -15.350 -2.541 1.00 1.00 H new ATOM 20 N GLN A 2 14.962 -12.834 -1.062 1.00 1.00 N ATOM 21 CA GLN A 2 15.668 -11.635 -0.554 1.00 1.00 C ATOM 22 C GLN A 2 14.781 -10.384 -0.668 1.00 1.00 C ATOM 23 O GLN A 2 14.368 -10.031 -1.757 1.00 1.00 O ATOM 24 CB GLN A 2 17.020 -11.459 -1.259 1.00 1.00 C ATOM 25 CG GLN A 2 18.156 -10.948 -0.343 1.00 1.00 C ATOM 26 CD GLN A 2 18.224 -9.430 -0.166 1.00 1.00 C ATOM 27 OE1 GLN A 2 17.437 -8.647 -0.660 1.00 1.00 O ATOM 28 NE2 GLN A 2 19.233 -8.913 0.482 1.00 1.00 N ATOM 0 H GLN A 2 14.711 -12.764 -2.048 1.00 1.00 H new ATOM 0 HA GLN A 2 15.877 -11.779 0.506 1.00 1.00 H new ATOM 0 HB2 GLN A 2 17.319 -12.415 -1.689 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.896 -10.761 -2.087 1.00 1.00 H new ATOM 0 HG2 GLN A 2 18.042 -11.406 0.639 1.00 1.00 H new ATOM 0 HG3 GLN A 2 19.108 -11.293 -0.747 1.00 1.00 H new ATOM 0 HE21 GLN A 2 19.926 -9.522 0.917 1.00 1.00 H new ATOM 0 HE22 GLN A 2 19.329 -7.900 0.553 1.00 1.00 H new ATOM 37 N THR A 3 14.490 -9.699 0.427 1.00 1.00 N ATOM 38 CA THR A 3 13.506 -8.580 0.503 1.00 1.00 C ATOM 39 C THR A 3 14.139 -7.268 0.973 1.00 1.00 C ATOM 40 O THR A 3 14.612 -7.178 2.106 1.00 1.00 O ATOM 41 CB THR A 3 12.307 -8.939 1.396 1.00 1.00 C ATOM 42 OG1 THR A 3 11.642 -10.061 0.860 1.00 1.00 O ATOM 43 CG2 THR A 3 11.255 -7.825 1.472 1.00 1.00 C ATOM 0 H THR A 3 14.933 -9.896 1.324 1.00 1.00 H new ATOM 0 HA THR A 3 13.149 -8.426 -0.515 1.00 1.00 H new ATOM 0 HB THR A 3 12.718 -9.118 2.389 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.211 -10.562 1.583 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.436 -8.142 2.117 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.710 -6.922 1.879 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.871 -7.619 0.473 1.00 1.00 H new ATOM 51 N VAL A 4 14.101 -6.226 0.134 1.00 1.00 N ATOM 52 CA VAL A 4 14.792 -4.924 0.320 1.00 1.00 C ATOM 53 C VAL A 4 13.810 -3.773 0.586 1.00 1.00 C ATOM 54 O VAL A 4 12.876 -3.567 -0.187 1.00 1.00 O ATOM 55 CB VAL A 4 15.727 -4.587 -0.870 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.642 -3.394 -0.537 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.629 -5.773 -1.257 1.00 1.00 C ATOM 0 H VAL A 4 13.567 -6.259 -0.734 1.00 1.00 H new ATOM 0 HA VAL A 4 15.412 -5.036 1.210 1.00 1.00 H new ATOM 0 HB VAL A 4 15.069 -4.344 -1.705 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.286 -3.181 -1.390 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.032 -2.518 -0.315 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.256 -3.637 0.330 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.265 -5.488 -2.095 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.252 -6.049 -0.406 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.010 -6.623 -1.544 1.00 1.00 H new ATOM 67 N ILE A 5 14.009 -3.013 1.669 1.00 1.00 N ATOM 68 CA ILE A 5 13.109 -1.955 2.188 1.00 1.00 C ATOM 69 C ILE A 5 13.770 -0.568 2.159 1.00 1.00 C ATOM 70 O ILE A 5 14.785 -0.340 2.820 1.00 1.00 O ATOM 71 CB ILE A 5 12.604 -2.269 3.623 1.00 1.00 C ATOM 72 CG1 ILE A 5 12.056 -3.716 3.820 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.545 -1.230 4.055 1.00 1.00 C ATOM 74 CD1 ILE A 5 12.973 -4.542 4.725 1.00 1.00 C ATOM 0 H ILE A 5 14.845 -3.119 2.244 1.00 1.00 H new ATOM 0 HA ILE A 5 12.249 -1.939 1.518 1.00 1.00 H new ATOM 0 HB ILE A 5 13.484 -2.203 4.263 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.057 -3.672 4.254 1.00 1.00 H new ATOM 0 HG13 ILE A 5 11.961 -4.206 2.851 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.199 -1.461 5.062 1.00 1.00 H new ATOM 0 HG22 ILE A 5 11.987 -0.234 4.042 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.702 -1.262 3.365 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.562 -5.545 4.841 1.00 1.00 H new ATOM 0 HD12 ILE A 5 13.965 -4.606 4.277 1.00 1.00 H new ATOM 0 HD13 ILE A 5 13.046 -4.064 5.702 1.00 1.00 H new ATOM 86 N PHE A 6 13.156 0.368 1.430 1.00 1.00 N ATOM 87 CA PHE A 6 13.653 1.727 1.175 1.00 1.00 C ATOM 88 C PHE A 6 13.053 2.771 2.157 1.00 1.00 C ATOM 89 O PHE A 6 11.893 3.178 2.028 1.00 1.00 O ATOM 90 CB PHE A 6 13.454 2.033 -0.324 1.00 1.00 C ATOM 91 CG PHE A 6 14.390 1.239 -1.237 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.068 -0.085 -1.620 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.624 1.793 -1.657 1.00 1.00 C ATOM 94 CE1 PHE A 6 14.955 -0.837 -2.418 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.512 1.043 -2.459 1.00 1.00 C ATOM 96 CZ PHE A 6 16.175 -0.272 -2.838 1.00 1.00 C ATOM 0 H PHE A 6 12.258 0.193 0.980 1.00 1.00 H new ATOM 0 HA PHE A 6 14.721 1.795 1.383 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.422 1.815 -0.597 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.611 3.098 -0.493 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.135 -0.523 -1.298 1.00 1.00 H new ATOM 0 HD2 PHE A 6 15.888 2.798 -1.361 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.699 -1.846 -2.707 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.447 1.476 -2.781 1.00 1.00 H new ATOM 0 HZ PHE A 6 16.853 -0.847 -3.451 1.00 1.00 H new ATOM 106 N GLY A 7 13.852 3.188 3.155 1.00 1.00 N ATOM 107 CA GLY A 7 13.608 4.214 4.194 1.00 1.00 C ATOM 108 C GLY A 7 12.538 3.920 5.261 1.00 1.00 C ATOM 109 O GLY A 7 11.360 4.171 4.999 1.00 1.00 O ATOM 0 H GLY A 7 14.778 2.776 3.269 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.551 4.399 4.708 1.00 1.00 H new ATOM 0 HA3 GLY A 7 13.332 5.141 3.690 1.00 1.00 H new ATOM 113 N ARG A 8 12.901 3.431 6.462 1.00 1.00 N ATOM 114 CA ARG A 8 11.953 3.154 7.581 1.00 1.00 C ATOM 115 C ARG A 8 11.384 4.449 8.212 1.00 1.00 C ATOM 116 O ARG A 8 10.170 4.578 8.318 1.00 1.00 O ATOM 117 CB ARG A 8 12.596 2.219 8.641 1.00 1.00 C ATOM 118 CG ARG A 8 11.559 1.503 9.540 1.00 1.00 C ATOM 119 CD ARG A 8 12.148 1.097 10.906 1.00 1.00 C ATOM 120 NE ARG A 8 11.248 0.270 11.763 1.00 1.00 N ATOM 121 CZ ARG A 8 11.247 0.188 13.081 1.00 1.00 C ATOM 122 NH1 ARG A 8 12.045 0.850 13.838 1.00 1.00 N ATOM 123 NH2 ARG A 8 10.446 -0.589 13.707 1.00 1.00 N ATOM 0 H ARG A 8 13.870 3.212 6.695 1.00 1.00 H new ATOM 0 HA ARG A 8 11.099 2.628 7.155 1.00 1.00 H new ATOM 0 HB2 ARG A 8 13.204 1.470 8.133 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.269 2.803 9.269 1.00 1.00 H new ATOM 0 HG2 ARG A 8 10.703 2.159 9.697 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.190 0.615 9.028 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.072 0.544 10.736 1.00 1.00 H new ATOM 0 HD3 ARG A 8 12.414 2.002 11.453 1.00 1.00 H new ATOM 0 HE ARG A 8 10.554 -0.297 11.275 1.00 1.00 H new ATOM 0 HH11 ARG A 8 12.730 1.484 13.426 1.00 1.00 H new ATOM 0 HH12 ARG A 8 11.994 0.742 14.851 1.00 1.00 H new ATOM 0 HH21 ARG A 8 9.785 -1.166 13.187 1.00 1.00 H new ATOM 0 HH22 ARG A 8 10.468 -0.631 14.726 1.00 1.00 H new ATOM 137 N SER A 9 12.259 5.386 8.601 1.00 1.00 N ATOM 138 CA SER A 9 11.987 6.631 9.358 1.00 1.00 C ATOM 139 C SER A 9 11.091 7.668 8.648 1.00 1.00 C ATOM 140 O SER A 9 11.321 8.031 7.488 1.00 1.00 O ATOM 141 CB SER A 9 13.313 7.314 9.730 1.00 1.00 C ATOM 142 OG SER A 9 13.144 8.229 10.799 1.00 1.00 O ATOM 0 H SER A 9 13.251 5.294 8.382 1.00 1.00 H new ATOM 0 HA SER A 9 11.428 6.299 10.233 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.047 6.558 10.009 1.00 1.00 H new ATOM 0 HB3 SER A 9 13.710 7.838 8.861 1.00 1.00 H new ATOM 0 HG SER A 9 14.005 8.645 11.013 1.00 1.00 H new ATOM 148 N GLY A 10 10.114 8.198 9.388 1.00 1.00 N ATOM 149 CA GLY A 10 9.194 9.293 9.040 1.00 1.00 C ATOM 150 C GLY A 10 7.744 8.901 8.728 1.00 1.00 C ATOM 151 O GLY A 10 6.911 9.794 8.573 1.00 1.00 O ATOM 0 H GLY A 10 9.927 7.845 10.326 1.00 1.00 H new ATOM 0 HA2 GLY A 10 9.184 10.005 9.866 1.00 1.00 H new ATOM 0 HA3 GLY A 10 9.599 9.816 8.174 1.00 1.00 H new ATOM 155 N CYS A 11 7.433 7.605 8.599 1.00 1.00 N ATOM 156 CA CYS A 11 6.156 7.053 8.148 1.00 1.00 C ATOM 157 C CYS A 11 5.825 5.611 8.635 1.00 1.00 C ATOM 158 O CYS A 11 6.530 4.655 8.282 1.00 1.00 O ATOM 159 CB CYS A 11 6.112 7.235 6.624 1.00 1.00 C ATOM 160 SG CYS A 11 7.588 6.580 5.760 1.00 1.00 S ATOM 0 H CYS A 11 8.108 6.873 8.821 1.00 1.00 H new ATOM 0 HA CYS A 11 5.345 7.604 8.624 1.00 1.00 H new ATOM 0 HB2 CYS A 11 5.224 6.739 6.233 1.00 1.00 H new ATOM 0 HB3 CYS A 11 6.010 8.296 6.397 1.00 1.00 H new ATOM 165 N PRO A 12 4.700 5.401 9.367 1.00 1.00 N ATOM 166 CA PRO A 12 4.349 4.129 10.008 1.00 1.00 C ATOM 167 C PRO A 12 4.016 3.016 8.999 1.00 1.00 C ATOM 168 O PRO A 12 4.269 1.852 9.288 1.00 1.00 O ATOM 169 CB PRO A 12 3.157 4.444 10.919 1.00 1.00 C ATOM 170 CG PRO A 12 2.422 5.538 10.145 1.00 1.00 C ATOM 171 CD PRO A 12 3.565 6.310 9.483 1.00 1.00 C ATOM 0 HA PRO A 12 5.197 3.736 10.568 1.00 1.00 H new ATOM 0 HB2 PRO A 12 2.527 3.569 11.079 1.00 1.00 H new ATOM 0 HB3 PRO A 12 3.479 4.789 11.902 1.00 1.00 H new ATOM 0 HG2 PRO A 12 1.736 5.121 9.408 1.00 1.00 H new ATOM 0 HG3 PRO A 12 1.833 6.175 10.805 1.00 1.00 H new ATOM 0 HD2 PRO A 12 3.263 6.674 8.501 1.00 1.00 H new ATOM 0 HD3 PRO A 12 3.833 7.183 10.078 1.00 1.00 H new ATOM 179 N TYR A 13 3.530 3.340 7.788 1.00 1.00 N ATOM 180 CA TYR A 13 3.325 2.350 6.706 1.00 1.00 C ATOM 181 C TYR A 13 4.660 1.744 6.226 1.00 1.00 C ATOM 182 O TYR A 13 4.732 0.539 5.986 1.00 1.00 O ATOM 183 CB TYR A 13 2.453 2.935 5.585 1.00 1.00 C ATOM 184 CG TYR A 13 1.038 3.242 6.069 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.102 2.189 6.227 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.688 4.553 6.474 1.00 1.00 C ATOM 187 CE1 TYR A 13 -1.173 2.441 6.792 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.579 4.802 7.049 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.509 3.749 7.215 1.00 1.00 C ATOM 190 OH TYR A 13 -2.715 3.998 7.783 1.00 1.00 O ATOM 0 H TYR A 13 3.268 4.291 7.528 1.00 1.00 H new ATOM 0 HA TYR A 13 2.764 1.505 7.105 1.00 1.00 H new ATOM 0 HB2 TYR A 13 2.913 3.847 5.205 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.408 2.231 4.754 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.362 1.188 5.915 1.00 1.00 H new ATOM 0 HD2 TYR A 13 1.390 5.363 6.343 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -1.886 1.637 6.899 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -0.839 5.802 7.363 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.778 4.948 8.014 1.00 1.00 H new ATOM 200 N SER A 14 5.726 2.559 6.144 1.00 1.00 N ATOM 201 CA SER A 14 7.112 2.120 5.881 1.00 1.00 C ATOM 202 C SER A 14 7.669 1.261 7.022 1.00 1.00 C ATOM 203 O SER A 14 8.188 0.170 6.769 1.00 1.00 O ATOM 204 CB SER A 14 8.069 3.302 5.709 1.00 1.00 C ATOM 205 OG SER A 14 9.121 2.878 4.868 1.00 1.00 O ATOM 0 H SER A 14 5.648 3.569 6.262 1.00 1.00 H new ATOM 0 HA SER A 14 7.055 1.541 4.959 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.550 4.155 5.273 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.457 3.625 6.675 1.00 1.00 H new ATOM 0 HG SER A 14 9.818 3.566 4.844 1.00 1.00 H new ATOM 211 N VAL A 15 7.511 1.718 8.284 1.00 1.00 N ATOM 212 CA VAL A 15 7.861 0.930 9.488 1.00 1.00 C ATOM 213 C VAL A 15 7.179 -0.435 9.476 1.00 1.00 C ATOM 214 O VAL A 15 7.891 -1.428 9.535 1.00 1.00 O ATOM 215 CB VAL A 15 7.491 1.641 10.818 1.00 1.00 C ATOM 216 CG1 VAL A 15 7.628 0.669 12.009 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.334 2.898 11.064 1.00 1.00 C ATOM 0 H VAL A 15 7.138 2.643 8.497 1.00 1.00 H new ATOM 0 HA VAL A 15 8.944 0.818 9.446 1.00 1.00 H new ATOM 0 HB VAL A 15 6.452 1.958 10.728 1.00 1.00 H new ATOM 0 HG11 VAL A 15 7.365 1.185 12.932 1.00 1.00 H new ATOM 0 HG12 VAL A 15 6.960 -0.180 11.865 1.00 1.00 H new ATOM 0 HG13 VAL A 15 8.657 0.314 12.073 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.036 3.357 12.006 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.388 2.626 11.111 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.178 3.606 10.250 1.00 1.00 H new ATOM 227 N ARG A 16 5.851 -0.500 9.290 1.00 1.00 N ATOM 228 CA ARG A 16 5.061 -1.751 9.275 1.00 1.00 C ATOM 229 C ARG A 16 5.480 -2.665 8.130 1.00 1.00 C ATOM 230 O ARG A 16 5.683 -3.846 8.358 1.00 1.00 O ATOM 231 CB ARG A 16 3.552 -1.450 9.246 1.00 1.00 C ATOM 232 CG ARG A 16 3.092 -0.835 10.578 1.00 1.00 C ATOM 233 CD ARG A 16 1.642 -0.349 10.533 1.00 1.00 C ATOM 234 NE ARG A 16 0.692 -1.423 10.887 1.00 1.00 N ATOM 235 CZ ARG A 16 -0.346 -1.322 11.676 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.863 -0.202 12.034 1.00 1.00 N ATOM 237 NH2 ARG A 16 -0.900 -2.395 12.094 1.00 1.00 N ATOM 0 H ARG A 16 5.280 0.332 9.142 1.00 1.00 H new ATOM 0 HA ARG A 16 5.270 -2.288 10.200 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.329 -0.765 8.428 1.00 1.00 H new ATOM 0 HB3 ARG A 16 2.997 -2.368 9.053 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.199 -1.575 11.371 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.744 0.001 10.832 1.00 1.00 H new ATOM 0 HD2 ARG A 16 1.518 0.487 11.221 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.414 0.023 9.534 1.00 1.00 H new ATOM 0 HE ARG A 16 0.863 -2.339 10.473 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -0.463 0.675 11.700 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.674 -0.189 12.653 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.531 -3.303 11.811 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -1.711 -2.343 12.710 1.00 1.00 H new ATOM 251 N ALA A 17 5.727 -2.125 6.938 1.00 1.00 N ATOM 252 CA ALA A 17 6.289 -2.849 5.798 1.00 1.00 C ATOM 253 C ALA A 17 7.687 -3.476 6.098 1.00 1.00 C ATOM 254 O ALA A 17 7.887 -4.662 5.825 1.00 1.00 O ATOM 255 CB ALA A 17 6.256 -1.882 4.611 1.00 1.00 C ATOM 0 H ALA A 17 5.537 -1.144 6.732 1.00 1.00 H new ATOM 0 HA ALA A 17 5.694 -3.730 5.559 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.666 -2.374 3.729 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.227 -1.583 4.414 1.00 1.00 H new ATOM 0 HB3 ALA A 17 6.852 -0.999 4.844 1.00 1.00 H new ATOM 261 N LYS A 18 8.629 -2.722 6.708 1.00 1.00 N ATOM 262 CA LYS A 18 9.939 -3.221 7.212 1.00 1.00 C ATOM 263 C LYS A 18 9.781 -4.287 8.307 1.00 1.00 C ATOM 264 O LYS A 18 10.369 -5.359 8.232 1.00 1.00 O ATOM 265 CB LYS A 18 10.825 -2.068 7.744 1.00 1.00 C ATOM 266 CG LYS A 18 12.302 -2.506 7.950 1.00 1.00 C ATOM 267 CD LYS A 18 12.807 -2.369 9.405 1.00 1.00 C ATOM 268 CE LYS A 18 12.441 -3.604 10.252 1.00 1.00 C ATOM 269 NZ LYS A 18 12.290 -3.315 11.698 1.00 1.00 N ATOM 0 H LYS A 18 8.501 -1.723 6.870 1.00 1.00 H new ATOM 0 HA LYS A 18 10.429 -3.682 6.354 1.00 1.00 H new ATOM 0 HB2 LYS A 18 10.790 -1.233 7.044 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.420 -1.708 8.690 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.408 -3.545 7.637 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.940 -1.910 7.298 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.889 -2.235 9.404 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.376 -1.476 9.858 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.509 -4.027 9.876 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.212 -4.364 10.121 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.736 -4.074 12.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 12.749 -2.409 11.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.279 -3.259 11.937 1.00 1.00 H new ATOM 283 N ASP A 19 9.034 -3.957 9.355 1.00 1.00 N ATOM 284 CA ASP A 19 8.655 -4.785 10.506 1.00 1.00 C ATOM 285 C ASP A 19 8.018 -6.133 10.096 1.00 1.00 C ATOM 286 O ASP A 19 8.365 -7.175 10.652 1.00 1.00 O ATOM 287 CB ASP A 19 7.732 -3.938 11.413 1.00 1.00 C ATOM 288 CG ASP A 19 8.481 -2.882 12.258 1.00 1.00 C ATOM 289 OD1 ASP A 19 9.658 -2.540 11.965 1.00 1.00 O ATOM 290 OD2 ASP A 19 7.880 -2.317 13.201 1.00 1.00 O ATOM 0 H ASP A 19 8.640 -3.019 9.432 1.00 1.00 H new ATOM 0 HA ASP A 19 9.550 -5.071 11.058 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.992 -3.433 10.792 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.186 -4.604 12.082 1.00 1.00 H new ATOM 295 N LEU A 20 7.128 -6.124 9.098 1.00 1.00 N ATOM 296 CA LEU A 20 6.540 -7.300 8.443 1.00 1.00 C ATOM 297 C LEU A 20 7.607 -8.187 7.741 1.00 1.00 C ATOM 298 O LEU A 20 7.565 -9.411 7.883 1.00 1.00 O ATOM 299 CB LEU A 20 5.445 -6.852 7.439 1.00 1.00 C ATOM 300 CG LEU A 20 3.977 -6.794 7.931 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.731 -6.190 9.323 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.141 -6.029 6.889 1.00 1.00 C ATOM 0 H LEU A 20 6.779 -5.250 8.704 1.00 1.00 H new ATOM 0 HA LEU A 20 6.087 -7.917 9.219 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.713 -5.860 7.075 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.483 -7.526 6.583 1.00 1.00 H new ATOM 0 HG LEU A 20 3.678 -7.837 8.040 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.664 -6.209 9.545 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.268 -6.772 10.072 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.086 -5.160 9.341 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.104 -5.979 7.220 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.535 -5.019 6.777 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.191 -6.547 5.931 1.00 1.00 H new ATOM 314 N ALA A 21 8.544 -7.600 6.977 1.00 1.00 N ATOM 315 CA ALA A 21 9.708 -8.295 6.398 1.00 1.00 C ATOM 316 C ALA A 21 10.640 -8.900 7.486 1.00 1.00 C ATOM 317 O ALA A 21 11.033 -10.063 7.387 1.00 1.00 O ATOM 318 CB ALA A 21 10.424 -7.336 5.435 1.00 1.00 C ATOM 0 H ALA A 21 8.513 -6.609 6.739 1.00 1.00 H new ATOM 0 HA ALA A 21 9.370 -9.160 5.828 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.288 -7.837 4.998 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.738 -7.038 4.642 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.754 -6.452 5.980 1.00 1.00 H new ATOM 324 N GLU A 22 10.947 -8.148 8.554 1.00 1.00 N ATOM 325 CA GLU A 22 11.669 -8.618 9.759 1.00 1.00 C ATOM 326 C GLU A 22 10.963 -9.829 10.415 1.00 1.00 C ATOM 327 O GLU A 22 11.593 -10.868 10.613 1.00 1.00 O ATOM 328 CB GLU A 22 11.881 -7.441 10.740 1.00 1.00 C ATOM 329 CG GLU A 22 12.666 -7.827 12.012 1.00 1.00 C ATOM 330 CD GLU A 22 13.462 -6.642 12.582 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.855 -5.626 12.995 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.716 -6.669 12.500 1.00 1.00 O ATOM 0 H GLU A 22 10.693 -7.162 8.610 1.00 1.00 H new ATOM 0 HA GLU A 22 12.653 -8.979 9.461 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.413 -6.641 10.224 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.909 -7.042 11.031 1.00 1.00 H new ATOM 0 HG2 GLU A 22 11.972 -8.194 12.768 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.349 -8.645 11.782 1.00 1.00 H new ATOM 339 N LYS A 23 9.637 -9.741 10.626 1.00 1.00 N ATOM 340 CA LYS A 23 8.712 -10.801 11.094 1.00 1.00 C ATOM 341 C LYS A 23 8.783 -12.088 10.252 1.00 1.00 C ATOM 342 O LYS A 23 8.899 -13.169 10.832 1.00 1.00 O ATOM 343 CB LYS A 23 7.292 -10.197 11.165 1.00 1.00 C ATOM 344 CG LYS A 23 6.156 -11.159 11.555 1.00 1.00 C ATOM 345 CD LYS A 23 4.833 -10.403 11.811 1.00 1.00 C ATOM 346 CE LYS A 23 4.039 -10.010 10.555 1.00 1.00 C ATOM 347 NZ LYS A 23 3.438 -11.190 9.884 1.00 1.00 N ATOM 0 H LYS A 23 9.143 -8.864 10.463 1.00 1.00 H new ATOM 0 HA LYS A 23 9.015 -11.130 12.088 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.306 -9.376 11.882 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.055 -9.766 10.192 1.00 1.00 H new ATOM 0 HG2 LYS A 23 6.010 -11.891 10.761 1.00 1.00 H new ATOM 0 HG3 LYS A 23 6.439 -11.713 12.450 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.197 -11.024 12.442 1.00 1.00 H new ATOM 0 HD3 LYS A 23 5.056 -9.498 12.376 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.251 -9.309 10.829 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.697 -9.493 9.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.884 -10.877 9.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 4.193 -11.832 9.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.816 -11.689 10.551 1.00 1.00 H new ATOM 361 N LEU A 24 8.766 -11.982 8.915 1.00 1.00 N ATOM 362 CA LEU A 24 8.982 -13.092 7.961 1.00 1.00 C ATOM 363 C LEU A 24 10.413 -13.684 8.012 1.00 1.00 C ATOM 364 O LEU A 24 10.544 -14.907 8.037 1.00 1.00 O ATOM 365 CB LEU A 24 8.607 -12.653 6.527 1.00 1.00 C ATOM 366 CG LEU A 24 7.101 -12.751 6.188 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.876 -12.269 4.755 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.531 -14.174 6.270 1.00 1.00 C ATOM 0 H LEU A 24 8.596 -11.092 8.447 1.00 1.00 H new ATOM 0 HA LEU A 24 8.319 -13.900 8.271 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.931 -11.622 6.382 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.165 -13.265 5.818 1.00 1.00 H new ATOM 0 HG LEU A 24 6.592 -12.138 6.932 1.00 1.00 H new ATOM 0 HD11 LEU A 24 5.816 -12.336 4.511 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.205 -11.234 4.663 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.447 -12.893 4.067 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.471 -14.156 6.018 1.00 1.00 H new ATOM 0 HD22 LEU A 24 7.060 -14.819 5.568 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.657 -14.559 7.282 1.00 1.00 H new ATOM 380 N SER A 25 11.474 -12.860 8.066 1.00 1.00 N ATOM 381 CA SER A 25 12.873 -13.319 8.281 1.00 1.00 C ATOM 382 C SER A 25 13.084 -14.048 9.625 1.00 1.00 C ATOM 383 O SER A 25 13.893 -14.972 9.722 1.00 1.00 O ATOM 384 CB SER A 25 13.870 -12.166 8.132 1.00 1.00 C ATOM 385 OG SER A 25 15.140 -12.685 7.780 1.00 1.00 O ATOM 0 H SER A 25 11.393 -11.849 7.962 1.00 1.00 H new ATOM 0 HA SER A 25 13.063 -14.053 7.498 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.525 -11.469 7.368 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.939 -11.607 9.065 1.00 1.00 H new ATOM 0 HG SER A 25 15.042 -13.312 7.033 1.00 1.00 H new ATOM 391 N ASN A 26 12.356 -13.625 10.665 1.00 1.00 N ATOM 392 CA ASN A 26 12.228 -14.251 11.986 1.00 1.00 C ATOM 393 C ASN A 26 11.498 -15.625 11.879 1.00 1.00 C ATOM 394 O ASN A 26 11.905 -16.597 12.509 1.00 1.00 O ATOM 395 CB ASN A 26 11.524 -13.226 12.920 1.00 1.00 C ATOM 396 CG ASN A 26 10.708 -13.840 14.044 1.00 1.00 C ATOM 397 OD1 ASN A 26 11.215 -14.222 15.089 1.00 1.00 O ATOM 398 ND2 ASN A 26 9.428 -14.017 13.846 1.00 1.00 N ATOM 0 H ASN A 26 11.800 -12.773 10.600 1.00 1.00 H new ATOM 0 HA ASN A 26 13.201 -14.490 12.416 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.281 -12.573 13.355 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.869 -12.597 12.317 1.00 1.00 H new ATOM 0 HD21 ASN A 26 8.859 -14.471 14.561 1.00 1.00 H new ATOM 0 HD22 ASN A 26 8.998 -13.701 12.977 1.00 1.00 H new ATOM 405 N GLU A 27 10.400 -15.701 11.118 1.00 1.00 N ATOM 406 CA GLU A 27 9.503 -16.865 10.958 1.00 1.00 C ATOM 407 C GLU A 27 10.050 -17.958 10.002 1.00 1.00 C ATOM 408 O GLU A 27 9.780 -19.145 10.220 1.00 1.00 O ATOM 409 CB GLU A 27 8.136 -16.320 10.461 1.00 1.00 C ATOM 410 CG GLU A 27 7.112 -17.340 9.927 1.00 1.00 C ATOM 411 CD GLU A 27 5.855 -16.663 9.356 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.154 -15.966 10.130 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.555 -16.874 8.152 1.00 1.00 O ATOM 0 H GLU A 27 10.090 -14.905 10.561 1.00 1.00 H new ATOM 0 HA GLU A 27 9.411 -17.369 11.920 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.671 -15.777 11.284 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.331 -15.595 9.671 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.579 -17.947 9.151 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.824 -18.017 10.731 1.00 1.00 H new ATOM 420 N ARG A 28 10.836 -17.603 8.965 1.00 1.00 N ATOM 421 CA ARG A 28 11.277 -18.513 7.872 1.00 1.00 C ATOM 422 C ARG A 28 12.794 -18.664 7.659 1.00 1.00 C ATOM 423 O ARG A 28 13.612 -17.863 8.097 1.00 1.00 O ATOM 424 CB ARG A 28 10.551 -18.146 6.551 1.00 1.00 C ATOM 425 CG ARG A 28 9.032 -17.956 6.736 1.00 1.00 C ATOM 426 CD ARG A 28 8.261 -17.829 5.426 1.00 1.00 C ATOM 427 NE ARG A 28 6.837 -17.570 5.703 1.00 1.00 N ATOM 428 CZ ARG A 28 5.779 -17.898 5.012 1.00 1.00 C ATOM 429 NH1 ARG A 28 5.805 -18.527 3.890 1.00 1.00 N ATOM 430 NH2 ARG A 28 4.630 -17.591 5.484 1.00 1.00 N ATOM 0 H ARG A 28 11.194 -16.654 8.856 1.00 1.00 H new ATOM 0 HA ARG A 28 10.984 -19.506 8.211 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.981 -17.229 6.148 1.00 1.00 H new ATOM 0 HB3 ARG A 28 10.727 -18.930 5.815 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.636 -18.801 7.299 1.00 1.00 H new ATOM 0 HG3 ARG A 28 8.858 -17.063 7.337 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.677 -17.019 4.827 1.00 1.00 H new ATOM 0 HD3 ARG A 28 8.366 -18.744 4.842 1.00 1.00 H new ATOM 0 HE ARG A 28 6.650 -17.057 6.565 1.00 1.00 H new ATOM 0 HH11 ARG A 28 6.697 -18.805 3.482 1.00 1.00 H new ATOM 0 HH12 ARG A 28 4.933 -18.748 3.409 1.00 1.00 H new ATOM 0 HH21 ARG A 28 4.559 -17.103 6.377 1.00 1.00 H new ATOM 0 HH22 ARG A 28 3.785 -17.834 4.967 1.00 1.00 H new ATOM 444 N ASP A 29 13.136 -19.735 6.954 1.00 1.00 N ATOM 445 CA ASP A 29 14.449 -20.191 6.451 1.00 1.00 C ATOM 446 C ASP A 29 14.887 -19.537 5.118 1.00 1.00 C ATOM 447 O ASP A 29 16.068 -19.287 4.884 1.00 1.00 O ATOM 448 CB ASP A 29 14.345 -21.721 6.241 1.00 1.00 C ATOM 449 CG ASP A 29 13.303 -22.123 5.172 1.00 1.00 C ATOM 450 OD1 ASP A 29 12.133 -21.673 5.246 1.00 1.00 O ATOM 451 OD2 ASP A 29 13.658 -22.856 4.217 1.00 1.00 O ATOM 0 H ASP A 29 12.411 -20.398 6.680 1.00 1.00 H new ATOM 0 HA ASP A 29 15.201 -19.903 7.185 1.00 1.00 H new ATOM 0 HB2 ASP A 29 15.322 -22.108 5.950 1.00 1.00 H new ATOM 0 HB3 ASP A 29 14.084 -22.194 7.188 1.00 1.00 H new ATOM 456 N ASP A 30 13.929 -19.333 4.210 1.00 1.00 N ATOM 457 CA ASP A 30 14.100 -18.812 2.841 1.00 1.00 C ATOM 458 C ASP A 30 14.193 -17.286 2.723 1.00 1.00 C ATOM 459 O ASP A 30 14.747 -16.764 1.760 1.00 1.00 O ATOM 460 CB ASP A 30 12.872 -19.237 2.022 1.00 1.00 C ATOM 461 CG ASP A 30 13.213 -19.296 0.533 1.00 1.00 C ATOM 462 OD1 ASP A 30 14.006 -20.192 0.166 1.00 1.00 O ATOM 463 OD2 ASP A 30 12.757 -18.426 -0.242 1.00 1.00 O ATOM 0 H ASP A 30 12.952 -19.538 4.419 1.00 1.00 H new ATOM 0 HA ASP A 30 15.048 -19.217 2.488 1.00 1.00 H new ATOM 0 HB2 ASP A 30 12.523 -20.213 2.360 1.00 1.00 H new ATOM 0 HB3 ASP A 30 12.057 -18.532 2.186 1.00 1.00 H new ATOM 468 N PHE A 31 13.673 -16.590 3.727 1.00 1.00 N ATOM 469 CA PHE A 31 13.479 -15.139 3.753 1.00 1.00 C ATOM 470 C PHE A 31 14.608 -14.391 4.492 1.00 1.00 C ATOM 471 O PHE A 31 14.750 -14.450 5.718 1.00 1.00 O ATOM 472 CB PHE A 31 12.082 -14.848 4.345 1.00 1.00 C ATOM 473 CG PHE A 31 11.602 -13.422 4.123 1.00 1.00 C ATOM 474 CD1 PHE A 31 12.234 -12.356 4.800 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.535 -13.145 3.234 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.828 -11.030 4.581 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.117 -11.814 3.022 1.00 1.00 C ATOM 478 CZ PHE A 31 10.773 -10.762 3.696 1.00 1.00 C ATOM 0 H PHE A 31 13.359 -17.040 4.587 1.00 1.00 H new ATOM 0 HA PHE A 31 13.527 -14.755 2.734 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.361 -15.536 3.904 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.103 -15.051 5.416 1.00 1.00 H new ATOM 0 HD1 PHE A 31 13.037 -12.563 5.492 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.040 -13.954 2.717 1.00 1.00 H new ATOM 0 HE1 PHE A 31 12.326 -10.219 5.092 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.300 -11.602 2.348 1.00 1.00 H new ATOM 0 HZ PHE A 31 10.460 -9.742 3.529 1.00 1.00 H new ATOM 488 N GLN A 32 15.401 -13.646 3.720 1.00 1.00 N ATOM 489 CA GLN A 32 16.460 -12.711 4.144 1.00 1.00 C ATOM 490 C GLN A 32 16.089 -11.254 3.778 1.00 1.00 C ATOM 491 O GLN A 32 15.702 -10.958 2.651 1.00 1.00 O ATOM 492 CB GLN A 32 17.813 -13.159 3.554 1.00 1.00 C ATOM 493 CG GLN A 32 18.313 -14.516 4.098 1.00 1.00 C ATOM 494 CD GLN A 32 18.502 -14.519 5.617 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.518 -14.094 6.148 1.00 1.00 O ATOM 496 NE2 GLN A 32 17.543 -14.954 6.395 1.00 1.00 N ATOM 0 H GLN A 32 15.318 -13.679 2.704 1.00 1.00 H new ATOM 0 HA GLN A 32 16.557 -12.732 5.230 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.722 -13.224 2.470 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.562 -12.395 3.766 1.00 1.00 H new ATOM 0 HG2 GLN A 32 17.601 -15.295 3.825 1.00 1.00 H new ATOM 0 HG3 GLN A 32 19.260 -14.766 3.619 1.00 1.00 H new ATOM 0 HE21 GLN A 32 16.681 -15.316 5.988 1.00 1.00 H new ATOM 0 HE22 GLN A 32 17.658 -14.931 7.408 1.00 1.00 H new ATOM 505 N TYR A 33 16.209 -10.339 4.739 1.00 1.00 N ATOM 506 CA TYR A 33 15.769 -8.932 4.716 1.00 1.00 C ATOM 507 C TYR A 33 16.899 -7.882 4.706 1.00 1.00 C ATOM 508 O TYR A 33 17.899 -8.033 5.410 1.00 1.00 O ATOM 509 CB TYR A 33 14.632 -8.675 5.733 1.00 1.00 C ATOM 510 CG TYR A 33 14.920 -7.803 6.946 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.014 -6.398 6.802 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.008 -8.378 8.234 1.00 1.00 C ATOM 513 CE1 TYR A 33 15.158 -5.568 7.936 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.137 -7.550 9.371 1.00 1.00 C ATOM 515 CZ TYR A 33 15.206 -6.146 9.225 1.00 1.00 C ATOM 516 OH TYR A 33 15.295 -5.349 10.319 1.00 1.00 O ATOM 0 H TYR A 33 16.651 -10.575 5.628 1.00 1.00 H new ATOM 0 HA TYR A 33 15.331 -8.773 3.730 1.00 1.00 H new ATOM 0 HB2 TYR A 33 13.800 -8.224 5.192 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.288 -9.644 6.096 1.00 1.00 H new ATOM 0 HD1 TYR A 33 14.975 -5.957 5.817 1.00 1.00 H new ATOM 0 HD2 TYR A 33 14.977 -9.451 8.349 1.00 1.00 H new ATOM 0 HE1 TYR A 33 15.231 -4.497 7.819 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.183 -7.991 10.356 1.00 1.00 H new ATOM 0 HH TYR A 33 15.477 -5.898 11.110 1.00 1.00 H new ATOM 526 N GLN A 34 16.775 -6.836 3.876 1.00 1.00 N ATOM 527 CA GLN A 34 17.774 -5.776 3.678 1.00 1.00 C ATOM 528 C GLN A 34 17.118 -4.390 3.827 1.00 1.00 C ATOM 529 O GLN A 34 16.075 -4.104 3.237 1.00 1.00 O ATOM 530 CB GLN A 34 18.318 -5.853 2.237 1.00 1.00 C ATOM 531 CG GLN A 34 19.655 -5.116 2.050 1.00 1.00 C ATOM 532 CD GLN A 34 20.056 -5.081 0.577 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.367 -6.092 -0.034 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.056 -3.938 -0.063 1.00 1.00 N ATOM 0 H GLN A 34 15.943 -6.700 3.302 1.00 1.00 H new ATOM 0 HA GLN A 34 18.564 -5.911 4.416 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.446 -6.899 1.960 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.580 -5.431 1.555 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.571 -4.099 2.432 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.433 -5.612 2.631 1.00 1.00 H new ATOM 0 HE21 GLN A 34 19.800 -3.080 0.426 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.312 -3.906 -1.050 1.00 1.00 H new ATOM 543 N TYR A 35 17.755 -3.500 4.579 1.00 1.00 N ATOM 544 CA TYR A 35 17.282 -2.146 4.875 1.00 1.00 C ATOM 545 C TYR A 35 18.188 -1.069 4.229 1.00 1.00 C ATOM 546 O TYR A 35 19.399 -1.056 4.454 1.00 1.00 O ATOM 547 CB TYR A 35 17.116 -1.954 6.397 1.00 1.00 C ATOM 548 CG TYR A 35 16.708 -0.526 6.702 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.554 -0.006 6.073 1.00 1.00 C ATOM 550 CD2 TYR A 35 17.603 0.342 7.369 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.356 1.384 6.012 1.00 1.00 C ATOM 552 CE2 TYR A 35 17.365 1.735 7.371 1.00 1.00 C ATOM 553 CZ TYR A 35 16.261 2.259 6.656 1.00 1.00 C ATOM 554 OH TYR A 35 16.083 3.598 6.546 1.00 1.00 O ATOM 0 H TYR A 35 18.652 -3.707 5.019 1.00 1.00 H new ATOM 0 HA TYR A 35 16.298 -2.017 4.424 1.00 1.00 H new ATOM 0 HB2 TYR A 35 16.364 -2.644 6.778 1.00 1.00 H new ATOM 0 HB3 TYR A 35 18.051 -2.189 6.905 1.00 1.00 H new ATOM 0 HD1 TYR A 35 14.826 -0.676 5.640 1.00 1.00 H new ATOM 0 HD2 TYR A 35 18.468 -0.059 7.877 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.511 1.785 5.472 1.00 1.00 H new ATOM 0 HE2 TYR A 35 18.022 2.397 7.915 1.00 1.00 H new ATOM 0 HH TYR A 35 16.786 4.064 7.045 1.00 1.00 H new ATOM 564 N VAL A 36 17.608 -0.186 3.406 1.00 1.00 N ATOM 565 CA VAL A 36 18.279 0.898 2.646 1.00 1.00 C ATOM 566 C VAL A 36 17.689 2.273 3.002 1.00 1.00 C ATOM 567 O VAL A 36 16.526 2.549 2.703 1.00 1.00 O ATOM 568 CB VAL A 36 18.220 0.653 1.116 1.00 1.00 C ATOM 569 CG1 VAL A 36 19.021 1.740 0.377 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.770 -0.733 0.715 1.00 1.00 C ATOM 0 H VAL A 36 16.602 -0.202 3.237 1.00 1.00 H new ATOM 0 HA VAL A 36 19.329 0.891 2.938 1.00 1.00 H new ATOM 0 HB VAL A 36 17.168 0.691 0.832 1.00 1.00 H new ATOM 0 HG11 VAL A 36 18.974 1.560 -0.697 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.597 2.719 0.600 1.00 1.00 H new ATOM 0 HG13 VAL A 36 20.060 1.712 0.704 1.00 1.00 H new ATOM 0 HG21 VAL A 36 18.705 -0.851 -0.367 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.811 -0.815 1.027 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.183 -1.512 1.201 1.00 1.00 H new ATOM 580 N ASP A 37 18.461 3.158 3.641 1.00 1.00 N ATOM 581 CA ASP A 37 18.003 4.513 4.024 1.00 1.00 C ATOM 582 C ASP A 37 17.863 5.507 2.848 1.00 1.00 C ATOM 583 O ASP A 37 18.821 6.145 2.435 1.00 1.00 O ATOM 584 CB ASP A 37 18.765 5.169 5.204 1.00 1.00 C ATOM 585 CG ASP A 37 19.798 4.366 5.998 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.849 3.982 5.431 1.00 1.00 O ATOM 587 OD2 ASP A 37 19.604 4.237 7.226 1.00 1.00 O ATOM 0 H ASP A 37 19.425 2.962 3.911 1.00 1.00 H new ATOM 0 HA ASP A 37 16.998 4.300 4.389 1.00 1.00 H new ATOM 0 HB2 ASP A 37 19.274 6.049 4.810 1.00 1.00 H new ATOM 0 HB3 ASP A 37 18.017 5.524 5.913 1.00 1.00 H new ATOM 592 N ILE A 38 16.647 5.754 2.361 1.00 1.00 N ATOM 593 CA ILE A 38 16.362 6.789 1.333 1.00 1.00 C ATOM 594 C ILE A 38 16.410 8.214 1.911 1.00 1.00 C ATOM 595 O ILE A 38 16.923 9.129 1.271 1.00 1.00 O ATOM 596 CB ILE A 38 15.052 6.479 0.559 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.769 6.606 1.412 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.198 5.087 -0.069 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.097 7.972 1.272 1.00 1.00 C ATOM 0 H ILE A 38 15.817 5.244 2.663 1.00 1.00 H new ATOM 0 HA ILE A 38 17.165 6.750 0.597 1.00 1.00 H new ATOM 0 HB ILE A 38 14.920 7.235 -0.215 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.064 5.828 1.118 1.00 1.00 H new ATOM 0 HG13 ILE A 38 14.016 6.433 2.460 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.291 4.840 -0.621 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.050 5.082 -0.749 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.357 4.348 0.717 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.202 8.003 1.893 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.788 8.752 1.592 1.00 1.00 H new ATOM 0 HD13 ILE A 38 12.821 8.137 0.230 1.00 1.00 H new ATOM 611 N ARG A 39 15.982 8.376 3.174 1.00 1.00 N ATOM 612 CA ARG A 39 16.062 9.589 4.012 1.00 1.00 C ATOM 613 C ARG A 39 17.476 9.813 4.626 1.00 1.00 C ATOM 614 O ARG A 39 17.651 10.728 5.428 1.00 1.00 O ATOM 615 CB ARG A 39 14.876 9.548 5.023 1.00 1.00 C ATOM 616 CG ARG A 39 14.827 10.674 6.081 1.00 1.00 C ATOM 617 CD ARG A 39 13.436 10.930 6.692 1.00 1.00 C ATOM 618 NE ARG A 39 12.715 11.993 5.963 1.00 1.00 N ATOM 619 CZ ARG A 39 11.430 12.204 5.819 1.00 1.00 C ATOM 620 NH1 ARG A 39 10.504 11.441 6.281 1.00 1.00 N ATOM 621 NH2 ARG A 39 11.011 13.214 5.150 1.00 1.00 N ATOM 0 H ARG A 39 15.538 7.607 3.675 1.00 1.00 H new ATOM 0 HA ARG A 39 15.944 10.487 3.406 1.00 1.00 H new ATOM 0 HB2 ARG A 39 13.945 9.572 4.457 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.907 8.592 5.545 1.00 1.00 H new ATOM 0 HG2 ARG A 39 15.521 10.428 6.885 1.00 1.00 H new ATOM 0 HG3 ARG A 39 15.183 11.598 5.624 1.00 1.00 H new ATOM 0 HD2 ARG A 39 12.852 10.010 6.669 1.00 1.00 H new ATOM 0 HD3 ARG A 39 13.543 11.213 7.739 1.00 1.00 H new ATOM 0 HE ARG A 39 13.315 12.673 5.496 1.00 1.00 H new ATOM 0 HH11 ARG A 39 10.749 10.600 6.804 1.00 1.00 H new ATOM 0 HH12 ARG A 39 9.524 11.677 6.125 1.00 1.00 H new ATOM 0 HH21 ARG A 39 11.679 13.858 4.727 1.00 1.00 H new ATOM 0 HH22 ARG A 39 10.009 13.374 5.041 1.00 1.00 H new ATOM 635 N ALA A 40 18.484 8.991 4.276 1.00 1.00 N ATOM 636 CA ALA A 40 19.901 9.221 4.661 1.00 1.00 C ATOM 637 C ALA A 40 20.964 8.997 3.543 1.00 1.00 C ATOM 638 O ALA A 40 21.952 9.734 3.485 1.00 1.00 O ATOM 639 CB ALA A 40 20.194 8.526 5.995 1.00 1.00 C ATOM 0 H ALA A 40 18.345 8.148 3.719 1.00 1.00 H new ATOM 0 HA ALA A 40 20.016 10.294 4.812 1.00 1.00 H new ATOM 0 HB1 ALA A 40 21.234 8.697 6.274 1.00 1.00 H new ATOM 0 HB2 ALA A 40 19.540 8.931 6.767 1.00 1.00 H new ATOM 0 HB3 ALA A 40 20.017 7.455 5.894 1.00 1.00 H new ATOM 645 N GLU A 41 20.760 8.066 2.601 1.00 1.00 N ATOM 646 CA GLU A 41 21.578 7.855 1.372 1.00 1.00 C ATOM 647 C GLU A 41 21.316 8.948 0.293 1.00 1.00 C ATOM 648 O GLU A 41 22.144 9.164 -0.591 1.00 1.00 O ATOM 649 CB GLU A 41 21.333 6.436 0.793 1.00 1.00 C ATOM 650 CG GLU A 41 22.474 5.896 -0.089 1.00 1.00 C ATOM 651 CD GLU A 41 22.155 4.509 -0.677 1.00 1.00 C ATOM 652 OE1 GLU A 41 22.224 3.485 0.044 1.00 1.00 O ATOM 653 OE2 GLU A 41 21.873 4.414 -1.894 1.00 1.00 O ATOM 0 H GLU A 41 19.988 7.403 2.667 1.00 1.00 H new ATOM 0 HA GLU A 41 22.625 7.940 1.661 1.00 1.00 H new ATOM 0 HB2 GLU A 41 21.172 5.744 1.619 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.414 6.451 0.206 1.00 1.00 H new ATOM 0 HG2 GLU A 41 22.664 6.597 -0.902 1.00 1.00 H new ATOM 0 HG3 GLU A 41 23.388 5.836 0.501 1.00 1.00 H new ATOM 660 N GLY A 42 20.191 9.681 0.391 1.00 1.00 N ATOM 661 CA GLY A 42 19.809 10.857 -0.414 1.00 1.00 C ATOM 662 C GLY A 42 18.875 10.559 -1.592 1.00 1.00 C ATOM 663 O GLY A 42 19.178 10.894 -2.738 1.00 1.00 O ATOM 0 H GLY A 42 19.476 9.452 1.082 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.326 11.584 0.239 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.715 11.326 -0.798 1.00 1.00 H new ATOM 667 N ILE A 43 17.736 9.915 -1.317 1.00 1.00 N ATOM 668 CA ILE A 43 16.753 9.371 -2.282 1.00 1.00 C ATOM 669 C ILE A 43 15.307 9.846 -1.959 1.00 1.00 C ATOM 670 O ILE A 43 14.995 10.388 -0.892 1.00 1.00 O ATOM 671 CB ILE A 43 16.912 7.816 -2.349 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.347 7.315 -2.686 1.00 1.00 C ATOM 673 CG2 ILE A 43 15.913 7.162 -3.332 1.00 1.00 C ATOM 674 CD1 ILE A 43 18.618 5.890 -2.173 1.00 1.00 C ATOM 0 H ILE A 43 17.450 9.744 -0.353 1.00 1.00 H new ATOM 0 HA ILE A 43 16.953 9.763 -3.279 1.00 1.00 H new ATOM 0 HB ILE A 43 16.692 7.502 -1.329 1.00 1.00 H new ATOM 0 HG12 ILE A 43 18.491 7.341 -3.766 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.077 7.998 -2.251 1.00 1.00 H new ATOM 0 HG21 ILE A 43 16.065 6.083 -3.341 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.894 7.382 -3.015 1.00 1.00 H new ATOM 0 HG23 ILE A 43 16.075 7.560 -4.334 1.00 1.00 H new ATOM 0 HD11 ILE A 43 19.634 5.595 -2.437 1.00 1.00 H new ATOM 0 HD12 ILE A 43 18.504 5.866 -1.089 1.00 1.00 H new ATOM 0 HD13 ILE A 43 17.909 5.198 -2.628 1.00 1.00 H new ATOM 686 N THR A 44 14.412 9.686 -2.936 1.00 1.00 N ATOM 687 CA THR A 44 13.015 10.172 -2.986 1.00 1.00 C ATOM 688 C THR A 44 12.086 9.249 -3.802 1.00 1.00 C ATOM 689 O THR A 44 12.544 8.470 -4.642 1.00 1.00 O ATOM 690 CB THR A 44 12.993 11.609 -3.581 1.00 1.00 C ATOM 691 OG1 THR A 44 11.662 12.011 -3.811 1.00 1.00 O ATOM 692 CG2 THR A 44 13.761 11.769 -4.898 1.00 1.00 C ATOM 0 H THR A 44 14.656 9.174 -3.784 1.00 1.00 H new ATOM 0 HA THR A 44 12.634 10.175 -1.965 1.00 1.00 H new ATOM 0 HB THR A 44 13.492 12.230 -2.837 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.656 12.884 -4.256 1.00 1.00 H new ATOM 0 HG21 THR A 44 13.690 12.803 -5.237 1.00 1.00 H new ATOM 0 HG22 THR A 44 14.808 11.509 -4.743 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.331 11.110 -5.652 1.00 1.00 H new ATOM 700 N LYS A 45 10.759 9.368 -3.605 1.00 1.00 N ATOM 701 CA LYS A 45 9.704 8.707 -4.416 1.00 1.00 C ATOM 702 C LYS A 45 9.831 8.974 -5.933 1.00 1.00 C ATOM 703 O LYS A 45 9.440 8.125 -6.726 1.00 1.00 O ATOM 704 CB LYS A 45 8.289 9.027 -3.866 1.00 1.00 C ATOM 705 CG LYS A 45 7.893 10.510 -3.666 1.00 1.00 C ATOM 706 CD LYS A 45 7.696 11.387 -4.916 1.00 1.00 C ATOM 707 CE LYS A 45 6.635 10.907 -5.914 1.00 1.00 C ATOM 708 NZ LYS A 45 6.470 11.859 -7.046 1.00 1.00 N ATOM 0 H LYS A 45 10.374 9.943 -2.856 1.00 1.00 H new ATOM 0 HA LYS A 45 9.860 7.633 -4.310 1.00 1.00 H new ATOM 0 HB2 LYS A 45 7.561 8.578 -4.542 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.185 8.523 -2.905 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.965 10.532 -3.094 1.00 1.00 H new ATOM 0 HG3 LYS A 45 8.659 10.979 -3.048 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.432 12.393 -4.591 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.650 11.461 -5.438 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.917 9.928 -6.301 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.682 10.785 -5.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.501 11.793 -7.417 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 6.648 12.828 -6.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.146 11.622 -7.800 1.00 1.00 H new ATOM 722 N GLU A 46 10.437 10.106 -6.323 1.00 1.00 N ATOM 723 CA GLU A 46 10.768 10.519 -7.706 1.00 1.00 C ATOM 724 C GLU A 46 11.864 9.627 -8.353 1.00 1.00 C ATOM 725 O GLU A 46 11.829 9.393 -9.558 1.00 1.00 O ATOM 726 CB GLU A 46 11.220 12.000 -7.708 1.00 1.00 C ATOM 727 CG GLU A 46 10.077 13.026 -7.486 1.00 1.00 C ATOM 728 CD GLU A 46 10.069 13.729 -6.112 1.00 1.00 C ATOM 729 OE1 GLU A 46 11.137 13.911 -5.481 1.00 1.00 O ATOM 730 OE2 GLU A 46 8.978 14.115 -5.640 1.00 1.00 O ATOM 0 H GLU A 46 10.730 10.806 -5.641 1.00 1.00 H new ATOM 0 HA GLU A 46 9.867 10.398 -8.307 1.00 1.00 H new ATOM 0 HB2 GLU A 46 11.970 12.138 -6.929 1.00 1.00 H new ATOM 0 HB3 GLU A 46 11.705 12.217 -8.660 1.00 1.00 H new ATOM 0 HG2 GLU A 46 10.141 13.788 -8.263 1.00 1.00 H new ATOM 0 HG3 GLU A 46 9.123 12.515 -7.618 1.00 1.00 H new ATOM 737 N ASP A 47 12.807 9.101 -7.557 1.00 1.00 N ATOM 738 CA ASP A 47 13.832 8.103 -7.919 1.00 1.00 C ATOM 739 C ASP A 47 13.217 6.681 -7.958 1.00 1.00 C ATOM 740 O ASP A 47 13.261 5.981 -8.971 1.00 1.00 O ATOM 741 CB ASP A 47 14.978 8.161 -6.872 1.00 1.00 C ATOM 742 CG ASP A 47 16.277 7.456 -7.290 1.00 1.00 C ATOM 743 OD1 ASP A 47 16.476 7.132 -8.482 1.00 1.00 O ATOM 744 OD2 ASP A 47 17.137 7.224 -6.418 1.00 1.00 O ATOM 0 H ASP A 47 12.881 9.378 -6.578 1.00 1.00 H new ATOM 0 HA ASP A 47 14.224 8.329 -8.911 1.00 1.00 H new ATOM 0 HB2 ASP A 47 15.202 9.206 -6.659 1.00 1.00 H new ATOM 0 HB3 ASP A 47 14.623 7.715 -5.943 1.00 1.00 H new ATOM 749 N LEU A 48 12.605 6.275 -6.832 1.00 1.00 N ATOM 750 CA LEU A 48 12.001 4.961 -6.571 1.00 1.00 C ATOM 751 C LEU A 48 10.954 4.560 -7.637 1.00 1.00 C ATOM 752 O LEU A 48 11.070 3.467 -8.186 1.00 1.00 O ATOM 753 CB LEU A 48 11.463 4.930 -5.117 1.00 1.00 C ATOM 754 CG LEU A 48 12.571 5.020 -4.026 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.021 5.501 -2.675 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.280 3.672 -3.827 1.00 1.00 C ATOM 0 H LEU A 48 12.514 6.898 -6.029 1.00 1.00 H new ATOM 0 HA LEU A 48 12.768 4.191 -6.660 1.00 1.00 H new ATOM 0 HB2 LEU A 48 10.767 5.757 -4.981 1.00 1.00 H new ATOM 0 HB3 LEU A 48 10.897 4.010 -4.970 1.00 1.00 H new ATOM 0 HG LEU A 48 13.289 5.755 -4.391 1.00 1.00 H new ATOM 0 HD11 LEU A 48 12.832 5.547 -1.948 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.582 6.492 -2.793 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.258 4.806 -2.324 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.046 3.774 -3.058 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.553 2.921 -3.518 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.744 3.363 -4.764 1.00 1.00 H new ATOM 768 N GLN A 49 9.998 5.437 -7.999 1.00 1.00 N ATOM 769 CA GLN A 49 9.023 5.232 -9.102 1.00 1.00 C ATOM 770 C GLN A 49 9.674 4.905 -10.475 1.00 1.00 C ATOM 771 O GLN A 49 9.176 4.045 -11.210 1.00 1.00 O ATOM 772 CB GLN A 49 8.076 6.457 -9.213 1.00 1.00 C ATOM 773 CG GLN A 49 8.696 7.734 -9.811 1.00 1.00 C ATOM 774 CD GLN A 49 7.848 9.003 -9.697 1.00 1.00 C ATOM 775 OE1 GLN A 49 8.144 10.002 -10.322 1.00 1.00 O ATOM 776 NE2 GLN A 49 6.796 9.092 -8.924 1.00 1.00 N ATOM 0 H GLN A 49 9.874 6.331 -7.525 1.00 1.00 H new ATOM 0 HA GLN A 49 8.448 4.345 -8.839 1.00 1.00 H new ATOM 0 HB2 GLN A 49 7.217 6.174 -9.821 1.00 1.00 H new ATOM 0 HB3 GLN A 49 7.698 6.691 -8.218 1.00 1.00 H new ATOM 0 HG2 GLN A 49 9.653 7.914 -9.321 1.00 1.00 H new ATOM 0 HG3 GLN A 49 8.906 7.554 -10.865 1.00 1.00 H new ATOM 0 HE21 GLN A 49 6.498 8.286 -8.374 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.274 9.967 -8.871 1.00 1.00 H new ATOM 785 N GLN A 50 10.790 5.582 -10.806 1.00 1.00 N ATOM 786 CA GLN A 50 11.588 5.410 -12.032 1.00 1.00 C ATOM 787 C GLN A 50 12.380 4.090 -12.021 1.00 1.00 C ATOM 788 O GLN A 50 12.132 3.239 -12.883 1.00 1.00 O ATOM 789 CB GLN A 50 12.497 6.629 -12.293 1.00 1.00 C ATOM 790 CG GLN A 50 11.722 7.909 -12.663 1.00 1.00 C ATOM 791 CD GLN A 50 12.670 9.059 -13.001 1.00 1.00 C ATOM 792 OE1 GLN A 50 13.182 9.180 -14.109 1.00 1.00 O ATOM 793 NE2 GLN A 50 12.987 9.928 -12.078 1.00 1.00 N ATOM 0 H GLN A 50 11.178 6.300 -10.194 1.00 1.00 H new ATOM 0 HA GLN A 50 10.889 5.349 -12.866 1.00 1.00 H new ATOM 0 HB2 GLN A 50 13.096 6.822 -11.403 1.00 1.00 H new ATOM 0 HB3 GLN A 50 13.191 6.389 -13.099 1.00 1.00 H new ATOM 0 HG2 GLN A 50 11.072 7.709 -13.515 1.00 1.00 H new ATOM 0 HG3 GLN A 50 11.078 8.199 -11.833 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.578 9.855 -11.146 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.643 10.680 -12.289 1.00 1.00 H new ATOM 802 N LYS A 51 13.258 3.856 -11.026 1.00 1.00 N ATOM 803 CA LYS A 51 13.964 2.564 -10.815 1.00 1.00 C ATOM 804 C LYS A 51 13.029 1.342 -10.792 1.00 1.00 C ATOM 805 O LYS A 51 13.345 0.326 -11.402 1.00 1.00 O ATOM 806 CB LYS A 51 14.865 2.609 -9.559 1.00 1.00 C ATOM 807 CG LYS A 51 16.210 3.319 -9.829 1.00 1.00 C ATOM 808 CD LYS A 51 17.339 2.858 -8.889 1.00 1.00 C ATOM 809 CE LYS A 51 17.330 3.528 -7.509 1.00 1.00 C ATOM 810 NZ LYS A 51 18.018 4.841 -7.526 1.00 1.00 N ATOM 0 H LYS A 51 13.504 4.564 -10.334 1.00 1.00 H new ATOM 0 HA LYS A 51 14.601 2.432 -11.689 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.339 3.125 -8.755 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.056 1.593 -9.214 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.509 3.137 -10.861 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.073 4.395 -9.722 1.00 1.00 H new ATOM 0 HD2 LYS A 51 17.266 1.779 -8.756 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.298 3.055 -9.369 1.00 1.00 H new ATOM 0 HE2 LYS A 51 16.300 3.662 -7.178 1.00 1.00 H new ATOM 0 HE3 LYS A 51 17.815 2.874 -6.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 17.711 5.404 -6.707 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 19.047 4.695 -7.480 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 17.780 5.347 -8.403 1.00 1.00 H new ATOM 824 N ALA A 52 11.855 1.455 -10.170 1.00 1.00 N ATOM 825 CA ALA A 52 10.781 0.453 -10.115 1.00 1.00 C ATOM 826 C ALA A 52 9.923 0.233 -11.387 1.00 1.00 C ATOM 827 O ALA A 52 9.126 -0.712 -11.398 1.00 1.00 O ATOM 828 CB ALA A 52 9.828 0.918 -9.008 1.00 1.00 C ATOM 0 H ALA A 52 11.610 2.302 -9.657 1.00 1.00 H new ATOM 0 HA ALA A 52 11.284 -0.502 -9.961 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.003 0.211 -8.917 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.367 0.970 -8.062 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.435 1.904 -9.257 1.00 1.00 H new ATOM 834 N GLY A 53 9.988 1.103 -12.411 1.00 1.00 N ATOM 835 CA GLY A 53 9.066 1.061 -13.571 1.00 1.00 C ATOM 836 C GLY A 53 7.585 0.962 -13.145 1.00 1.00 C ATOM 837 O GLY A 53 6.814 0.193 -13.730 1.00 1.00 O ATOM 0 H GLY A 53 10.677 1.854 -12.462 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.208 1.956 -14.176 1.00 1.00 H new ATOM 0 HA3 GLY A 53 9.318 0.207 -14.200 1.00 1.00 H new ATOM 841 N LYS A 54 7.218 1.677 -12.066 1.00 1.00 N ATOM 842 CA LYS A 54 5.934 1.656 -11.328 1.00 1.00 C ATOM 843 C LYS A 54 5.524 3.087 -10.892 1.00 1.00 C ATOM 844 O LYS A 54 6.362 3.760 -10.284 1.00 1.00 O ATOM 845 CB LYS A 54 6.086 0.710 -10.102 1.00 1.00 C ATOM 846 CG LYS A 54 4.852 -0.169 -9.847 1.00 1.00 C ATOM 847 CD LYS A 54 4.703 -1.362 -10.818 1.00 1.00 C ATOM 848 CE LYS A 54 5.746 -2.480 -10.628 1.00 1.00 C ATOM 849 NZ LYS A 54 6.861 -2.447 -11.613 1.00 1.00 N ATOM 0 H LYS A 54 7.867 2.344 -11.649 1.00 1.00 H new ATOM 0 HA LYS A 54 5.140 1.283 -11.975 1.00 1.00 H new ATOM 0 HB2 LYS A 54 6.954 0.068 -10.254 1.00 1.00 H new ATOM 0 HB3 LYS A 54 6.285 1.309 -9.214 1.00 1.00 H new ATOM 0 HG2 LYS A 54 4.898 -0.551 -8.827 1.00 1.00 H new ATOM 0 HG3 LYS A 54 3.959 0.452 -9.915 1.00 1.00 H new ATOM 0 HD2 LYS A 54 3.707 -1.789 -10.698 1.00 1.00 H new ATOM 0 HD3 LYS A 54 4.770 -0.991 -11.841 1.00 1.00 H new ATOM 0 HE2 LYS A 54 6.162 -2.407 -9.623 1.00 1.00 H new ATOM 0 HE3 LYS A 54 5.244 -3.445 -10.696 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 7.308 -3.385 -11.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.489 -2.191 -12.550 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.566 -1.742 -11.316 1.00 1.00 H new ATOM 863 N PRO A 55 4.308 3.594 -11.198 1.00 1.00 N ATOM 864 CA PRO A 55 3.903 4.998 -10.965 1.00 1.00 C ATOM 865 C PRO A 55 3.561 5.340 -9.497 1.00 1.00 C ATOM 866 O PRO A 55 2.473 5.839 -9.183 1.00 1.00 O ATOM 867 CB PRO A 55 2.733 5.207 -11.935 1.00 1.00 C ATOM 868 CG PRO A 55 2.048 3.837 -11.943 1.00 1.00 C ATOM 869 CD PRO A 55 3.226 2.872 -11.862 1.00 1.00 C ATOM 0 HA PRO A 55 4.728 5.685 -11.151 1.00 1.00 H new ATOM 0 HB2 PRO A 55 2.060 5.993 -11.593 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.078 5.492 -12.929 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.369 3.719 -11.098 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.460 3.683 -12.848 1.00 1.00 H new ATOM 0 HD2 PRO A 55 2.956 1.977 -11.302 1.00 1.00 H new ATOM 0 HD3 PRO A 55 3.530 2.546 -12.857 1.00 1.00 H new ATOM 877 N VAL A 56 4.503 5.089 -8.582 1.00 1.00 N ATOM 878 CA VAL A 56 4.344 5.344 -7.134 1.00 1.00 C ATOM 879 C VAL A 56 4.300 6.837 -6.803 1.00 1.00 C ATOM 880 O VAL A 56 4.980 7.650 -7.428 1.00 1.00 O ATOM 881 CB VAL A 56 5.411 4.662 -6.240 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.690 3.202 -6.646 1.00 1.00 C ATOM 883 CG2 VAL A 56 6.783 5.354 -6.135 1.00 1.00 C ATOM 0 H VAL A 56 5.413 4.697 -8.823 1.00 1.00 H new ATOM 0 HA VAL A 56 3.382 4.888 -6.901 1.00 1.00 H new ATOM 0 HB VAL A 56 4.927 4.736 -5.266 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.445 2.778 -5.984 1.00 1.00 H new ATOM 0 HG12 VAL A 56 4.771 2.621 -6.568 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.051 3.173 -7.674 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.434 4.774 -5.481 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.233 5.423 -7.126 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.655 6.356 -5.724 1.00 1.00 H new ATOM 893 N GLU A 57 3.586 7.183 -5.738 1.00 1.00 N ATOM 894 CA GLU A 57 3.561 8.540 -5.152 1.00 1.00 C ATOM 895 C GLU A 57 3.976 8.543 -3.674 1.00 1.00 C ATOM 896 O GLU A 57 4.615 9.494 -3.226 1.00 1.00 O ATOM 897 CB GLU A 57 2.188 9.228 -5.350 1.00 1.00 C ATOM 898 CG GLU A 57 2.121 10.107 -6.612 1.00 1.00 C ATOM 899 CD GLU A 57 3.162 11.242 -6.613 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.296 11.980 -5.603 1.00 1.00 O ATOM 901 OE2 GLU A 57 3.867 11.428 -7.629 1.00 1.00 O ATOM 0 H GLU A 57 2.992 6.521 -5.239 1.00 1.00 H new ATOM 0 HA GLU A 57 4.304 9.124 -5.695 1.00 1.00 H new ATOM 0 HB2 GLU A 57 1.412 8.464 -5.406 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.968 9.842 -4.477 1.00 1.00 H new ATOM 0 HG2 GLU A 57 2.273 9.482 -7.492 1.00 1.00 H new ATOM 0 HG3 GLU A 57 1.123 10.537 -6.695 1.00 1.00 H new ATOM 908 N THR A 58 3.672 7.477 -2.927 1.00 1.00 N ATOM 909 CA THR A 58 3.885 7.338 -1.475 1.00 1.00 C ATOM 910 C THR A 58 4.533 6.003 -1.069 1.00 1.00 C ATOM 911 O THR A 58 4.958 5.191 -1.895 1.00 1.00 O ATOM 912 CB THR A 58 2.583 7.622 -0.689 1.00 1.00 C ATOM 913 OG1 THR A 58 1.513 6.800 -1.083 1.00 1.00 O ATOM 914 CG2 THR A 58 2.130 9.080 -0.786 1.00 1.00 C ATOM 0 H THR A 58 3.249 6.643 -3.335 1.00 1.00 H new ATOM 0 HA THR A 58 4.614 8.100 -1.200 1.00 1.00 H new ATOM 0 HB THR A 58 2.845 7.398 0.345 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.822 6.164 -1.761 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.212 9.215 -0.214 1.00 1.00 H new ATOM 0 HG22 THR A 58 2.907 9.730 -0.384 1.00 1.00 H new ATOM 0 HG23 THR A 58 1.948 9.336 -1.830 1.00 1.00 H new ATOM 922 N VAL A 59 4.721 5.840 0.242 1.00 1.00 N ATOM 923 CA VAL A 59 5.288 4.645 0.928 1.00 1.00 C ATOM 924 C VAL A 59 4.211 3.620 1.314 1.00 1.00 C ATOM 925 O VAL A 59 3.058 4.003 1.499 1.00 1.00 O ATOM 926 CB VAL A 59 6.082 5.000 2.214 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.593 4.941 1.944 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.609 6.329 2.819 1.00 1.00 C ATOM 0 H VAL A 59 4.471 6.574 0.905 1.00 1.00 H new ATOM 0 HA VAL A 59 5.966 4.213 0.192 1.00 1.00 H new ATOM 0 HB VAL A 59 5.876 4.250 2.978 1.00 1.00 H new ATOM 0 HG11 VAL A 59 8.136 5.192 2.855 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.867 3.935 1.625 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.851 5.653 1.160 1.00 1.00 H new ATOM 0 HG21 VAL A 59 6.187 6.546 3.718 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.752 7.130 2.094 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.552 6.256 3.076 1.00 1.00 H new ATOM 938 N PRO A 60 4.565 2.336 1.531 1.00 1.00 N ATOM 939 CA PRO A 60 5.920 1.752 1.528 1.00 1.00 C ATOM 940 C PRO A 60 6.568 1.661 0.132 1.00 1.00 C ATOM 941 O PRO A 60 5.914 1.880 -0.883 1.00 1.00 O ATOM 942 CB PRO A 60 5.752 0.375 2.164 1.00 1.00 C ATOM 943 CG PRO A 60 4.314 -0.007 1.795 1.00 1.00 C ATOM 944 CD PRO A 60 3.567 1.288 1.556 1.00 1.00 C ATOM 0 HA PRO A 60 6.609 2.392 2.079 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.473 -0.341 1.770 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.895 0.410 3.244 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.297 -0.634 0.903 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.848 -0.580 2.597 1.00 1.00 H new ATOM 0 HD2 PRO A 60 3.018 1.252 0.615 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.836 1.466 2.345 1.00 1.00 H new ATOM 952 N GLN A 61 7.869 1.355 0.107 1.00 1.00 N ATOM 953 CA GLN A 61 8.694 1.131 -1.083 1.00 1.00 C ATOM 954 C GLN A 61 9.665 -0.059 -0.875 1.00 1.00 C ATOM 955 O GLN A 61 10.863 0.093 -0.658 1.00 1.00 O ATOM 956 CB GLN A 61 9.370 2.458 -1.519 1.00 1.00 C ATOM 957 CG GLN A 61 8.399 3.473 -2.177 1.00 1.00 C ATOM 958 CD GLN A 61 7.631 2.898 -3.374 1.00 1.00 C ATOM 959 OE1 GLN A 61 6.356 3.154 -3.533 1.00 1.00 O flip ATOM 960 NE2 GLN A 61 8.172 2.199 -4.219 1.00 1.00 N flip ATOM 0 H GLN A 61 8.406 1.251 0.968 1.00 1.00 H new ATOM 0 HA GLN A 61 8.066 0.829 -1.921 1.00 1.00 H new ATOM 0 HB2 GLN A 61 9.830 2.923 -0.647 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.173 2.232 -2.220 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.685 3.818 -1.429 1.00 1.00 H new ATOM 0 HG3 GLN A 61 8.965 4.346 -2.504 1.00 1.00 H new ATOM 0 HE21 GLN A 61 9.163 1.974 -4.136 1.00 1.00 H new ATOM 0 HE22 GLN A 61 7.632 1.841 -5.007 1.00 1.00 H new ATOM 969 N ILE A 62 9.121 -1.277 -0.927 1.00 1.00 N ATOM 970 CA ILE A 62 9.815 -2.593 -0.857 1.00 1.00 C ATOM 971 C ILE A 62 10.056 -3.280 -2.227 1.00 1.00 C ATOM 972 O ILE A 62 9.306 -3.111 -3.193 1.00 1.00 O ATOM 973 CB ILE A 62 9.078 -3.507 0.166 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.328 -2.906 1.571 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.486 -5.000 0.104 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.567 -3.547 2.722 1.00 1.00 C ATOM 0 H ILE A 62 8.112 -1.393 -1.026 1.00 1.00 H new ATOM 0 HA ILE A 62 10.829 -2.404 -0.504 1.00 1.00 H new ATOM 0 HB ILE A 62 8.017 -3.520 -0.083 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.394 -2.972 1.787 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.074 -1.846 1.540 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.924 -5.562 0.850 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.269 -5.396 -0.888 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.553 -5.094 0.306 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.823 -3.042 3.653 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.495 -3.458 2.544 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.836 -4.601 2.794 1.00 1.00 H new ATOM 988 N PHE A 63 11.125 -4.078 -2.318 1.00 1.00 N ATOM 989 CA PHE A 63 11.541 -4.845 -3.499 1.00 1.00 C ATOM 990 C PHE A 63 11.882 -6.292 -3.089 1.00 1.00 C ATOM 991 O PHE A 63 12.889 -6.531 -2.420 1.00 1.00 O ATOM 992 CB PHE A 63 12.755 -4.171 -4.176 1.00 1.00 C ATOM 993 CG PHE A 63 12.484 -2.869 -4.930 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.231 -1.679 -4.203 1.00 1.00 C ATOM 995 CD2 PHE A 63 12.604 -2.793 -6.337 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.120 -0.435 -4.860 1.00 1.00 C ATOM 997 CE2 PHE A 63 12.496 -1.547 -7.000 1.00 1.00 C ATOM 998 CZ PHE A 63 12.269 -0.366 -6.260 1.00 1.00 C ATOM 0 H PHE A 63 11.757 -4.214 -1.529 1.00 1.00 H new ATOM 0 HA PHE A 63 10.720 -4.868 -4.216 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.504 -3.971 -3.410 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.195 -4.884 -4.874 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.121 -1.725 -3.130 1.00 1.00 H new ATOM 0 HD2 PHE A 63 12.779 -3.692 -6.910 1.00 1.00 H new ATOM 0 HE1 PHE A 63 11.921 0.462 -4.292 1.00 1.00 H new ATOM 0 HE2 PHE A 63 12.587 -1.499 -8.075 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.210 0.587 -6.765 1.00 1.00 H new ATOM 1008 N VAL A 64 11.044 -7.263 -3.469 1.00 1.00 N ATOM 1009 CA VAL A 64 11.247 -8.714 -3.218 1.00 1.00 C ATOM 1010 C VAL A 64 12.023 -9.325 -4.398 1.00 1.00 C ATOM 1011 O VAL A 64 11.634 -9.190 -5.558 1.00 1.00 O ATOM 1012 CB VAL A 64 9.931 -9.459 -2.931 1.00 1.00 C ATOM 1013 CG1 VAL A 64 10.222 -10.912 -2.538 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.144 -8.814 -1.777 1.00 1.00 C ATOM 0 H VAL A 64 10.180 -7.067 -3.974 1.00 1.00 H new ATOM 0 HA VAL A 64 11.838 -8.829 -2.309 1.00 1.00 H new ATOM 0 HB VAL A 64 9.337 -9.409 -3.844 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.284 -11.429 -2.337 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.745 -11.412 -3.353 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.845 -10.929 -1.643 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.223 -9.372 -1.609 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.749 -8.830 -0.870 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.902 -7.783 -2.033 1.00 1.00 H new ATOM 1024 N ASP A 65 13.168 -9.925 -4.095 1.00 1.00 N ATOM 1025 CA ASP A 65 14.230 -10.448 -4.972 1.00 1.00 C ATOM 1026 C ASP A 65 14.809 -9.476 -6.035 1.00 1.00 C ATOM 1027 O ASP A 65 15.520 -9.906 -6.942 1.00 1.00 O ATOM 1028 CB ASP A 65 14.170 -11.952 -5.327 1.00 1.00 C ATOM 1029 CG ASP A 65 13.123 -12.778 -4.577 1.00 1.00 C ATOM 1030 OD1 ASP A 65 13.474 -13.245 -3.468 1.00 1.00 O ATOM 1031 OD2 ASP A 65 12.049 -13.097 -5.133 1.00 1.00 O ATOM 0 H ASP A 65 13.410 -10.078 -3.116 1.00 1.00 H new ATOM 0 HA ASP A 65 15.071 -10.467 -4.278 1.00 1.00 H new ATOM 0 HB2 ASP A 65 13.979 -12.045 -6.396 1.00 1.00 H new ATOM 0 HB3 ASP A 65 15.151 -12.389 -5.139 1.00 1.00 H new ATOM 1036 N GLN A 66 14.582 -8.161 -5.851 1.00 1.00 N ATOM 1037 CA GLN A 66 14.873 -6.966 -6.694 1.00 1.00 C ATOM 1038 C GLN A 66 13.693 -6.503 -7.609 1.00 1.00 C ATOM 1039 O GLN A 66 13.840 -5.541 -8.366 1.00 1.00 O ATOM 1040 CB GLN A 66 16.198 -7.131 -7.483 1.00 1.00 C ATOM 1041 CG GLN A 66 16.908 -5.826 -7.896 1.00 1.00 C ATOM 1042 CD GLN A 66 18.299 -6.118 -8.456 1.00 1.00 C ATOM 1043 OE1 GLN A 66 18.502 -6.350 -9.638 1.00 1.00 O ATOM 1044 NE2 GLN A 66 19.326 -6.174 -7.645 1.00 1.00 N ATOM 0 H GLN A 66 14.126 -7.863 -4.988 1.00 1.00 H new ATOM 0 HA GLN A 66 15.001 -6.147 -5.986 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.887 -7.720 -6.877 1.00 1.00 H new ATOM 0 HB3 GLN A 66 15.991 -7.709 -8.384 1.00 1.00 H new ATOM 0 HG2 GLN A 66 16.312 -5.304 -8.645 1.00 1.00 H new ATOM 0 HG3 GLN A 66 16.990 -5.163 -7.035 1.00 1.00 H new ATOM 0 HE21 GLN A 66 19.201 -5.987 -6.650 1.00 1.00 H new ATOM 0 HE22 GLN A 66 20.251 -6.404 -8.008 1.00 1.00 H new ATOM 1053 N GLN A 67 12.498 -7.103 -7.498 1.00 1.00 N ATOM 1054 CA GLN A 67 11.236 -6.696 -8.160 1.00 1.00 C ATOM 1055 C GLN A 67 10.418 -5.786 -7.221 1.00 1.00 C ATOM 1056 O GLN A 67 10.213 -6.129 -6.053 1.00 1.00 O ATOM 1057 CB GLN A 67 10.391 -7.932 -8.557 1.00 1.00 C ATOM 1058 CG GLN A 67 8.990 -7.559 -9.112 1.00 1.00 C ATOM 1059 CD GLN A 67 8.134 -8.734 -9.580 1.00 1.00 C ATOM 1060 OE1 GLN A 67 7.645 -8.774 -10.701 1.00 1.00 O ATOM 1061 NE2 GLN A 67 7.870 -9.700 -8.737 1.00 1.00 N ATOM 0 H GLN A 67 12.373 -7.930 -6.914 1.00 1.00 H new ATOM 0 HA GLN A 67 11.491 -6.148 -9.067 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.931 -8.508 -9.308 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.271 -8.577 -7.687 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.444 -7.020 -8.338 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.121 -6.872 -9.948 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.270 -9.682 -7.799 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.265 -10.471 -9.018 1.00 1.00 H new ATOM 1070 N HIS A 68 9.883 -4.662 -7.727 1.00 1.00 N ATOM 1071 CA HIS A 68 9.016 -3.743 -6.957 1.00 1.00 C ATOM 1072 C HIS A 68 7.730 -4.450 -6.462 1.00 1.00 C ATOM 1073 O HIS A 68 6.766 -4.634 -7.210 1.00 1.00 O ATOM 1074 CB HIS A 68 8.696 -2.513 -7.828 1.00 1.00 C ATOM 1075 CG HIS A 68 7.848 -1.469 -7.129 1.00 1.00 C ATOM 1076 ND1 HIS A 68 6.479 -1.508 -6.918 1.00 1.00 N ATOM 1077 CD2 HIS A 68 8.314 -0.335 -6.530 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.119 -0.402 -6.235 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.225 0.329 -6.007 1.00 1.00 N ATOM 0 H HIS A 68 10.039 -4.360 -8.689 1.00 1.00 H new ATOM 0 HA HIS A 68 9.544 -3.416 -6.061 1.00 1.00 H new ATOM 0 HB2 HIS A 68 9.631 -2.053 -8.147 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.179 -2.843 -8.729 1.00 1.00 H new ATOM 0 HD1 HIS A 68 5.849 -2.249 -7.227 1.00 1.00 H new ATOM 0 HD2 HIS A 68 9.345 -0.017 -6.476 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.116 -0.147 -5.925 1.00 1.00 H new ATOM 1088 N ILE A 69 7.684 -4.699 -5.154 1.00 1.00 N ATOM 1089 CA ILE A 69 6.573 -5.245 -4.353 1.00 1.00 C ATOM 1090 C ILE A 69 6.333 -4.251 -3.207 1.00 1.00 C ATOM 1091 O ILE A 69 6.881 -4.411 -2.119 1.00 1.00 O ATOM 1092 CB ILE A 69 6.883 -6.684 -3.840 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.170 -7.740 -4.943 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.773 -7.219 -2.908 1.00 1.00 C ATOM 1095 CD1 ILE A 69 6.089 -7.938 -6.021 1.00 1.00 C ATOM 0 H ILE A 69 8.496 -4.508 -4.567 1.00 1.00 H new ATOM 0 HA ILE A 69 5.671 -5.352 -4.956 1.00 1.00 H new ATOM 0 HB ILE A 69 7.813 -6.553 -3.287 1.00 1.00 H new ATOM 0 HG12 ILE A 69 8.099 -7.464 -5.442 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.342 -8.700 -4.456 1.00 1.00 H new ATOM 0 HG21 ILE A 69 6.031 -8.224 -2.575 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.677 -6.563 -2.043 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.827 -7.248 -3.448 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.415 -8.701 -6.727 1.00 1.00 H new ATOM 0 HD12 ILE A 69 5.158 -8.254 -5.549 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.927 -6.999 -6.551 1.00 1.00 H new ATOM 1107 N GLY A 70 5.555 -3.197 -3.486 1.00 1.00 N ATOM 1108 CA GLY A 70 5.190 -2.044 -2.634 1.00 1.00 C ATOM 1109 C GLY A 70 5.589 -2.071 -1.145 1.00 1.00 C ATOM 1110 O GLY A 70 6.256 -1.173 -0.646 1.00 1.00 O ATOM 0 H GLY A 70 5.119 -3.117 -4.405 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.630 -1.151 -3.079 1.00 1.00 H new ATOM 0 HA3 GLY A 70 4.108 -1.925 -2.685 1.00 1.00 H new ATOM 1114 N GLY A 71 5.163 -3.105 -0.416 1.00 1.00 N ATOM 1115 CA GLY A 71 5.272 -3.284 1.042 1.00 1.00 C ATOM 1116 C GLY A 71 3.895 -3.499 1.677 1.00 1.00 C ATOM 1117 O GLY A 71 3.085 -4.178 1.068 1.00 1.00 O ATOM 0 H GLY A 71 4.699 -3.899 -0.857 1.00 1.00 H new ATOM 0 HA2 GLY A 71 5.913 -4.138 1.259 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.747 -2.408 1.484 1.00 1.00 H new ATOM 1121 N TYR A 72 3.568 -2.924 2.838 1.00 1.00 N ATOM 1122 CA TYR A 72 2.236 -3.001 3.504 1.00 1.00 C ATOM 1123 C TYR A 72 1.010 -3.060 2.534 1.00 1.00 C ATOM 1124 O TYR A 72 -0.007 -3.641 2.885 1.00 1.00 O ATOM 1125 CB TYR A 72 2.146 -1.865 4.545 1.00 1.00 C ATOM 1126 CG TYR A 72 0.901 -1.826 5.422 1.00 1.00 C ATOM 1127 CD1 TYR A 72 -0.294 -1.257 4.924 1.00 1.00 C ATOM 1128 CD2 TYR A 72 0.941 -2.299 6.755 1.00 1.00 C ATOM 1129 CE1 TYR A 72 -1.446 -1.176 5.736 1.00 1.00 C ATOM 1130 CE2 TYR A 72 -0.201 -2.184 7.583 1.00 1.00 C ATOM 1131 CZ TYR A 72 -1.396 -1.625 7.073 1.00 1.00 C ATOM 1132 OH TYR A 72 -2.514 -1.556 7.837 1.00 1.00 O ATOM 0 H TYR A 72 4.238 -2.369 3.370 1.00 1.00 H new ATOM 0 HA TYR A 72 2.170 -3.965 4.008 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.017 -1.933 5.197 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.217 -0.915 4.016 1.00 1.00 H new ATOM 0 HD1 TYR A 72 -0.326 -0.881 3.912 1.00 1.00 H new ATOM 0 HD2 TYR A 72 1.844 -2.748 7.141 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -2.363 -0.771 5.335 1.00 1.00 H new ATOM 0 HE2 TYR A 72 -0.160 -2.524 8.607 1.00 1.00 H new ATOM 0 HH TYR A 72 -2.329 -1.933 8.722 1.00 1.00 H new ATOM 1142 N THR A 73 1.025 -2.376 1.379 1.00 1.00 N ATOM 1143 CA THR A 73 0.027 -2.492 0.276 1.00 1.00 C ATOM 1144 C THR A 73 0.070 -3.863 -0.459 1.00 1.00 C ATOM 1145 O THR A 73 -0.885 -4.639 -0.407 1.00 1.00 O ATOM 1146 CB THR A 73 0.169 -1.305 -0.729 1.00 1.00 C ATOM 1147 OG1 THR A 73 -0.331 -1.616 -2.008 1.00 1.00 O ATOM 1148 CG2 THR A 73 1.595 -0.755 -0.891 1.00 1.00 C ATOM 0 H THR A 73 1.757 -1.697 1.169 1.00 1.00 H new ATOM 0 HA THR A 73 -0.955 -2.438 0.746 1.00 1.00 H new ATOM 0 HB THR A 73 -0.434 -0.525 -0.265 1.00 1.00 H new ATOM 0 HG1 THR A 73 -0.221 -0.842 -2.599 1.00 1.00 H new ATOM 0 HG21 THR A 73 1.589 0.065 -1.609 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.957 -0.393 0.071 1.00 1.00 H new ATOM 0 HG23 THR A 73 2.252 -1.547 -1.251 1.00 1.00 H new ATOM 1156 N ASP A 74 1.200 -4.176 -1.091 1.00 1.00 N ATOM 1157 CA ASP A 74 1.607 -5.384 -1.845 1.00 1.00 C ATOM 1158 C ASP A 74 1.852 -6.644 -0.974 1.00 1.00 C ATOM 1159 O ASP A 74 1.179 -7.660 -1.106 1.00 1.00 O ATOM 1160 CB ASP A 74 2.885 -5.002 -2.622 1.00 1.00 C ATOM 1161 CG ASP A 74 2.662 -4.524 -4.056 1.00 1.00 C ATOM 1162 OD1 ASP A 74 2.350 -3.332 -4.270 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.932 -5.300 -5.000 1.00 1.00 O ATOM 0 H ASP A 74 1.964 -3.500 -1.092 1.00 1.00 H new ATOM 0 HA ASP A 74 0.786 -5.674 -2.500 1.00 1.00 H new ATOM 0 HB2 ASP A 74 3.403 -4.217 -2.072 1.00 1.00 H new ATOM 0 HB3 ASP A 74 3.548 -5.867 -2.644 1.00 1.00 H new ATOM 1168 N PHE A 75 2.835 -6.574 -0.077 1.00 1.00 N ATOM 1169 CA PHE A 75 3.223 -7.520 0.986 1.00 1.00 C ATOM 1170 C PHE A 75 2.018 -8.075 1.763 1.00 1.00 C ATOM 1171 O PHE A 75 1.948 -9.270 2.022 1.00 1.00 O ATOM 1172 CB PHE A 75 4.202 -6.812 1.951 1.00 1.00 C ATOM 1173 CG PHE A 75 5.351 -7.643 2.454 1.00 1.00 C ATOM 1174 CD1 PHE A 75 6.441 -7.898 1.590 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.379 -8.097 3.789 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.562 -8.603 2.059 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.516 -8.777 4.267 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.604 -9.014 3.403 1.00 1.00 C ATOM 0 H PHE A 75 3.453 -5.763 -0.072 1.00 1.00 H new ATOM 0 HA PHE A 75 3.703 -8.376 0.512 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.608 -5.935 1.446 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.637 -6.452 2.811 1.00 1.00 H new ATOM 0 HD1 PHE A 75 6.412 -7.550 0.568 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.535 -7.924 4.440 1.00 1.00 H new ATOM 0 HE1 PHE A 75 8.383 -8.827 1.394 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.554 -9.116 5.292 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.482 -9.518 3.778 1.00 1.00 H new ATOM 1188 N ALA A 76 1.056 -7.210 2.117 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.229 -7.599 2.701 1.00 1.00 C ATOM 1190 C ALA A 76 -1.033 -8.530 1.772 1.00 1.00 C ATOM 1191 O ALA A 76 -1.441 -9.595 2.224 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.030 -6.346 3.049 1.00 1.00 C ATOM 0 H ALA A 76 1.155 -6.201 2.002 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.031 -8.166 3.611 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -1.987 -6.635 3.484 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.472 -5.745 3.767 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.204 -5.762 2.145 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.232 -8.167 0.495 1.00 1.00 N ATOM 1199 CA ALA A 77 -1.836 -9.031 -0.533 1.00 1.00 C ATOM 1200 C ALA A 77 -1.062 -10.361 -0.734 1.00 1.00 C ATOM 1201 O ALA A 77 -1.673 -11.424 -0.752 1.00 1.00 O ATOM 1202 CB ALA A 77 -1.950 -8.229 -1.840 1.00 1.00 C ATOM 0 H ALA A 77 -0.973 -7.246 0.141 1.00 1.00 H new ATOM 0 HA ALA A 77 -2.829 -9.330 -0.198 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.396 -8.855 -2.613 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -2.577 -7.353 -1.676 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -0.958 -7.910 -2.159 1.00 1.00 H new ATOM 1208 N TRP A 78 0.278 -10.335 -0.752 1.00 1.00 N ATOM 1209 CA TRP A 78 1.179 -11.503 -0.793 1.00 1.00 C ATOM 1210 C TRP A 78 0.996 -12.468 0.397 1.00 1.00 C ATOM 1211 O TRP A 78 0.754 -13.660 0.192 1.00 1.00 O ATOM 1212 CB TRP A 78 2.632 -11.005 -0.922 1.00 1.00 C ATOM 1213 CG TRP A 78 3.668 -12.057 -1.182 1.00 1.00 C ATOM 1214 CD1 TRP A 78 4.102 -12.413 -2.409 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.455 -12.848 -0.232 1.00 1.00 C ATOM 1216 NE1 TRP A 78 5.060 -13.396 -2.293 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.352 -13.675 -0.980 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.539 -12.932 1.182 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.290 -14.528 -0.367 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.476 -13.786 1.809 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.361 -14.572 1.041 1.00 1.00 C ATOM 0 H TRP A 78 0.793 -9.454 -0.738 1.00 1.00 H new ATOM 0 HA TRP A 78 0.918 -12.100 -1.667 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.674 -10.275 -1.730 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.898 -10.481 -0.004 1.00 1.00 H new ATOM 0 HD1 TRP A 78 3.752 -11.992 -3.340 1.00 1.00 H new ATOM 0 HE1 TRP A 78 5.500 -13.861 -3.087 1.00 1.00 H new ATOM 0 HE3 TRP A 78 3.876 -12.334 1.790 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.946 -15.141 -0.967 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 5.514 -13.837 2.887 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.089 -15.204 1.529 1.00 1.00 H new ATOM 1232 N VAL A 79 1.078 -11.954 1.636 1.00 1.00 N ATOM 1233 CA VAL A 79 0.776 -12.644 2.915 1.00 1.00 C ATOM 1234 C VAL A 79 -0.663 -13.189 2.921 1.00 1.00 C ATOM 1235 O VAL A 79 -0.859 -14.375 3.170 1.00 1.00 O ATOM 1236 CB VAL A 79 1.026 -11.720 4.142 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.481 -12.292 5.463 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.527 -11.453 4.361 1.00 1.00 C ATOM 0 H VAL A 79 1.374 -10.990 1.787 1.00 1.00 H new ATOM 0 HA VAL A 79 1.460 -13.488 2.998 1.00 1.00 H new ATOM 0 HB VAL A 79 0.493 -10.802 3.896 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.691 -11.596 6.275 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.596 -12.438 5.379 1.00 1.00 H new ATOM 0 HG13 VAL A 79 0.962 -13.248 5.672 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.659 -10.804 5.227 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.043 -12.397 4.534 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.943 -10.968 3.478 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.665 -12.351 2.616 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.108 -12.658 2.484 1.00 1.00 C ATOM 1250 C LYS A 80 -3.392 -13.824 1.523 1.00 1.00 C ATOM 1251 O LYS A 80 -3.988 -14.813 1.937 1.00 1.00 O ATOM 1252 CB LYS A 80 -3.854 -11.355 2.120 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.384 -11.460 1.995 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.114 -10.107 2.065 1.00 1.00 C ATOM 1255 CE LYS A 80 -5.886 -9.326 3.373 1.00 1.00 C ATOM 1256 NZ LYS A 80 -6.295 -10.080 4.587 1.00 1.00 N ATOM 0 H LYS A 80 -1.479 -11.363 2.441 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.488 -13.020 3.439 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.623 -10.605 2.877 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -3.458 -10.986 1.174 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -5.628 -11.944 1.049 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.759 -12.105 2.790 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -5.790 -9.490 1.227 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -7.183 -10.278 1.940 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -4.830 -9.066 3.454 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -6.442 -8.390 3.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -6.180 -9.476 5.426 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -7.291 -10.365 4.499 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -5.700 -10.927 4.686 1.00 1.00 H new ATOM 1270 N GLU A 81 -2.868 -13.776 0.296 1.00 1.00 N ATOM 1271 CA GLU A 81 -2.931 -14.861 -0.711 1.00 1.00 C ATOM 1272 C GLU A 81 -2.361 -16.230 -0.259 1.00 1.00 C ATOM 1273 O GLU A 81 -2.640 -17.237 -0.910 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.220 -14.402 -1.995 1.00 1.00 C ATOM 1275 CG GLU A 81 -2.997 -13.339 -2.794 1.00 1.00 C ATOM 1276 CD GLU A 81 -2.144 -12.671 -3.885 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -1.056 -13.183 -4.252 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -2.557 -11.625 -4.434 1.00 1.00 O ATOM 0 H GLU A 81 -2.368 -12.955 -0.045 1.00 1.00 H new ATOM 0 HA GLU A 81 -3.993 -15.041 -0.877 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -1.241 -14.001 -1.733 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.049 -15.269 -2.633 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.869 -13.803 -3.255 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -3.366 -12.575 -2.110 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.569 -16.270 0.823 1.00 1.00 N ATOM 1286 CA ASN A 82 -1.053 -17.447 1.534 1.00 1.00 C ATOM 1287 C ASN A 82 -1.855 -17.789 2.831 1.00 1.00 C ATOM 1288 O ASN A 82 -2.346 -18.908 2.995 1.00 1.00 O ATOM 1289 CB ASN A 82 0.456 -17.203 1.781 1.00 1.00 C ATOM 1290 CG ASN A 82 1.324 -17.379 0.538 1.00 1.00 C ATOM 1291 OD1 ASN A 82 1.827 -18.452 0.245 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.596 -16.340 -0.208 1.00 1.00 N ATOM 0 H ASN A 82 -1.246 -15.406 1.259 1.00 1.00 H new ATOM 0 HA ASN A 82 -1.186 -18.340 0.924 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.592 -16.193 2.167 1.00 1.00 H new ATOM 0 HB3 ASN A 82 0.803 -17.889 2.554 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.215 -16.438 -1.013 1.00 1.00 H new ATOM 0 HD22 ASN A 82 1.189 -15.432 0.015 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.930 -16.865 3.801 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.544 -17.021 5.140 1.00 1.00 C ATOM 1301 C LEU A 83 -4.093 -16.940 5.194 1.00 1.00 C ATOM 1302 O LEU A 83 -4.715 -17.668 5.970 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.917 -16.012 6.136 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.372 -15.989 6.244 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.077 -15.220 7.494 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.267 -17.379 6.291 1.00 1.00 C ATOM 0 H LEU A 83 -1.542 -15.931 3.669 1.00 1.00 H new ATOM 0 HA LEU A 83 -2.317 -18.047 5.428 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.251 -15.012 5.859 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -2.322 -16.220 7.127 1.00 1.00 H new ATOM 0 HG LEU A 83 -0.035 -15.494 5.334 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.166 -15.218 7.548 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -0.286 -14.194 7.440 1.00 1.00 H new ATOM 0 HD13 LEU A 83 -0.329 -15.702 8.383 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.350 -17.279 6.367 1.00 1.00 H new ATOM 0 HD22 LEU A 83 -0.109 -17.923 7.158 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.016 -17.926 5.382 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.729 -16.090 4.380 1.00 1.00 N ATOM 1319 CA ASP A 84 -6.192 -15.925 4.231 1.00 1.00 C ATOM 1320 C ASP A 84 -6.837 -16.737 3.070 1.00 1.00 C ATOM 1321 O ASP A 84 -8.062 -16.684 2.904 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.498 -14.432 4.033 1.00 1.00 C ATOM 1323 CG ASP A 84 -6.120 -13.564 5.233 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -6.771 -13.718 6.291 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -5.255 -12.662 5.139 1.00 1.00 O ATOM 0 H ASP A 84 -4.212 -15.458 3.768 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.634 -16.324 5.144 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.963 -14.074 3.154 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.562 -14.312 3.829 1.00 1.00 H new ATOM 1330 N ALA A 85 -6.039 -17.502 2.312 1.00 1.00 N ATOM 1331 CA ALA A 85 -6.323 -18.241 1.066 1.00 1.00 C ATOM 1332 C ALA A 85 -7.537 -19.201 1.111 1.00 1.00 C ATOM 1333 O ALA A 85 -7.437 -20.308 1.693 1.00 1.00 O ATOM 1334 CB ALA A 85 -5.002 -18.935 0.683 1.00 1.00 C ATOM 1335 OXT ALA A 85 -8.620 -18.808 0.619 1.00 1.00 O ATOM 0 H ALA A 85 -5.066 -17.635 2.586 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.650 -17.540 0.298 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -5.143 -19.503 -0.236 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -4.227 -18.184 0.530 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -4.700 -19.610 1.484 1.00 1.00 H new TER 1341 ALA A 85 ATOM 1342 N GLY B 126 -15.014 23.311 13.205 1.00 1.00 N ATOM 1343 CA GLY B 126 -15.731 23.751 14.415 1.00 1.00 C ATOM 1344 C GLY B 126 -15.117 23.050 15.599 1.00 1.00 C ATOM 1345 O GLY B 126 -14.155 23.566 16.153 1.00 1.00 O ATOM 0 HA2 GLY B 126 -15.656 24.832 14.531 1.00 1.00 H new ATOM 0 HA3 GLY B 126 -16.792 23.512 14.338 1.00 1.00 H new ATOM 1351 N ALA B 127 -15.714 21.936 16.020 1.00 1.00 N ATOM 1352 CA ALA B 127 -15.167 21.013 17.020 1.00 1.00 C ATOM 1353 C ALA B 127 -15.434 19.590 16.476 1.00 1.00 C ATOM 1354 O ALA B 127 -16.561 19.094 16.501 1.00 1.00 O ATOM 1355 CB ALA B 127 -15.826 21.280 18.385 1.00 1.00 C ATOM 0 H ALA B 127 -16.622 21.639 15.664 1.00 1.00 H new ATOM 0 HA ALA B 127 -14.097 21.142 17.181 1.00 1.00 H new ATOM 0 HB1 ALA B 127 -15.418 20.593 19.127 1.00 1.00 H new ATOM 0 HB2 ALA B 127 -15.625 22.306 18.692 1.00 1.00 H new ATOM 0 HB3 ALA B 127 -16.903 21.130 18.305 1.00 1.00 H new ATOM 1361 N GLU B 128 -14.379 18.924 16.008 1.00 1.00 N ATOM 1362 CA GLU B 128 -14.410 17.596 15.365 1.00 1.00 C ATOM 1363 C GLU B 128 -13.250 16.696 15.844 1.00 1.00 C ATOM 1364 O GLU B 128 -12.083 17.091 15.739 1.00 1.00 O ATOM 1365 CB GLU B 128 -14.426 17.724 13.821 1.00 1.00 C ATOM 1366 CG GLU B 128 -15.571 18.564 13.196 1.00 1.00 C ATOM 1367 CD GLU B 128 -15.363 20.093 13.260 1.00 1.00 C ATOM 1368 OE1 GLU B 128 -14.243 20.585 12.981 1.00 1.00 O ATOM 1369 OE2 GLU B 128 -16.305 20.869 13.541 1.00 1.00 O ATOM 0 H GLU B 128 -13.435 19.306 16.066 1.00 1.00 H new ATOM 0 HA GLU B 128 -15.337 17.110 15.670 1.00 1.00 H new ATOM 0 HB2 GLU B 128 -13.477 18.158 13.507 1.00 1.00 H new ATOM 0 HB3 GLU B 128 -14.472 16.720 13.398 1.00 1.00 H new ATOM 0 HG2 GLU B 128 -15.690 18.271 12.153 1.00 1.00 H new ATOM 0 HG3 GLU B 128 -16.503 18.317 13.704 1.00 1.00 H new ATOM 1376 N ASP B 129 -13.540 15.494 16.357 1.00 1.00 N ATOM 1377 CA ASP B 129 -12.523 14.478 16.697 1.00 1.00 C ATOM 1378 C ASP B 129 -13.024 13.026 16.536 1.00 1.00 C ATOM 1379 O ASP B 129 -14.172 12.717 16.877 1.00 1.00 O ATOM 1380 CB ASP B 129 -11.949 14.740 18.110 1.00 1.00 C ATOM 1381 CG ASP B 129 -10.461 14.391 18.161 1.00 1.00 C ATOM 1382 OD1 ASP B 129 -9.631 15.279 17.851 1.00 1.00 O ATOM 1383 OD2 ASP B 129 -10.102 13.231 18.458 1.00 1.00 O ATOM 0 H ASP B 129 -14.495 15.192 16.551 1.00 1.00 H new ATOM 0 HA ASP B 129 -11.717 14.582 15.971 1.00 1.00 H new ATOM 0 HB2 ASP B 129 -12.092 15.787 18.378 1.00 1.00 H new ATOM 0 HB3 ASP B 129 -12.493 14.146 18.845 1.00 1.00 H new ATOM 1388 N ALA B 130 -12.162 12.144 16.015 1.00 1.00 N ATOM 1389 CA ALA B 130 -12.423 10.730 15.725 1.00 1.00 C ATOM 1390 C ALA B 130 -11.281 9.826 16.257 1.00 1.00 C ATOM 1391 O ALA B 130 -10.358 9.466 15.514 1.00 1.00 O ATOM 1392 CB ALA B 130 -12.629 10.608 14.198 1.00 1.00 C ATOM 0 H ALA B 130 -11.209 12.414 15.771 1.00 1.00 H new ATOM 0 HA ALA B 130 -13.320 10.383 16.238 1.00 1.00 H new ATOM 0 HB1 ALA B 130 -12.827 9.568 13.939 1.00 1.00 H new ATOM 0 HB2 ALA B 130 -13.475 11.224 13.895 1.00 1.00 H new ATOM 0 HB3 ALA B 130 -11.731 10.946 13.682 1.00 1.00 H new ATOM 1398 N GLN B 131 -11.366 9.383 17.519 1.00 1.00 N ATOM 1399 CA GLN B 131 -10.301 8.641 18.225 1.00 1.00 C ATOM 1400 C GLN B 131 -10.670 7.183 18.582 1.00 1.00 C ATOM 1401 O GLN B 131 -11.527 6.913 19.429 1.00 1.00 O ATOM 1402 CB GLN B 131 -9.739 9.440 19.426 1.00 1.00 C ATOM 1403 CG GLN B 131 -10.695 9.699 20.609 1.00 1.00 C ATOM 1404 CD GLN B 131 -9.967 10.262 21.826 1.00 1.00 C ATOM 1405 OE1 GLN B 131 -10.017 11.444 22.134 1.00 1.00 O ATOM 1406 NE2 GLN B 131 -9.272 9.454 22.586 1.00 1.00 N ATOM 0 H GLN B 131 -12.195 9.532 18.095 1.00 1.00 H new ATOM 0 HA GLN B 131 -9.489 8.539 17.505 1.00 1.00 H new ATOM 0 HB2 GLN B 131 -8.866 8.909 19.807 1.00 1.00 H new ATOM 0 HB3 GLN B 131 -9.389 10.404 19.057 1.00 1.00 H new ATOM 0 HG2 GLN B 131 -11.473 10.396 20.299 1.00 1.00 H new ATOM 0 HG3 GLN B 131 -11.191 8.768 20.883 1.00 1.00 H new ATOM 0 HE21 GLN B 131 -9.212 8.462 22.355 1.00 1.00 H new ATOM 0 HE22 GLN B 131 -8.791 9.816 23.409 1.00 1.00 H new ATOM 1415 N ASP B 132 -9.997 6.225 17.941 1.00 1.00 N ATOM 1416 CA ASP B 132 -10.037 4.782 18.221 1.00 1.00 C ATOM 1417 C ASP B 132 -8.691 4.347 18.851 1.00 1.00 C ATOM 1418 O ASP B 132 -7.729 3.989 18.170 1.00 1.00 O ATOM 1419 CB ASP B 132 -10.490 3.984 16.977 1.00 1.00 C ATOM 1420 CG ASP B 132 -9.671 4.173 15.690 1.00 1.00 C ATOM 1421 OD1 ASP B 132 -9.273 5.317 15.354 1.00 1.00 O ATOM 1422 OD2 ASP B 132 -9.502 3.182 14.939 1.00 1.00 O ATOM 0 H ASP B 132 -9.371 6.445 17.166 1.00 1.00 H new ATOM 0 HA ASP B 132 -10.799 4.549 18.964 1.00 1.00 H new ATOM 0 HB2 ASP B 132 -10.480 2.924 17.232 1.00 1.00 H new ATOM 0 HB3 ASP B 132 -11.525 4.250 16.762 1.00 1.00 H new ATOM 1427 N ASP B 133 -8.623 4.447 20.185 1.00 1.00 N ATOM 1428 CA ASP B 133 -7.469 4.160 21.051 1.00 1.00 C ATOM 1429 C ASP B 133 -7.017 2.690 20.948 1.00 1.00 C ATOM 1430 O ASP B 133 -7.729 1.777 21.375 1.00 1.00 O ATOM 1431 CB ASP B 133 -7.814 4.541 22.505 1.00 1.00 C ATOM 1432 CG ASP B 133 -7.905 6.059 22.686 1.00 1.00 C ATOM 1433 OD1 ASP B 133 -8.959 6.653 22.359 1.00 1.00 O ATOM 1434 OD2 ASP B 133 -6.889 6.658 23.113 1.00 1.00 O ATOM 0 H ASP B 133 -9.431 4.753 20.728 1.00 1.00 H new ATOM 0 HA ASP B 133 -6.626 4.763 20.712 1.00 1.00 H new ATOM 0 HB2 ASP B 133 -8.763 4.083 22.786 1.00 1.00 H new ATOM 0 HB3 ASP B 133 -7.055 4.139 23.176 1.00 1.00 H new ATOM 1439 N LEU B 134 -5.848 2.451 20.349 1.00 1.00 N ATOM 1440 CA LEU B 134 -5.312 1.122 20.022 1.00 1.00 C ATOM 1441 C LEU B 134 -3.788 1.044 20.269 1.00 1.00 C ATOM 1442 O LEU B 134 -3.035 1.912 19.815 1.00 1.00 O ATOM 1443 CB LEU B 134 -5.760 0.791 18.577 1.00 1.00 C ATOM 1444 CG LEU B 134 -5.682 -0.705 18.198 1.00 1.00 C ATOM 1445 CD1 LEU B 134 -6.724 -1.039 17.124 1.00 1.00 C ATOM 1446 CD2 LEU B 134 -4.298 -1.110 17.676 1.00 1.00 C ATOM 0 H LEU B 134 -5.222 3.205 20.066 1.00 1.00 H new ATOM 0 HA LEU B 134 -5.711 0.353 20.684 1.00 1.00 H new ATOM 0 HB2 LEU B 134 -6.787 1.132 18.444 1.00 1.00 H new ATOM 0 HB3 LEU B 134 -5.143 1.360 17.882 1.00 1.00 H new ATOM 0 HG LEU B 134 -5.880 -1.264 19.113 1.00 1.00 H new ATOM 0 HD11 LEU B 134 -6.656 -2.096 16.868 1.00 1.00 H new ATOM 0 HD12 LEU B 134 -7.722 -0.821 17.505 1.00 1.00 H new ATOM 0 HD13 LEU B 134 -6.536 -0.437 16.235 1.00 1.00 H new ATOM 0 HD21 LEU B 134 -4.300 -2.171 17.425 1.00 1.00 H new ATOM 0 HD22 LEU B 134 -4.060 -0.527 16.786 1.00 1.00 H new ATOM 0 HD23 LEU B 134 -3.549 -0.921 18.445 1.00 1.00 H new ATOM 1458 N VAL B 135 -3.331 0.013 20.997 1.00 1.00 N ATOM 1459 CA VAL B 135 -1.927 -0.155 21.473 1.00 1.00 C ATOM 1460 C VAL B 135 -1.231 -1.397 20.856 1.00 1.00 C ATOM 1461 O VAL B 135 -0.269 -1.192 20.104 1.00 1.00 O ATOM 1462 CB VAL B 135 -1.830 -0.047 23.015 1.00 1.00 C ATOM 1463 CG1 VAL B 135 -0.394 -0.247 23.518 1.00 1.00 C ATOM 1464 CG2 VAL B 135 -2.326 1.317 23.532 1.00 1.00 C ATOM 0 H VAL B 135 -3.937 -0.755 21.285 1.00 1.00 H new ATOM 0 HA VAL B 135 -1.343 0.684 21.094 1.00 1.00 H new ATOM 0 HB VAL B 135 -2.469 -0.842 23.400 1.00 1.00 H new ATOM 0 HG11 VAL B 135 -0.374 -0.163 24.605 1.00 1.00 H new ATOM 0 HG12 VAL B 135 -0.040 -1.235 23.224 1.00 1.00 H new ATOM 0 HG13 VAL B 135 0.253 0.515 23.083 1.00 1.00 H new ATOM 0 HG21 VAL B 135 -2.240 1.348 24.618 1.00 1.00 H new ATOM 0 HG22 VAL B 135 -1.721 2.113 23.097 1.00 1.00 H new ATOM 0 HG23 VAL B 135 -3.369 1.457 23.247 1.00 1.00 H new ATOM 1474 N PRO B 136 -1.649 -2.665 21.106 1.00 1.00 N ATOM 1475 CA PRO B 136 -1.128 -3.852 20.397 1.00 1.00 C ATOM 1476 C PRO B 136 -1.676 -3.863 18.948 1.00 1.00 C ATOM 1477 O PRO B 136 -2.760 -4.390 18.683 1.00 1.00 O ATOM 1478 CB PRO B 136 -1.568 -5.061 21.242 1.00 1.00 C ATOM 1479 CG PRO B 136 -2.865 -4.579 21.896 1.00 1.00 C ATOM 1480 CD PRO B 136 -2.595 -3.094 22.136 1.00 1.00 C ATOM 0 HA PRO B 136 -0.043 -3.864 20.295 1.00 1.00 H new ATOM 0 HB2 PRO B 136 -1.733 -5.945 20.625 1.00 1.00 H new ATOM 0 HB3 PRO B 136 -0.817 -5.327 21.986 1.00 1.00 H new ATOM 0 HG2 PRO B 136 -3.727 -4.733 21.246 1.00 1.00 H new ATOM 0 HG3 PRO B 136 -3.069 -5.108 22.827 1.00 1.00 H new ATOM 0 HD2 PRO B 136 -3.519 -2.518 22.076 1.00 1.00 H new ATOM 0 HD3 PRO B 136 -2.182 -2.932 23.132 1.00 1.00 H new ATOM 1488 N SER B 137 -0.937 -3.289 17.988 1.00 1.00 N ATOM 1489 CA SER B 137 -1.411 -3.064 16.602 1.00 1.00 C ATOM 1490 C SER B 137 -1.090 -4.224 15.642 1.00 1.00 C ATOM 1491 O SER B 137 0.031 -4.398 15.155 1.00 1.00 O ATOM 1492 CB SER B 137 -0.846 -1.723 16.078 1.00 1.00 C ATOM 1493 OG SER B 137 0.557 -1.609 16.236 1.00 1.00 O ATOM 0 H SER B 137 0.016 -2.962 18.146 1.00 1.00 H new ATOM 0 HA SER B 137 -2.500 -3.017 16.635 1.00 1.00 H new ATOM 0 HB2 SER B 137 -1.096 -1.619 15.022 1.00 1.00 H new ATOM 0 HB3 SER B 137 -1.332 -0.901 16.603 1.00 1.00 H new ATOM 0 HG SER B 137 0.984 -2.457 15.992 1.00 1.00 H new ATOM 1499 N ILE B 138 -2.144 -4.969 15.283 1.00 1.00 N ATOM 1500 CA ILE B 138 -2.173 -6.059 14.287 1.00 1.00 C ATOM 1501 C ILE B 138 -3.358 -5.846 13.326 1.00 1.00 C ATOM 1502 O ILE B 138 -4.445 -6.406 13.479 1.00 1.00 O ATOM 1503 CB ILE B 138 -2.120 -7.496 14.901 1.00 1.00 C ATOM 1504 CG1 ILE B 138 -0.923 -7.733 15.868 1.00 1.00 C ATOM 1505 CG2 ILE B 138 -2.018 -8.537 13.757 1.00 1.00 C ATOM 1506 CD1 ILE B 138 -1.186 -7.360 17.335 1.00 1.00 C ATOM 0 H ILE B 138 -3.060 -4.820 15.705 1.00 1.00 H new ATOM 0 HA ILE B 138 -1.248 -6.004 13.714 1.00 1.00 H new ATOM 0 HB ILE B 138 -3.035 -7.605 15.483 1.00 1.00 H new ATOM 0 HG12 ILE B 138 -0.642 -8.785 15.822 1.00 1.00 H new ATOM 0 HG13 ILE B 138 -0.068 -7.158 15.511 1.00 1.00 H new ATOM 0 HG21 ILE B 138 -1.981 -9.541 14.181 1.00 1.00 H new ATOM 0 HG22 ILE B 138 -2.889 -8.450 13.107 1.00 1.00 H new ATOM 0 HG23 ILE B 138 -1.113 -8.354 13.178 1.00 1.00 H new ATOM 0 HD11 ILE B 138 -0.293 -7.561 17.927 1.00 1.00 H new ATOM 0 HD12 ILE B 138 -1.435 -6.301 17.402 1.00 1.00 H new ATOM 0 HD13 ILE B 138 -2.017 -7.953 17.718 1.00 1.00 H new ATOM 1518 N GLN B 139 -3.151 -4.936 12.376 1.00 1.00 N ATOM 1519 CA GLN B 139 -4.015 -4.649 11.228 1.00 1.00 C ATOM 1520 C GLN B 139 -3.092 -4.297 10.051 1.00 1.00 C ATOM 1521 O GLN B 139 -2.580 -3.184 9.924 1.00 1.00 O ATOM 1522 CB GLN B 139 -5.098 -3.583 11.547 1.00 1.00 C ATOM 1523 CG GLN B 139 -4.674 -2.175 12.022 1.00 1.00 C ATOM 1524 CD GLN B 139 -4.227 -2.104 13.476 1.00 1.00 C ATOM 1525 OE1 GLN B 139 -3.097 -2.401 13.832 1.00 1.00 O ATOM 1526 NE2 GLN B 139 -5.063 -1.660 14.374 1.00 1.00 N ATOM 0 H GLN B 139 -2.323 -4.340 12.386 1.00 1.00 H new ATOM 0 HA GLN B 139 -4.612 -5.520 10.958 1.00 1.00 H new ATOM 0 HB2 GLN B 139 -5.702 -3.455 10.649 1.00 1.00 H new ATOM 0 HB3 GLN B 139 -5.750 -4.002 12.313 1.00 1.00 H new ATOM 0 HG2 GLN B 139 -3.861 -1.822 11.388 1.00 1.00 H new ATOM 0 HG3 GLN B 139 -5.510 -1.491 11.879 1.00 1.00 H new ATOM 0 HE21 GLN B 139 -6.013 -1.405 14.104 1.00 1.00 H new ATOM 0 HE22 GLN B 139 -4.767 -1.568 15.346 1.00 1.00 H new ATOM 1535 N ASP B 140 -2.838 -5.280 9.189 1.00 1.00 N ATOM 1536 CA ASP B 140 -1.966 -5.160 8.015 1.00 1.00 C ATOM 1537 C ASP B 140 -2.616 -5.952 6.857 1.00 1.00 C ATOM 1538 O ASP B 140 -2.415 -7.160 6.732 1.00 1.00 O ATOM 1539 CB ASP B 140 -0.513 -5.583 8.400 1.00 1.00 C ATOM 1540 CG ASP B 140 -0.113 -5.384 9.889 1.00 1.00 C ATOM 1541 OD1 ASP B 140 0.248 -4.264 10.330 1.00 1.00 O ATOM 1542 OD2 ASP B 140 -0.186 -6.366 10.664 1.00 1.00 O ATOM 0 H ASP B 140 -3.244 -6.211 9.288 1.00 1.00 H new ATOM 0 HA ASP B 140 -1.866 -4.134 7.662 1.00 1.00 H new ATOM 0 HB2 ASP B 140 -0.384 -6.636 8.148 1.00 1.00 H new ATOM 0 HB3 ASP B 140 0.184 -5.019 7.780 1.00 1.00 H new ATOM 1547 N ASP B 141 -3.348 -5.265 5.966 1.00 1.00 N ATOM 1548 CA ASP B 141 -4.182 -5.884 4.915 1.00 1.00 C ATOM 1549 C ASP B 141 -4.284 -5.141 3.552 1.00 1.00 C ATOM 1550 O ASP B 141 -5.056 -5.565 2.690 1.00 1.00 O ATOM 1551 CB ASP B 141 -5.572 -6.221 5.511 1.00 1.00 C ATOM 1552 CG ASP B 141 -5.516 -7.207 6.692 1.00 1.00 C ATOM 1553 OD1 ASP B 141 -5.285 -8.421 6.489 1.00 1.00 O ATOM 1554 OD2 ASP B 141 -5.757 -6.794 7.849 1.00 1.00 O ATOM 0 H ASP B 141 -3.380 -4.246 5.953 1.00 1.00 H new ATOM 0 HA ASP B 141 -3.651 -6.790 4.622 1.00 1.00 H new ATOM 0 HB2 ASP B 141 -6.049 -5.298 5.842 1.00 1.00 H new ATOM 0 HB3 ASP B 141 -6.201 -6.642 4.727 1.00 1.00 H new ATOM 1559 N GLY B 142 -3.486 -4.082 3.331 1.00 1.00 N ATOM 1560 CA GLY B 142 -3.343 -3.370 2.045 1.00 1.00 C ATOM 1561 C GLY B 142 -3.479 -1.836 2.085 1.00 1.00 C ATOM 1562 O GLY B 142 -4.599 -1.326 2.032 1.00 1.00 O ATOM 0 H GLY B 142 -2.902 -3.683 4.066 1.00 1.00 H new ATOM 0 HA2 GLY B 142 -2.366 -3.614 1.628 1.00 1.00 H new ATOM 0 HA3 GLY B 142 -4.091 -3.760 1.355 1.00 1.00 H new ATOM 1566 N SER B 143 -2.364 -1.092 2.187 1.00 1.00 N ATOM 1567 CA SER B 143 -2.308 0.395 2.059 1.00 1.00 C ATOM 1568 C SER B 143 -0.954 1.001 1.608 1.00 1.00 C ATOM 1569 O SER B 143 0.116 0.477 1.930 1.00 1.00 O ATOM 1570 CB SER B 143 -2.720 1.068 3.376 1.00 1.00 C ATOM 1571 OG SER B 143 -3.190 2.365 3.102 1.00 1.00 O ATOM 0 H SER B 143 -1.449 -1.507 2.365 1.00 1.00 H new ATOM 0 HA SER B 143 -3.010 0.601 1.251 1.00 1.00 H new ATOM 0 HB2 SER B 143 -3.496 0.483 3.870 1.00 1.00 H new ATOM 0 HB3 SER B 143 -1.871 1.112 4.058 1.00 1.00 H new ATOM 0 HG SER B 143 -3.456 2.800 3.939 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.000 2.130 0.887 1.00 1.00 N ATOM 1578 CA GLU B 144 0.125 2.980 0.427 1.00 1.00 C ATOM 1579 C GLU B 144 -0.122 4.474 0.772 1.00 1.00 C ATOM 1580 O GLU B 144 -0.924 5.146 0.115 1.00 1.00 O ATOM 1581 CB GLU B 144 0.375 2.835 -1.096 1.00 1.00 C ATOM 1582 CG GLU B 144 1.742 3.416 -1.541 1.00 1.00 C ATOM 1583 CD GLU B 144 1.734 3.923 -2.996 1.00 1.00 C ATOM 1584 OE1 GLU B 144 1.498 3.094 -3.909 1.00 1.00 O ATOM 1585 OE2 GLU B 144 1.904 5.152 -3.225 1.00 1.00 O ATOM 0 H GLU B 144 -1.896 2.510 0.581 1.00 1.00 H new ATOM 0 HA GLU B 144 1.013 2.633 0.956 1.00 1.00 H new ATOM 0 HB2 GLU B 144 0.328 1.781 -1.368 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -0.423 3.340 -1.640 1.00 1.00 H new ATOM 0 HG2 GLU B 144 2.016 4.236 -0.877 1.00 1.00 H new ATOM 0 HG3 GLU B 144 2.509 2.649 -1.433 1.00 1.00 H new ATOM 1592 N SER B 145 0.522 4.996 1.819 1.00 1.00 N ATOM 1593 CA SER B 145 0.561 6.419 2.217 1.00 1.00 C ATOM 1594 C SER B 145 1.727 6.736 3.176 1.00 1.00 C ATOM 1595 O SER B 145 2.175 5.882 3.941 1.00 1.00 O ATOM 1596 CB SER B 145 -0.755 6.810 2.899 1.00 1.00 C ATOM 1597 OG SER B 145 -0.856 8.219 3.030 1.00 1.00 O ATOM 0 H SER B 145 1.064 4.409 2.453 1.00 1.00 H new ATOM 0 HA SER B 145 0.709 6.995 1.303 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.597 6.433 2.318 1.00 1.00 H new ATOM 0 HB3 SER B 145 -0.812 6.344 3.883 1.00 1.00 H new ATOM 0 HG SER B 145 -1.704 8.447 3.466 1.00 1.00 H new ATOM 1603 N GLY B 146 2.240 7.973 3.147 1.00 1.00 N ATOM 1604 CA GLY B 146 3.233 8.497 4.110 1.00 1.00 C ATOM 1605 C GLY B 146 4.165 9.627 3.654 1.00 1.00 C ATOM 1606 O GLY B 146 4.811 10.245 4.497 1.00 1.00 O ATOM 0 H GLY B 146 1.974 8.657 2.439 1.00 1.00 H new ATOM 0 HA2 GLY B 146 2.691 8.848 4.988 1.00 1.00 H new ATOM 0 HA3 GLY B 146 3.856 7.662 4.432 1.00 1.00 H new ATOM 1610 N ALA B 147 4.246 9.904 2.345 1.00 1.00 N ATOM 1611 CA ALA B 147 5.046 10.980 1.726 1.00 1.00 C ATOM 1612 C ALA B 147 6.561 10.979 2.090 1.00 1.00 C ATOM 1613 O ALA B 147 7.222 12.023 2.145 1.00 1.00 O ATOM 1614 CB ALA B 147 4.322 12.321 1.949 1.00 1.00 C ATOM 0 H ALA B 147 3.732 9.360 1.652 1.00 1.00 H new ATOM 0 HA ALA B 147 5.099 10.790 0.654 1.00 1.00 H new ATOM 0 HB1 ALA B 147 4.901 13.127 1.497 1.00 1.00 H new ATOM 0 HB2 ALA B 147 3.334 12.282 1.490 1.00 1.00 H new ATOM 0 HB3 ALA B 147 4.218 12.505 3.018 1.00 1.00 H new ATOM 1620 N CYS B 148 7.129 9.789 2.334 1.00 1.00 N ATOM 1621 CA CYS B 148 8.543 9.578 2.657 1.00 1.00 C ATOM 1622 C CYS B 148 9.472 9.762 1.418 1.00 1.00 C ATOM 1623 O CYS B 148 9.180 9.361 0.289 1.00 1.00 O ATOM 1624 CB CYS B 148 8.696 8.205 3.340 1.00 1.00 C ATOM 1625 SG CYS B 148 8.655 8.227 5.164 1.00 1.00 S ATOM 0 H CYS B 148 6.597 8.919 2.310 1.00 1.00 H new ATOM 0 HA CYS B 148 8.873 10.347 3.356 1.00 1.00 H new ATOM 0 HB2 CYS B 148 7.900 7.551 2.984 1.00 1.00 H new ATOM 0 HB3 CYS B 148 9.640 7.763 3.020 1.00 1.00 H new ATOM 1630 N LYS B 149 10.613 10.394 1.704 1.00 1.00 N ATOM 1631 CA LYS B 149 11.755 10.955 0.929 1.00 1.00 C ATOM 1632 C LYS B 149 12.718 11.636 1.939 1.00 1.00 C ATOM 1633 O LYS B 149 12.412 11.646 3.130 1.00 1.00 O ATOM 1634 CB LYS B 149 11.245 11.931 -0.169 1.00 1.00 C ATOM 1635 CG LYS B 149 10.619 13.254 0.331 1.00 1.00 C ATOM 1636 CD LYS B 149 9.600 13.887 -0.640 1.00 1.00 C ATOM 1637 CE LYS B 149 10.143 14.223 -2.035 1.00 1.00 C ATOM 1638 NZ LYS B 149 9.067 14.685 -2.948 1.00 1.00 N ATOM 0 H LYS B 149 10.802 10.562 2.692 1.00 1.00 H new ATOM 0 HA LYS B 149 12.295 10.170 0.400 1.00 1.00 H new ATOM 0 HB2 LYS B 149 12.080 12.174 -0.826 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.504 11.409 -0.774 1.00 1.00 H new ATOM 0 HG2 LYS B 149 10.126 13.070 1.286 1.00 1.00 H new ATOM 0 HG3 LYS B 149 11.418 13.972 0.518 1.00 1.00 H new ATOM 0 HD2 LYS B 149 8.757 13.205 -0.751 1.00 1.00 H new ATOM 0 HD3 LYS B 149 9.213 14.801 -0.189 1.00 1.00 H new ATOM 0 HE2 LYS B 149 10.906 14.997 -1.951 1.00 1.00 H new ATOM 0 HE3 LYS B 149 10.626 13.343 -2.459 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 9.169 14.216 -3.871 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 8.140 14.448 -2.540 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 9.137 15.715 -3.074 1.00 1.00 H new ATOM 1652 N ILE B 150 13.871 12.177 1.529 1.00 1.00 N ATOM 1653 CA ILE B 150 14.768 13.013 2.396 1.00 1.00 C ATOM 1654 C ILE B 150 13.988 14.045 3.258 1.00 1.00 C ATOM 1655 O ILE B 150 14.159 14.031 4.500 1.00 1.00 O ATOM 1656 CB ILE B 150 15.925 13.616 1.548 1.00 1.00 C ATOM 1657 CG1 ILE B 150 17.082 14.210 2.390 1.00 1.00 C ATOM 1658 CG2 ILE B 150 15.413 14.693 0.573 1.00 1.00 C ATOM 1659 CD1 ILE B 150 17.850 13.174 3.220 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.082 14.732 2.733 1.00 1.00 O ATOM 0 H ILE B 150 14.228 12.057 0.581 1.00 1.00 H new ATOM 0 HA ILE B 150 15.233 12.365 3.139 1.00 1.00 H new ATOM 0 HB ILE B 150 16.326 12.768 0.993 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.780 14.715 1.723 1.00 1.00 H new ATOM 0 HG13 ILE B 150 16.677 14.968 3.060 1.00 1.00 H new ATOM 0 HG21 ILE B 150 16.249 15.091 -0.002 1.00 1.00 H new ATOM 0 HG22 ILE B 150 14.683 14.252 -0.106 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.943 15.500 1.136 1.00 1.00 H new ATOM 0 HD11 ILE B 150 18.642 13.671 3.780 1.00 1.00 H new ATOM 0 HD12 ILE B 150 17.167 12.685 3.915 1.00 1.00 H new ATOM 0 HD13 ILE B 150 18.287 12.428 2.556 1.00 1.00 H new TER 1672 ILE B 150