USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 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 : amide:sc= -0.487 K(o=-0.56,f=-4.2!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.077 K(o=-0.56,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.66 (180deg=1.36) USER MOD Single : A 2 GLN : amide:sc= 0.235 K(o=0.24,f=-2.9!) USER MOD Single : A 3 THR OG1 : rot 162:sc= 1.4 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 -160:sc= 1.27 USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 2.5 (180deg=2.44) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 77:sc= 1.31 USER MOD Single : A 26 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.17) USER MOD Single : A 33 TYR OH : rot 171:sc= 1.08 USER MOD Single : A 34 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 35 TYR OH : rot -133:sc= 0.364 USER MOD Single : A 44 THR OG1 : rot -88:sc= 0.47 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 0.926 (180deg=-1.39) USER MOD Single : A 49 GLN : amide:sc= 0.693 K(o=0.69,f=0) USER MOD Single : A 50 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.872) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 96:sc= 0.622 USER MOD Single : A 66 GLN : amide:sc= 0.84 K(o=0.84,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 72 TYR OH : rot -21:sc= 1.27 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 1.06 (180deg=1.06) USER MOD Single : A 82 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : B 131 GLN : amide:sc= -2.4! K(o=-2.4!,f=-0.34) USER MOD Single : B 137 SER OG : rot -120:sc= 1.03 USER MOD Single : B 139 GLN : amide:sc= 0 X(o=0,f=0) 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+ -171:sc= 0.271 (180deg=0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.724 -16.740 -0.712 1.00 1.00 N ATOM 2 CA MET A 1 13.941 -15.491 -0.859 1.00 1.00 C ATOM 3 C MET A 1 14.714 -14.290 -0.311 1.00 1.00 C ATOM 4 O MET A 1 14.979 -14.232 0.884 1.00 1.00 O ATOM 5 CB MET A 1 12.547 -15.608 -0.203 1.00 1.00 C ATOM 6 CG MET A 1 11.690 -14.341 -0.384 1.00 1.00 C ATOM 7 SD MET A 1 9.967 -14.636 -0.859 1.00 1.00 S ATOM 8 CE MET A 1 10.220 -15.099 -2.598 1.00 1.00 C ATOM 0 H1 MET A 1 14.099 -17.560 -0.849 1.00 1.00 H new ATOM 0 H2 MET A 1 15.482 -16.760 -1.424 1.00 1.00 H new ATOM 0 H3 MET A 1 15.142 -16.778 0.240 1.00 1.00 H new ATOM 0 HA MET A 1 13.782 -15.329 -1.925 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.020 -16.461 -0.631 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.668 -15.810 0.861 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.701 -13.778 0.549 1.00 1.00 H new ATOM 0 HG3 MET A 1 12.156 -13.712 -1.142 1.00 1.00 H new ATOM 0 HE1 MET A 1 9.257 -15.319 -3.060 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.697 -14.275 -3.128 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.858 -15.982 -2.650 1.00 1.00 H new ATOM 20 N GLN A 2 15.020 -13.296 -1.156 1.00 1.00 N ATOM 21 CA GLN A 2 15.721 -12.045 -0.780 1.00 1.00 C ATOM 22 C GLN A 2 14.800 -10.807 -0.894 1.00 1.00 C ATOM 23 O GLN A 2 14.204 -10.579 -1.945 1.00 1.00 O ATOM 24 CB GLN A 2 17.037 -11.881 -1.581 1.00 1.00 C ATOM 25 CG GLN A 2 18.201 -11.298 -0.753 1.00 1.00 C ATOM 26 CD GLN A 2 17.966 -9.844 -0.355 1.00 1.00 C ATOM 27 OE1 GLN A 2 18.019 -8.935 -1.163 1.00 1.00 O ATOM 28 NE2 GLN A 2 17.637 -9.538 0.873 1.00 1.00 N ATOM 0 H GLN A 2 14.784 -13.334 -2.148 1.00 1.00 H new ATOM 0 HA GLN A 2 15.994 -12.122 0.273 1.00 1.00 H new ATOM 0 HB2 GLN A 2 17.335 -12.852 -1.975 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.852 -11.232 -2.437 1.00 1.00 H new ATOM 0 HG2 GLN A 2 18.340 -11.899 0.146 1.00 1.00 H new ATOM 0 HG3 GLN A 2 19.123 -11.369 -1.329 1.00 1.00 H new ATOM 0 HE21 GLN A 2 17.580 -10.268 1.583 1.00 1.00 H new ATOM 0 HE22 GLN A 2 17.437 -8.569 1.121 1.00 1.00 H new ATOM 37 N THR A 3 14.646 -10.041 0.191 1.00 1.00 N ATOM 38 CA THR A 3 13.760 -8.851 0.326 1.00 1.00 C ATOM 39 C THR A 3 14.549 -7.587 0.693 1.00 1.00 C ATOM 40 O THR A 3 15.213 -7.564 1.728 1.00 1.00 O ATOM 41 CB THR A 3 12.642 -9.091 1.367 1.00 1.00 C ATOM 42 OG1 THR A 3 11.812 -10.151 0.944 1.00 1.00 O ATOM 43 CG2 THR A 3 11.712 -7.888 1.561 1.00 1.00 C ATOM 0 H THR A 3 15.158 -10.234 1.052 1.00 1.00 H new ATOM 0 HA THR A 3 13.301 -8.696 -0.651 1.00 1.00 H new ATOM 0 HB THR A 3 13.163 -9.300 2.301 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.298 -10.488 1.707 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.954 -8.131 2.305 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.293 -7.030 1.901 1.00 1.00 H new ATOM 0 HG23 THR A 3 11.228 -7.646 0.615 1.00 1.00 H new ATOM 51 N VAL A 4 14.462 -6.519 -0.111 1.00 1.00 N ATOM 52 CA VAL A 4 15.136 -5.202 0.077 1.00 1.00 C ATOM 53 C VAL A 4 14.108 -4.082 0.321 1.00 1.00 C ATOM 54 O VAL A 4 13.125 -3.963 -0.401 1.00 1.00 O ATOM 55 CB VAL A 4 16.085 -4.848 -1.099 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.928 -3.597 -0.780 1.00 1.00 C ATOM 57 CG2 VAL A 4 17.048 -6.004 -1.432 1.00 1.00 C ATOM 0 H VAL A 4 13.893 -6.539 -0.957 1.00 1.00 H new ATOM 0 HA VAL A 4 15.759 -5.291 0.967 1.00 1.00 H new ATOM 0 HB VAL A 4 15.442 -4.656 -1.958 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.583 -3.375 -1.623 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.267 -2.749 -0.600 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.531 -3.782 0.109 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.693 -5.713 -2.261 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.659 -6.231 -0.559 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.473 -6.887 -1.713 1.00 1.00 H new ATOM 67 N ILE A 5 14.316 -3.246 1.339 1.00 1.00 N ATOM 68 CA ILE A 5 13.357 -2.248 1.879 1.00 1.00 C ATOM 69 C ILE A 5 13.917 -0.813 1.783 1.00 1.00 C ATOM 70 O ILE A 5 15.038 -0.579 2.226 1.00 1.00 O ATOM 71 CB ILE A 5 13.039 -2.605 3.362 1.00 1.00 C ATOM 72 CG1 ILE A 5 12.625 -4.089 3.612 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.984 -1.649 3.965 1.00 1.00 C ATOM 74 CD1 ILE A 5 13.022 -4.572 5.013 1.00 1.00 C ATOM 0 H ILE A 5 15.202 -3.237 1.845 1.00 1.00 H new ATOM 0 HA ILE A 5 12.445 -2.281 1.283 1.00 1.00 H new ATOM 0 HB ILE A 5 13.991 -2.473 3.876 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.547 -4.190 3.486 1.00 1.00 H new ATOM 0 HG13 ILE A 5 13.094 -4.727 2.863 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.788 -1.929 5.000 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.358 -0.626 3.931 1.00 1.00 H new ATOM 0 HG23 ILE A 5 11.061 -1.717 3.390 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.714 -5.610 5.141 1.00 1.00 H new ATOM 0 HD12 ILE A 5 14.103 -4.497 5.131 1.00 1.00 H new ATOM 0 HD13 ILE A 5 12.532 -3.952 5.764 1.00 1.00 H new ATOM 86 N PHE A 6 13.134 0.160 1.296 1.00 1.00 N ATOM 87 CA PHE A 6 13.547 1.562 1.079 1.00 1.00 C ATOM 88 C PHE A 6 12.843 2.578 2.022 1.00 1.00 C ATOM 89 O PHE A 6 11.622 2.745 1.993 1.00 1.00 O ATOM 90 CB PHE A 6 13.405 1.909 -0.420 1.00 1.00 C ATOM 91 CG PHE A 6 14.419 1.206 -1.323 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.145 -0.079 -1.849 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.657 1.824 -1.623 1.00 1.00 C ATOM 94 CE1 PHE A 6 15.092 -0.728 -2.675 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.597 1.183 -2.458 1.00 1.00 C ATOM 96 CZ PHE A 6 16.312 -0.094 -2.985 1.00 1.00 C ATOM 0 H PHE A 6 12.163 -0.008 1.032 1.00 1.00 H new ATOM 0 HA PHE A 6 14.598 1.652 1.355 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.399 1.647 -0.749 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.510 2.987 -0.544 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.209 -0.566 -1.619 1.00 1.00 H new ATOM 0 HD2 PHE A 6 15.884 2.795 -1.209 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.880 -1.711 -3.069 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.532 1.669 -2.693 1.00 1.00 H new ATOM 0 HZ PHE A 6 17.029 -0.586 -3.626 1.00 1.00 H new ATOM 106 N GLY A 7 13.631 3.248 2.883 1.00 1.00 N ATOM 107 CA GLY A 7 13.277 4.406 3.737 1.00 1.00 C ATOM 108 C GLY A 7 12.307 4.235 4.922 1.00 1.00 C ATOM 109 O GLY A 7 11.205 4.795 4.889 1.00 1.00 O ATOM 0 H GLY A 7 14.606 2.977 3.013 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.208 4.807 4.138 1.00 1.00 H new ATOM 0 HA3 GLY A 7 12.856 5.171 3.084 1.00 1.00 H new ATOM 113 N ARG A 8 12.731 3.587 6.023 1.00 1.00 N ATOM 114 CA ARG A 8 11.975 3.428 7.302 1.00 1.00 C ATOM 115 C ARG A 8 11.662 4.749 8.048 1.00 1.00 C ATOM 116 O ARG A 8 10.601 4.893 8.654 1.00 1.00 O ATOM 117 CB ARG A 8 12.761 2.466 8.228 1.00 1.00 C ATOM 118 CG ARG A 8 11.917 1.888 9.384 1.00 1.00 C ATOM 119 CD ARG A 8 12.807 1.297 10.492 1.00 1.00 C ATOM 120 NE ARG A 8 12.037 0.602 11.556 1.00 1.00 N ATOM 121 CZ ARG A 8 12.350 0.471 12.824 1.00 1.00 C ATOM 122 NH1 ARG A 8 13.280 1.141 13.409 1.00 1.00 N ATOM 123 NH2 ARG A 8 11.736 -0.381 13.565 1.00 1.00 N ATOM 0 H ARG A 8 13.646 3.138 6.058 1.00 1.00 H new ATOM 0 HA ARG A 8 11.000 3.021 7.034 1.00 1.00 H new ATOM 0 HB2 ARG A 8 13.155 1.643 7.631 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.617 2.996 8.645 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.286 2.672 9.802 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.252 1.115 8.999 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.512 0.596 10.046 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.395 2.097 10.942 1.00 1.00 H new ATOM 0 HE ARG A 8 11.158 0.174 11.266 1.00 1.00 H new ATOM 0 HH11 ARG A 8 13.825 1.823 12.882 1.00 1.00 H new ATOM 0 HH12 ARG A 8 13.472 0.990 14.399 1.00 1.00 H new ATOM 0 HH21 ARG A 8 10.998 -0.963 13.169 1.00 1.00 H new ATOM 0 HH22 ARG A 8 11.987 -0.475 14.549 1.00 1.00 H new ATOM 137 N SER A 9 12.613 5.684 8.036 1.00 1.00 N ATOM 138 CA SER A 9 12.664 6.953 8.795 1.00 1.00 C ATOM 139 C SER A 9 11.661 8.032 8.333 1.00 1.00 C ATOM 140 O SER A 9 11.721 8.493 7.188 1.00 1.00 O ATOM 141 CB SER A 9 14.094 7.503 8.709 1.00 1.00 C ATOM 142 OG SER A 9 14.268 8.675 9.471 1.00 1.00 O ATOM 0 H SER A 9 13.440 5.572 7.449 1.00 1.00 H new ATOM 0 HA SER A 9 12.372 6.718 9.818 1.00 1.00 H new ATOM 0 HB2 SER A 9 14.794 6.742 9.054 1.00 1.00 H new ATOM 0 HB3 SER A 9 14.338 7.711 7.667 1.00 1.00 H new ATOM 0 HG SER A 9 15.193 8.986 9.386 1.00 1.00 H new ATOM 148 N GLY A 10 10.732 8.424 9.217 1.00 1.00 N ATOM 149 CA GLY A 10 9.811 9.566 9.066 1.00 1.00 C ATOM 150 C GLY A 10 8.295 9.307 9.004 1.00 1.00 C ATOM 151 O GLY A 10 7.543 10.283 8.980 1.00 1.00 O ATOM 0 H GLY A 10 10.594 7.932 10.100 1.00 1.00 H new ATOM 0 HA2 GLY A 10 9.993 10.246 9.898 1.00 1.00 H new ATOM 0 HA3 GLY A 10 10.091 10.094 8.155 1.00 1.00 H new ATOM 155 N CYS A 11 7.819 8.053 8.943 1.00 1.00 N ATOM 156 CA CYS A 11 6.389 7.707 8.830 1.00 1.00 C ATOM 157 C CYS A 11 6.007 6.278 9.314 1.00 1.00 C ATOM 158 O CYS A 11 6.764 5.326 9.076 1.00 1.00 O ATOM 159 CB CYS A 11 5.960 7.898 7.365 1.00 1.00 C ATOM 160 SG CYS A 11 6.834 6.882 6.137 1.00 1.00 S ATOM 0 H CYS A 11 8.427 7.234 8.971 1.00 1.00 H new ATOM 0 HA CYS A 11 5.857 8.377 9.506 1.00 1.00 H new ATOM 0 HB2 CYS A 11 4.894 7.686 7.289 1.00 1.00 H new ATOM 0 HB3 CYS A 11 6.096 8.947 7.102 1.00 1.00 H new ATOM 165 N PRO A 12 4.795 6.083 9.892 1.00 1.00 N ATOM 166 CA PRO A 12 4.397 4.825 10.550 1.00 1.00 C ATOM 167 C PRO A 12 4.233 3.630 9.597 1.00 1.00 C ATOM 168 O PRO A 12 4.706 2.534 9.898 1.00 1.00 O ATOM 169 CB PRO A 12 3.098 5.156 11.304 1.00 1.00 C ATOM 170 CG PRO A 12 2.493 6.308 10.499 1.00 1.00 C ATOM 171 CD PRO A 12 3.734 7.081 10.054 1.00 1.00 C ATOM 0 HA PRO A 12 5.188 4.487 11.219 1.00 1.00 H new ATOM 0 HB2 PRO A 12 2.427 4.298 11.341 1.00 1.00 H new ATOM 0 HB3 PRO A 12 3.297 5.449 12.335 1.00 1.00 H new ATOM 0 HG2 PRO A 12 1.911 5.949 9.650 1.00 1.00 H new ATOM 0 HG3 PRO A 12 1.827 6.922 11.105 1.00 1.00 H new ATOM 0 HD2 PRO A 12 3.550 7.610 9.119 1.00 1.00 H new ATOM 0 HD3 PRO A 12 4.013 7.831 10.794 1.00 1.00 H new ATOM 179 N TYR A 13 3.630 3.837 8.419 1.00 1.00 N ATOM 180 CA TYR A 13 3.421 2.788 7.399 1.00 1.00 C ATOM 181 C TYR A 13 4.740 2.179 6.862 1.00 1.00 C ATOM 182 O TYR A 13 4.817 0.964 6.675 1.00 1.00 O ATOM 183 CB TYR A 13 2.538 3.340 6.266 1.00 1.00 C ATOM 184 CG TYR A 13 1.106 3.670 6.686 1.00 1.00 C ATOM 185 CD1 TYR A 13 0.154 2.633 6.837 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.722 5.009 6.938 1.00 1.00 C ATOM 187 CE1 TYR A 13 -1.174 2.928 7.229 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.603 5.307 7.336 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.554 4.269 7.479 1.00 1.00 C ATOM 190 OH TYR A 13 -2.834 4.570 7.819 1.00 1.00 O ATOM 0 H TYR A 13 3.267 4.748 8.139 1.00 1.00 H new ATOM 0 HA TYR A 13 2.906 1.958 7.882 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.003 4.241 5.865 1.00 1.00 H new ATOM 0 HB3 TYR A 13 2.507 2.610 5.457 1.00 1.00 H new ATOM 0 HD1 TYR A 13 0.443 1.609 6.652 1.00 1.00 H new ATOM 0 HD2 TYR A 13 1.443 5.806 6.826 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -1.896 2.132 7.337 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -0.889 6.330 7.531 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.918 5.537 7.955 1.00 1.00 H new ATOM 200 N SER A 14 5.797 2.993 6.677 1.00 1.00 N ATOM 201 CA SER A 14 7.166 2.532 6.332 1.00 1.00 C ATOM 202 C SER A 14 7.853 1.721 7.449 1.00 1.00 C ATOM 203 O SER A 14 8.502 0.711 7.162 1.00 1.00 O ATOM 204 CB SER A 14 8.074 3.705 5.936 1.00 1.00 C ATOM 205 OG SER A 14 9.080 3.237 5.061 1.00 1.00 O ATOM 0 H SER A 14 5.728 4.007 6.763 1.00 1.00 H new ATOM 0 HA SER A 14 7.026 1.865 5.482 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.489 4.487 5.452 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.525 4.148 6.824 1.00 1.00 H new ATOM 0 HG SER A 14 9.828 3.870 5.054 1.00 1.00 H new ATOM 211 N VAL A 15 7.667 2.112 8.726 1.00 1.00 N ATOM 212 CA VAL A 15 8.093 1.317 9.906 1.00 1.00 C ATOM 213 C VAL A 15 7.394 -0.045 9.926 1.00 1.00 C ATOM 214 O VAL A 15 8.095 -1.058 9.914 1.00 1.00 O ATOM 215 CB VAL A 15 7.865 2.036 11.261 1.00 1.00 C ATOM 216 CG1 VAL A 15 8.272 1.133 12.446 1.00 1.00 C ATOM 217 CG2 VAL A 15 8.675 3.336 11.339 1.00 1.00 C ATOM 0 H VAL A 15 7.215 2.992 8.974 1.00 1.00 H new ATOM 0 HA VAL A 15 9.169 1.185 9.794 1.00 1.00 H new ATOM 0 HB VAL A 15 6.801 2.263 11.324 1.00 1.00 H new ATOM 0 HG11 VAL A 15 8.101 1.663 13.383 1.00 1.00 H new ATOM 0 HG12 VAL A 15 7.674 0.221 12.431 1.00 1.00 H new ATOM 0 HG13 VAL A 15 9.328 0.876 12.362 1.00 1.00 H new ATOM 0 HG21 VAL A 15 8.496 3.819 12.300 1.00 1.00 H new ATOM 0 HG22 VAL A 15 9.737 3.110 11.239 1.00 1.00 H new ATOM 0 HG23 VAL A 15 8.369 4.004 10.534 1.00 1.00 H new ATOM 227 N ARG A 16 6.047 -0.078 9.860 1.00 1.00 N ATOM 228 CA ARG A 16 5.241 -1.320 9.783 1.00 1.00 C ATOM 229 C ARG A 16 5.673 -2.202 8.591 1.00 1.00 C ATOM 230 O ARG A 16 5.966 -3.371 8.798 1.00 1.00 O ATOM 231 CB ARG A 16 3.716 -1.015 9.801 1.00 1.00 C ATOM 232 CG ARG A 16 3.182 -0.355 11.103 1.00 1.00 C ATOM 233 CD ARG A 16 1.691 0.080 11.081 1.00 1.00 C ATOM 234 NE ARG A 16 0.729 -0.976 11.501 1.00 1.00 N ATOM 235 CZ ARG A 16 0.147 -1.196 12.664 1.00 1.00 C ATOM 236 NH1 ARG A 16 0.281 -0.463 13.708 1.00 1.00 N ATOM 237 NH2 ARG A 16 -0.649 -2.192 12.821 1.00 1.00 N ATOM 0 H ARG A 16 5.478 0.768 9.859 1.00 1.00 H new ATOM 0 HA ARG A 16 5.440 -1.906 10.680 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.484 -0.361 8.961 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.175 -1.947 9.638 1.00 1.00 H new ATOM 0 HG2 ARG A 16 3.324 -1.055 11.927 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.793 0.521 11.320 1.00 1.00 H new ATOM 0 HD2 ARG A 16 1.569 0.944 11.734 1.00 1.00 H new ATOM 0 HD3 ARG A 16 1.436 0.404 10.072 1.00 1.00 H new ATOM 0 HE ARG A 16 0.479 -1.639 10.768 1.00 1.00 H new ATOM 0 HH11 ARG A 16 0.876 0.365 13.677 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -0.208 -0.708 14.569 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.837 -2.823 12.042 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -1.093 -2.352 13.725 1.00 1.00 H new ATOM 251 N ALA A 17 5.901 -1.646 7.393 1.00 1.00 N ATOM 252 CA ALA A 17 6.434 -2.356 6.211 1.00 1.00 C ATOM 253 C ALA A 17 7.800 -3.065 6.443 1.00 1.00 C ATOM 254 O ALA A 17 7.926 -4.254 6.137 1.00 1.00 O ATOM 255 CB ALA A 17 6.500 -1.373 5.026 1.00 1.00 C ATOM 0 H ALA A 17 5.716 -0.660 7.209 1.00 1.00 H new ATOM 0 HA ALA A 17 5.745 -3.171 5.990 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.892 -1.887 4.148 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.500 -0.996 4.810 1.00 1.00 H new ATOM 0 HB3 ALA A 17 7.154 -0.539 5.281 1.00 1.00 H new ATOM 261 N LYS A 18 8.814 -2.359 6.985 1.00 1.00 N ATOM 262 CA LYS A 18 10.133 -2.915 7.386 1.00 1.00 C ATOM 263 C LYS A 18 10.026 -3.989 8.476 1.00 1.00 C ATOM 264 O LYS A 18 10.580 -5.079 8.332 1.00 1.00 O ATOM 265 CB LYS A 18 11.098 -1.775 7.789 1.00 1.00 C ATOM 266 CG LYS A 18 12.561 -2.224 8.077 1.00 1.00 C ATOM 267 CD LYS A 18 12.955 -2.236 9.572 1.00 1.00 C ATOM 268 CE LYS A 18 12.863 -3.615 10.250 1.00 1.00 C ATOM 269 NZ LYS A 18 12.785 -3.469 11.725 1.00 1.00 N ATOM 0 H LYS A 18 8.740 -1.357 7.163 1.00 1.00 H new ATOM 0 HA LYS A 18 10.547 -3.425 6.516 1.00 1.00 H new ATOM 0 HB2 LYS A 18 11.112 -1.032 6.992 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.703 -1.282 8.677 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.705 -3.225 7.670 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.241 -1.561 7.542 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.976 -1.867 9.668 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.312 -1.539 10.109 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.985 -4.148 9.885 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.733 -4.215 9.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.775 -4.410 12.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.610 -2.936 12.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.915 -2.959 11.978 1.00 1.00 H new ATOM 283 N ASP A 19 9.342 -3.681 9.574 1.00 1.00 N ATOM 284 CA ASP A 19 9.047 -4.593 10.689 1.00 1.00 C ATOM 285 C ASP A 19 8.270 -5.878 10.282 1.00 1.00 C ATOM 286 O ASP A 19 8.560 -6.950 10.808 1.00 1.00 O ATOM 287 CB ASP A 19 8.401 -3.775 11.822 1.00 1.00 C ATOM 288 CG ASP A 19 9.486 -3.029 12.645 1.00 1.00 C ATOM 289 OD1 ASP A 19 10.310 -2.251 12.090 1.00 1.00 O ATOM 290 OD2 ASP A 19 9.616 -3.287 13.861 1.00 1.00 O ATOM 0 H ASP A 19 8.958 -2.748 9.723 1.00 1.00 H new ATOM 0 HA ASP A 19 9.981 -5.016 11.058 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.697 -3.056 11.403 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.831 -4.436 12.476 1.00 1.00 H new ATOM 295 N LEU A 20 7.339 -5.803 9.321 1.00 1.00 N ATOM 296 CA LEU A 20 6.664 -6.947 8.670 1.00 1.00 C ATOM 297 C LEU A 20 7.629 -7.884 7.896 1.00 1.00 C ATOM 298 O LEU A 20 7.497 -9.106 7.985 1.00 1.00 O ATOM 299 CB LEU A 20 5.536 -6.443 7.735 1.00 1.00 C ATOM 300 CG LEU A 20 4.113 -6.404 8.337 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.999 -5.719 9.705 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.180 -5.713 7.327 1.00 1.00 C ATOM 0 H LEU A 20 7.018 -4.906 8.956 1.00 1.00 H new ATOM 0 HA LEU A 20 6.239 -7.548 9.474 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.793 -5.438 7.400 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.516 -7.079 6.850 1.00 1.00 H new ATOM 0 HG LEU A 20 3.827 -7.440 8.520 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.962 -5.744 10.039 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.626 -6.242 10.427 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.328 -4.683 9.622 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.169 -5.675 7.733 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.534 -4.699 7.139 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.175 -6.275 6.393 1.00 1.00 H new ATOM 314 N ALA A 21 8.588 -7.336 7.132 1.00 1.00 N ATOM 315 CA ALA A 21 9.694 -8.093 6.508 1.00 1.00 C ATOM 316 C ALA A 21 10.624 -8.769 7.556 1.00 1.00 C ATOM 317 O ALA A 21 11.007 -9.926 7.389 1.00 1.00 O ATOM 318 CB ALA A 21 10.458 -7.173 5.540 1.00 1.00 C ATOM 0 H ALA A 21 8.620 -6.338 6.925 1.00 1.00 H new ATOM 0 HA ALA A 21 9.270 -8.919 5.937 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.274 -7.728 5.078 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.779 -6.815 4.766 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.863 -6.323 6.089 1.00 1.00 H new ATOM 324 N GLU A 22 10.966 -8.072 8.649 1.00 1.00 N ATOM 325 CA GLU A 22 11.676 -8.625 9.826 1.00 1.00 C ATOM 326 C GLU A 22 10.902 -9.771 10.525 1.00 1.00 C ATOM 327 O GLU A 22 11.496 -10.809 10.810 1.00 1.00 O ATOM 328 CB GLU A 22 12.048 -7.482 10.786 1.00 1.00 C ATOM 329 CG GLU A 22 12.943 -7.927 11.958 1.00 1.00 C ATOM 330 CD GLU A 22 13.693 -6.719 12.525 1.00 1.00 C ATOM 331 OE1 GLU A 22 13.028 -5.800 13.064 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.920 -6.624 12.266 1.00 1.00 O ATOM 0 H GLU A 22 10.753 -7.079 8.748 1.00 1.00 H new ATOM 0 HA GLU A 22 12.595 -9.095 9.476 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.560 -6.700 10.225 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.134 -7.042 11.185 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.336 -8.388 12.737 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.653 -8.681 11.619 1.00 1.00 H new ATOM 339 N LYS A 23 9.582 -9.618 10.734 1.00 1.00 N ATOM 340 CA LYS A 23 8.594 -10.637 11.182 1.00 1.00 C ATOM 341 C LYS A 23 8.635 -11.891 10.285 1.00 1.00 C ATOM 342 O LYS A 23 8.911 -12.974 10.790 1.00 1.00 O ATOM 343 CB LYS A 23 7.207 -9.947 11.260 1.00 1.00 C ATOM 344 CG LYS A 23 5.930 -10.807 11.415 1.00 1.00 C ATOM 345 CD LYS A 23 4.664 -9.944 11.183 1.00 1.00 C ATOM 346 CE LYS A 23 3.368 -10.765 11.242 1.00 1.00 C ATOM 347 NZ LYS A 23 2.210 -10.050 10.641 1.00 1.00 N ATOM 0 H LYS A 23 9.136 -8.713 10.585 1.00 1.00 H new ATOM 0 HA LYS A 23 8.837 -11.015 12.175 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.236 -9.253 12.100 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.089 -9.349 10.356 1.00 1.00 H new ATOM 0 HG2 LYS A 23 5.951 -11.632 10.703 1.00 1.00 H new ATOM 0 HG3 LYS A 23 5.900 -11.247 12.412 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.624 -9.155 11.934 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.736 -9.455 10.211 1.00 1.00 H new ATOM 0 HE2 LYS A 23 3.517 -11.710 10.720 1.00 1.00 H new ATOM 0 HE3 LYS A 23 3.142 -11.006 12.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.361 -10.647 10.707 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 2.047 -9.160 11.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.411 -9.842 9.642 1.00 1.00 H new ATOM 361 N LEU A 24 8.462 -11.740 8.962 1.00 1.00 N ATOM 362 CA LEU A 24 8.635 -12.786 7.921 1.00 1.00 C ATOM 363 C LEU A 24 10.018 -13.494 7.978 1.00 1.00 C ATOM 364 O LEU A 24 10.080 -14.722 7.974 1.00 1.00 O ATOM 365 CB LEU A 24 8.385 -12.157 6.523 1.00 1.00 C ATOM 366 CG LEU A 24 6.893 -12.022 6.130 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.723 -11.070 4.938 1.00 1.00 C ATOM 368 CD2 LEU A 24 6.266 -13.372 5.752 1.00 1.00 C ATOM 0 H LEU A 24 8.184 -10.844 8.562 1.00 1.00 H new ATOM 0 HA LEU A 24 7.902 -13.569 8.116 1.00 1.00 H new ATOM 0 HB2 LEU A 24 8.844 -11.169 6.497 1.00 1.00 H new ATOM 0 HB3 LEU A 24 8.891 -12.763 5.771 1.00 1.00 H new ATOM 0 HG LEU A 24 6.385 -11.626 7.009 1.00 1.00 H new ATOM 0 HD11 LEU A 24 5.666 -10.993 4.682 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.105 -10.084 5.202 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.276 -11.456 4.082 1.00 1.00 H new ATOM 0 HD21 LEU A 24 5.220 -13.225 5.484 1.00 1.00 H new ATOM 0 HD22 LEU A 24 6.802 -13.797 4.903 1.00 1.00 H new ATOM 0 HD23 LEU A 24 6.331 -14.054 6.600 1.00 1.00 H new ATOM 380 N SER A 25 11.119 -12.730 8.066 1.00 1.00 N ATOM 381 CA SER A 25 12.507 -13.228 8.232 1.00 1.00 C ATOM 382 C SER A 25 12.762 -13.998 9.543 1.00 1.00 C ATOM 383 O SER A 25 13.435 -15.027 9.531 1.00 1.00 O ATOM 384 CB SER A 25 13.509 -12.073 8.111 1.00 1.00 C ATOM 385 OG SER A 25 14.815 -12.573 7.896 1.00 1.00 O ATOM 0 H SER A 25 11.073 -11.712 8.023 1.00 1.00 H new ATOM 0 HA SER A 25 12.650 -13.948 7.426 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.223 -11.420 7.287 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.489 -11.469 9.018 1.00 1.00 H new ATOM 0 HG SER A 25 14.904 -12.866 6.965 1.00 1.00 H new ATOM 391 N ASN A 26 12.216 -13.531 10.672 1.00 1.00 N ATOM 392 CA ASN A 26 12.182 -14.234 11.963 1.00 1.00 C ATOM 393 C ASN A 26 11.328 -15.529 11.905 1.00 1.00 C ATOM 394 O ASN A 26 11.681 -16.521 12.540 1.00 1.00 O ATOM 395 CB ASN A 26 11.700 -13.253 13.062 1.00 1.00 C ATOM 396 CG ASN A 26 12.086 -13.625 14.487 1.00 1.00 C ATOM 397 OD1 ASN A 26 12.257 -12.764 15.334 1.00 1.00 O ATOM 398 ND2 ASN A 26 12.248 -14.873 14.837 1.00 1.00 N ATOM 0 H ASN A 26 11.767 -12.616 10.714 1.00 1.00 H new ATOM 0 HA ASN A 26 13.190 -14.567 12.211 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.100 -12.263 12.842 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.614 -13.177 13.006 1.00 1.00 H new ATOM 0 HD21 ASN A 26 12.510 -15.104 15.795 1.00 1.00 H new ATOM 0 HD22 ASN A 26 12.112 -15.617 14.152 1.00 1.00 H new ATOM 405 N GLU A 27 10.177 -15.497 11.224 1.00 1.00 N ATOM 406 CA GLU A 27 9.194 -16.584 11.068 1.00 1.00 C ATOM 407 C GLU A 27 9.645 -17.753 10.151 1.00 1.00 C ATOM 408 O GLU A 27 9.184 -18.872 10.395 1.00 1.00 O ATOM 409 CB GLU A 27 7.860 -15.952 10.583 1.00 1.00 C ATOM 410 CG GLU A 27 6.748 -16.907 10.111 1.00 1.00 C ATOM 411 CD GLU A 27 5.509 -16.143 9.623 1.00 1.00 C ATOM 412 OE1 GLU A 27 4.704 -15.686 10.473 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.275 -16.077 8.392 1.00 1.00 O ATOM 0 H GLU A 27 9.884 -14.653 10.731 1.00 1.00 H new ATOM 0 HA GLU A 27 9.073 -17.062 12.040 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.460 -15.347 11.396 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.089 -15.272 9.763 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.127 -17.537 9.306 1.00 1.00 H new ATOM 0 HG3 GLU A 27 6.467 -17.570 10.929 1.00 1.00 H new ATOM 420 N ARG A 28 10.506 -17.542 9.132 1.00 1.00 N ATOM 421 CA ARG A 28 10.837 -18.545 8.072 1.00 1.00 C ATOM 422 C ARG A 28 12.342 -18.752 7.816 1.00 1.00 C ATOM 423 O ARG A 28 13.175 -17.889 8.092 1.00 1.00 O ATOM 424 CB ARG A 28 10.082 -18.216 6.752 1.00 1.00 C ATOM 425 CG ARG A 28 8.578 -17.958 6.976 1.00 1.00 C ATOM 426 CD ARG A 28 7.723 -17.798 5.713 1.00 1.00 C ATOM 427 NE ARG A 28 6.396 -17.254 6.071 1.00 1.00 N ATOM 428 CZ ARG A 28 5.334 -17.043 5.340 1.00 1.00 C ATOM 429 NH1 ARG A 28 5.142 -17.446 4.137 1.00 1.00 N ATOM 430 NH2 ARG A 28 4.361 -16.375 5.834 1.00 1.00 N ATOM 0 H ARG A 28 11.003 -16.659 9.012 1.00 1.00 H new ATOM 0 HA ARG A 28 10.491 -19.501 8.464 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.532 -17.338 6.290 1.00 1.00 H new ATOM 0 HB3 ARG A 28 10.205 -19.043 6.052 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.172 -18.783 7.562 1.00 1.00 H new ATOM 0 HG3 ARG A 28 8.471 -17.056 7.579 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.221 -17.132 5.008 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.609 -18.761 5.216 1.00 1.00 H new ATOM 0 HE ARG A 28 6.292 -17.001 7.054 1.00 1.00 H new ATOM 0 HH11 ARG A 28 5.862 -17.989 3.660 1.00 1.00 H new ATOM 0 HH12 ARG A 28 4.270 -17.223 3.658 1.00 1.00 H new ATOM 0 HH21 ARG A 28 4.421 -16.015 6.787 1.00 1.00 H new ATOM 0 HH22 ARG A 28 3.525 -16.202 5.275 1.00 1.00 H new ATOM 444 N ASP A 29 12.683 -19.881 7.202 1.00 1.00 N ATOM 445 CA ASP A 29 14.042 -20.324 6.821 1.00 1.00 C ATOM 446 C ASP A 29 14.626 -19.616 5.571 1.00 1.00 C ATOM 447 O ASP A 29 15.804 -19.274 5.535 1.00 1.00 O ATOM 448 CB ASP A 29 14.003 -21.856 6.577 1.00 1.00 C ATOM 449 CG ASP A 29 13.010 -22.361 5.500 1.00 1.00 C ATOM 450 OD1 ASP A 29 12.125 -21.600 5.052 1.00 1.00 O ATOM 451 OD2 ASP A 29 13.108 -23.545 5.094 1.00 1.00 O ATOM 0 H ASP A 29 11.976 -20.566 6.934 1.00 1.00 H new ATOM 0 HA ASP A 29 14.704 -20.054 7.644 1.00 1.00 H new ATOM 0 HB2 ASP A 29 15.005 -22.182 6.297 1.00 1.00 H new ATOM 0 HB3 ASP A 29 13.761 -22.345 7.520 1.00 1.00 H new ATOM 456 N ASP A 30 13.799 -19.400 4.549 1.00 1.00 N ATOM 457 CA ASP A 30 14.155 -18.921 3.200 1.00 1.00 C ATOM 458 C ASP A 30 14.248 -17.396 3.011 1.00 1.00 C ATOM 459 O ASP A 30 14.766 -16.941 1.988 1.00 1.00 O ATOM 460 CB ASP A 30 13.088 -19.466 2.238 1.00 1.00 C ATOM 461 CG ASP A 30 13.581 -19.511 0.789 1.00 1.00 C ATOM 462 OD1 ASP A 30 14.671 -20.066 0.521 1.00 1.00 O ATOM 463 OD2 ASP A 30 12.895 -18.952 -0.097 1.00 1.00 O ATOM 0 H ASP A 30 12.796 -19.563 4.640 1.00 1.00 H new ATOM 0 HA ASP A 30 15.166 -19.280 3.009 1.00 1.00 H new ATOM 0 HB2 ASP A 30 12.797 -20.468 2.552 1.00 1.00 H new ATOM 0 HB3 ASP A 30 12.196 -18.842 2.297 1.00 1.00 H new ATOM 468 N PHE A 31 13.724 -16.616 3.941 1.00 1.00 N ATOM 469 CA PHE A 31 13.507 -15.158 3.843 1.00 1.00 C ATOM 470 C PHE A 31 14.630 -14.294 4.474 1.00 1.00 C ATOM 471 O PHE A 31 14.603 -13.990 5.675 1.00 1.00 O ATOM 472 CB PHE A 31 12.084 -14.857 4.369 1.00 1.00 C ATOM 473 CG PHE A 31 11.496 -13.493 4.015 1.00 1.00 C ATOM 474 CD1 PHE A 31 11.965 -12.327 4.658 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.428 -13.386 3.089 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.364 -11.076 4.411 1.00 1.00 C ATOM 477 CE2 PHE A 31 9.821 -12.135 2.841 1.00 1.00 C ATOM 478 CZ PHE A 31 10.275 -10.986 3.525 1.00 1.00 C ATOM 0 H PHE A 31 13.417 -16.990 4.839 1.00 1.00 H new ATOM 0 HA PHE A 31 13.570 -14.856 2.798 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.411 -15.626 3.990 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.096 -14.951 5.455 1.00 1.00 H new ATOM 0 HD1 PHE A 31 12.794 -12.394 5.347 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.077 -14.266 2.570 1.00 1.00 H new ATOM 0 HE1 PHE A 31 11.739 -10.189 4.901 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.012 -12.057 2.130 1.00 1.00 H new ATOM 0 HZ PHE A 31 9.785 -10.036 3.368 1.00 1.00 H new ATOM 488 N GLN A 32 15.586 -13.804 3.664 1.00 1.00 N ATOM 489 CA GLN A 32 16.684 -12.889 4.070 1.00 1.00 C ATOM 490 C GLN A 32 16.273 -11.430 3.748 1.00 1.00 C ATOM 491 O GLN A 32 15.932 -11.116 2.605 1.00 1.00 O ATOM 492 CB GLN A 32 18.047 -13.158 3.353 1.00 1.00 C ATOM 493 CG GLN A 32 18.129 -14.152 2.174 1.00 1.00 C ATOM 494 CD GLN A 32 17.790 -15.616 2.417 1.00 1.00 C ATOM 495 OE1 GLN A 32 17.649 -16.392 1.484 1.00 1.00 O ATOM 496 NE2 GLN A 32 17.690 -16.101 3.633 1.00 1.00 N ATOM 0 H GLN A 32 15.622 -14.039 2.672 1.00 1.00 H new ATOM 0 HA GLN A 32 16.834 -13.063 5.135 1.00 1.00 H new ATOM 0 HB2 GLN A 32 18.415 -12.198 2.991 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.748 -13.502 4.113 1.00 1.00 H new ATOM 0 HG2 GLN A 32 17.466 -13.787 1.389 1.00 1.00 H new ATOM 0 HG3 GLN A 32 19.144 -14.111 1.779 1.00 1.00 H new ATOM 0 HE21 GLN A 32 17.801 -15.485 4.438 1.00 1.00 H new ATOM 0 HE22 GLN A 32 17.501 -17.094 3.772 1.00 1.00 H new ATOM 505 N TYR A 33 16.388 -10.523 4.729 1.00 1.00 N ATOM 506 CA TYR A 33 15.988 -9.103 4.627 1.00 1.00 C ATOM 507 C TYR A 33 17.160 -8.087 4.607 1.00 1.00 C ATOM 508 O TYR A 33 18.124 -8.219 5.379 1.00 1.00 O ATOM 509 CB TYR A 33 14.840 -8.743 5.606 1.00 1.00 C ATOM 510 CG TYR A 33 15.175 -7.872 6.816 1.00 1.00 C ATOM 511 CD1 TYR A 33 15.433 -6.490 6.635 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.180 -8.417 8.120 1.00 1.00 C ATOM 513 CE1 TYR A 33 15.689 -5.651 7.749 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.417 -7.579 9.236 1.00 1.00 C ATOM 515 CZ TYR A 33 15.664 -6.194 9.058 1.00 1.00 C ATOM 516 OH TYR A 33 15.853 -5.395 10.146 1.00 1.00 O ATOM 0 H TYR A 33 16.772 -10.759 5.644 1.00 1.00 H new ATOM 0 HA TYR A 33 15.571 -8.996 3.625 1.00 1.00 H new ATOM 0 HB2 TYR A 33 14.061 -8.237 5.036 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.411 -9.675 5.974 1.00 1.00 H new ATOM 0 HD1 TYR A 33 15.435 -6.072 5.639 1.00 1.00 H new ATOM 0 HD2 TYR A 33 15.003 -9.472 8.265 1.00 1.00 H new ATOM 0 HE1 TYR A 33 15.902 -4.603 7.601 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.410 -7.998 10.231 1.00 1.00 H new ATOM 0 HH TYR A 33 15.661 -5.903 10.962 1.00 1.00 H new ATOM 526 N GLN A 34 17.058 -7.060 3.760 1.00 1.00 N ATOM 527 CA GLN A 34 17.967 -5.909 3.602 1.00 1.00 C ATOM 528 C GLN A 34 17.169 -4.586 3.716 1.00 1.00 C ATOM 529 O GLN A 34 16.052 -4.473 3.203 1.00 1.00 O ATOM 530 CB GLN A 34 18.676 -5.964 2.219 1.00 1.00 C ATOM 531 CG GLN A 34 19.998 -5.172 2.146 1.00 1.00 C ATOM 532 CD GLN A 34 20.475 -4.954 0.704 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.851 -5.848 -0.036 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.494 -3.739 0.205 1.00 1.00 N ATOM 0 H GLN A 34 16.274 -7.002 3.110 1.00 1.00 H new ATOM 0 HA GLN A 34 18.718 -5.952 4.390 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.877 -7.006 1.969 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.995 -5.580 1.460 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.865 -4.205 2.631 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.768 -5.705 2.703 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.191 -2.949 0.775 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.811 -3.586 -0.752 1.00 1.00 H new ATOM 543 N TYR A 35 17.718 -3.559 4.373 1.00 1.00 N ATOM 544 CA TYR A 35 17.123 -2.225 4.592 1.00 1.00 C ATOM 545 C TYR A 35 18.071 -1.068 4.176 1.00 1.00 C ATOM 546 O TYR A 35 19.221 -1.004 4.613 1.00 1.00 O ATOM 547 CB TYR A 35 16.600 -2.086 6.044 1.00 1.00 C ATOM 548 CG TYR A 35 16.172 -0.665 6.395 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.297 0.041 5.532 1.00 1.00 C ATOM 550 CD2 TYR A 35 16.794 0.019 7.465 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.171 1.440 5.638 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.613 1.413 7.609 1.00 1.00 C ATOM 553 CZ TYR A 35 15.860 2.134 6.658 1.00 1.00 C ATOM 554 OH TYR A 35 15.862 3.490 6.695 1.00 1.00 O ATOM 0 H TYR A 35 18.644 -3.635 4.793 1.00 1.00 H new ATOM 0 HA TYR A 35 16.262 -2.138 3.929 1.00 1.00 H new ATOM 0 HB2 TYR A 35 15.754 -2.759 6.184 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.379 -2.405 6.736 1.00 1.00 H new ATOM 0 HD1 TYR A 35 14.725 -0.496 4.790 1.00 1.00 H new ATOM 0 HD2 TYR A 35 17.406 -0.523 8.171 1.00 1.00 H new ATOM 0 HE1 TYR A 35 14.549 1.981 4.941 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.053 1.929 8.450 1.00 1.00 H new ATOM 0 HH TYR A 35 16.777 3.812 6.834 1.00 1.00 H new ATOM 564 N VAL A 36 17.571 -0.175 3.303 1.00 1.00 N ATOM 565 CA VAL A 36 18.247 0.957 2.635 1.00 1.00 C ATOM 566 C VAL A 36 17.564 2.308 2.967 1.00 1.00 C ATOM 567 O VAL A 36 16.417 2.576 2.609 1.00 1.00 O ATOM 568 CB VAL A 36 18.338 0.737 1.101 1.00 1.00 C ATOM 569 CG1 VAL A 36 19.121 1.875 0.430 1.00 1.00 C ATOM 570 CG2 VAL A 36 19.023 -0.601 0.741 1.00 1.00 C ATOM 0 H VAL A 36 16.593 -0.231 3.020 1.00 1.00 H new ATOM 0 HA VAL A 36 19.264 1.000 3.025 1.00 1.00 H new ATOM 0 HB VAL A 36 17.311 0.717 0.736 1.00 1.00 H new ATOM 0 HG11 VAL A 36 19.171 1.698 -0.644 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.618 2.823 0.619 1.00 1.00 H new ATOM 0 HG13 VAL A 36 20.131 1.912 0.839 1.00 1.00 H new ATOM 0 HG21 VAL A 36 19.063 -0.709 -0.343 1.00 1.00 H new ATOM 0 HG22 VAL A 36 20.036 -0.611 1.144 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.454 -1.427 1.167 1.00 1.00 H new ATOM 580 N ASP A 37 18.286 3.181 3.670 1.00 1.00 N ATOM 581 CA ASP A 37 17.933 4.568 4.026 1.00 1.00 C ATOM 582 C ASP A 37 17.903 5.615 2.882 1.00 1.00 C ATOM 583 O ASP A 37 18.832 6.382 2.701 1.00 1.00 O ATOM 584 CB ASP A 37 18.681 5.059 5.294 1.00 1.00 C ATOM 585 CG ASP A 37 19.415 3.982 6.122 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.531 3.562 5.734 1.00 1.00 O ATOM 587 OD2 ASP A 37 18.810 3.507 7.111 1.00 1.00 O ATOM 0 H ASP A 37 19.203 2.924 4.036 1.00 1.00 H new ATOM 0 HA ASP A 37 16.874 4.491 4.270 1.00 1.00 H new ATOM 0 HB2 ASP A 37 19.409 5.811 4.991 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.961 5.557 5.944 1.00 1.00 H new ATOM 592 N ILE A 38 16.773 5.758 2.175 1.00 1.00 N ATOM 593 CA ILE A 38 16.532 6.797 1.128 1.00 1.00 C ATOM 594 C ILE A 38 16.715 8.239 1.661 1.00 1.00 C ATOM 595 O ILE A 38 17.290 9.078 0.973 1.00 1.00 O ATOM 596 CB ILE A 38 15.161 6.595 0.408 1.00 1.00 C ATOM 597 CG1 ILE A 38 13.922 6.777 1.325 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.152 5.219 -0.286 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.281 8.171 1.267 1.00 1.00 C ATOM 0 H ILE A 38 15.970 5.143 2.309 1.00 1.00 H new ATOM 0 HA ILE A 38 17.306 6.659 0.373 1.00 1.00 H new ATOM 0 HB ILE A 38 15.070 7.390 -0.332 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.172 6.035 1.051 1.00 1.00 H new ATOM 0 HG13 ILE A 38 14.215 6.569 2.354 1.00 1.00 H new ATOM 0 HG21 ILE A 38 14.197 5.072 -0.791 1.00 1.00 H new ATOM 0 HG22 ILE A 38 15.959 5.175 -1.017 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.293 4.435 0.458 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.424 8.205 1.939 1.00 1.00 H new ATOM 0 HD12 ILE A 38 14.011 8.920 1.572 1.00 1.00 H new ATOM 0 HD13 ILE A 38 12.952 8.378 0.249 1.00 1.00 H new ATOM 611 N ARG A 39 16.335 8.498 2.927 1.00 1.00 N ATOM 612 CA ARG A 39 16.557 9.754 3.699 1.00 1.00 C ATOM 613 C ARG A 39 17.993 9.937 4.262 1.00 1.00 C ATOM 614 O ARG A 39 18.251 10.889 4.997 1.00 1.00 O ATOM 615 CB ARG A 39 15.438 9.888 4.771 1.00 1.00 C ATOM 616 CG ARG A 39 15.196 11.361 5.153 1.00 1.00 C ATOM 617 CD ARG A 39 13.922 11.630 5.977 1.00 1.00 C ATOM 618 NE ARG A 39 13.488 13.018 5.741 1.00 1.00 N ATOM 619 CZ ARG A 39 12.558 13.758 6.278 1.00 1.00 C ATOM 620 NH1 ARG A 39 11.956 13.481 7.372 1.00 1.00 N ATOM 621 NH2 ARG A 39 12.211 14.843 5.698 1.00 1.00 N ATOM 0 H ARG A 39 15.835 7.801 3.478 1.00 1.00 H new ATOM 0 HA ARG A 39 16.484 10.588 3.001 1.00 1.00 H new ATOM 0 HB2 ARG A 39 14.514 9.453 4.390 1.00 1.00 H new ATOM 0 HB3 ARG A 39 15.714 9.321 5.660 1.00 1.00 H new ATOM 0 HG2 ARG A 39 16.056 11.718 5.719 1.00 1.00 H new ATOM 0 HG3 ARG A 39 15.148 11.953 4.239 1.00 1.00 H new ATOM 0 HD2 ARG A 39 13.133 10.934 5.691 1.00 1.00 H new ATOM 0 HD3 ARG A 39 14.118 11.471 7.037 1.00 1.00 H new ATOM 0 HE ARG A 39 14.020 13.495 5.013 1.00 1.00 H new ATOM 0 HH11 ARG A 39 12.195 12.632 7.885 1.00 1.00 H new ATOM 0 HH12 ARG A 39 11.237 14.109 7.732 1.00 1.00 H new ATOM 0 HH21 ARG A 39 12.660 15.121 4.825 1.00 1.00 H new ATOM 0 HH22 ARG A 39 11.485 15.431 6.108 1.00 1.00 H new ATOM 635 N ALA A 40 18.931 9.041 3.918 1.00 1.00 N ATOM 636 CA ALA A 40 20.384 9.175 4.169 1.00 1.00 C ATOM 637 C ALA A 40 21.219 9.005 2.872 1.00 1.00 C ATOM 638 O ALA A 40 22.053 9.861 2.562 1.00 1.00 O ATOM 639 CB ALA A 40 20.830 8.244 5.306 1.00 1.00 C ATOM 0 H ALA A 40 18.696 8.171 3.440 1.00 1.00 H new ATOM 0 HA ALA A 40 20.577 10.194 4.504 1.00 1.00 H new ATOM 0 HB1 ALA A 40 21.901 8.360 5.472 1.00 1.00 H new ATOM 0 HB2 ALA A 40 20.291 8.500 6.218 1.00 1.00 H new ATOM 0 HB3 ALA A 40 20.615 7.210 5.035 1.00 1.00 H new ATOM 645 N GLU A 41 20.932 7.964 2.079 1.00 1.00 N ATOM 646 CA GLU A 41 21.430 7.699 0.696 1.00 1.00 C ATOM 647 C GLU A 41 21.053 8.786 -0.366 1.00 1.00 C ATOM 648 O GLU A 41 21.677 8.859 -1.425 1.00 1.00 O ATOM 649 CB GLU A 41 20.946 6.286 0.251 1.00 1.00 C ATOM 650 CG GLU A 41 21.771 5.678 -0.906 1.00 1.00 C ATOM 651 CD GLU A 41 21.371 4.235 -1.270 1.00 1.00 C ATOM 652 OE1 GLU A 41 21.778 3.303 -0.544 1.00 1.00 O ATOM 653 OE2 GLU A 41 20.745 4.018 -2.340 1.00 1.00 O ATOM 0 H GLU A 41 20.303 7.226 2.396 1.00 1.00 H new ATOM 0 HA GLU A 41 22.518 7.742 0.743 1.00 1.00 H new ATOM 0 HB2 GLU A 41 20.987 5.612 1.107 1.00 1.00 H new ATOM 0 HB3 GLU A 41 19.902 6.350 -0.055 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.660 6.308 -1.788 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.826 5.694 -0.634 1.00 1.00 H new ATOM 660 N GLY A 42 20.080 9.671 -0.076 1.00 1.00 N ATOM 661 CA GLY A 42 19.706 10.882 -0.847 1.00 1.00 C ATOM 662 C GLY A 42 18.689 10.658 -1.978 1.00 1.00 C ATOM 663 O GLY A 42 18.945 11.021 -3.130 1.00 1.00 O ATOM 0 H GLY A 42 19.496 9.557 0.752 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.298 11.620 -0.156 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.611 11.313 -1.276 1.00 1.00 H new ATOM 667 N ILE A 43 17.539 10.038 -1.671 1.00 1.00 N ATOM 668 CA ILE A 43 16.507 9.521 -2.608 1.00 1.00 C ATOM 669 C ILE A 43 15.050 9.796 -2.138 1.00 1.00 C ATOM 670 O ILE A 43 14.774 10.077 -0.970 1.00 1.00 O ATOM 671 CB ILE A 43 16.760 7.995 -2.839 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.200 7.652 -3.314 1.00 1.00 C ATOM 673 CG2 ILE A 43 15.763 7.371 -3.846 1.00 1.00 C ATOM 674 CD1 ILE A 43 18.591 6.223 -2.947 1.00 1.00 C ATOM 0 H ILE A 43 17.280 9.869 -0.699 1.00 1.00 H new ATOM 0 HA ILE A 43 16.604 10.062 -3.549 1.00 1.00 H new ATOM 0 HB ILE A 43 16.612 7.564 -1.849 1.00 1.00 H new ATOM 0 HG12 ILE A 43 18.267 7.781 -4.394 1.00 1.00 H new ATOM 0 HG13 ILE A 43 18.907 8.349 -2.865 1.00 1.00 H new ATOM 0 HG21 ILE A 43 15.985 6.311 -3.968 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.746 7.488 -3.471 1.00 1.00 H new ATOM 0 HG23 ILE A 43 15.855 7.874 -4.808 1.00 1.00 H new ATOM 0 HD11 ILE A 43 19.604 6.022 -3.296 1.00 1.00 H new ATOM 0 HD12 ILE A 43 18.549 6.101 -1.865 1.00 1.00 H new ATOM 0 HD13 ILE A 43 17.900 5.524 -3.418 1.00 1.00 H new ATOM 686 N THR A 44 14.101 9.699 -3.081 1.00 1.00 N ATOM 687 CA THR A 44 12.661 10.037 -2.970 1.00 1.00 C ATOM 688 C THR A 44 11.748 9.259 -3.957 1.00 1.00 C ATOM 689 O THR A 44 12.238 8.641 -4.909 1.00 1.00 O ATOM 690 CB THR A 44 12.528 11.557 -3.194 1.00 1.00 C ATOM 691 OG1 THR A 44 11.212 11.965 -2.937 1.00 1.00 O ATOM 692 CG2 THR A 44 12.937 12.009 -4.601 1.00 1.00 C ATOM 0 H THR A 44 14.330 9.357 -4.014 1.00 1.00 H new ATOM 0 HA THR A 44 12.317 9.739 -1.979 1.00 1.00 H new ATOM 0 HB THR A 44 13.221 12.030 -2.498 1.00 1.00 H new ATOM 0 HG1 THR A 44 10.677 11.877 -3.753 1.00 1.00 H new ATOM 0 HG21 THR A 44 12.817 13.089 -4.685 1.00 1.00 H new ATOM 0 HG22 THR A 44 13.979 11.744 -4.780 1.00 1.00 H new ATOM 0 HG23 THR A 44 12.306 11.515 -5.340 1.00 1.00 H new ATOM 700 N LYS A 45 10.411 9.323 -3.790 1.00 1.00 N ATOM 701 CA LYS A 45 9.357 8.712 -4.653 1.00 1.00 C ATOM 702 C LYS A 45 9.461 9.021 -6.156 1.00 1.00 C ATOM 703 O LYS A 45 9.055 8.200 -6.979 1.00 1.00 O ATOM 704 CB LYS A 45 7.935 8.998 -4.100 1.00 1.00 C ATOM 705 CG LYS A 45 7.345 10.425 -4.233 1.00 1.00 C ATOM 706 CD LYS A 45 6.708 10.764 -5.608 1.00 1.00 C ATOM 707 CE LYS A 45 5.806 12.010 -5.569 1.00 1.00 C ATOM 708 NZ LYS A 45 4.530 11.759 -4.851 1.00 1.00 N ATOM 0 H LYS A 45 10.005 9.831 -3.004 1.00 1.00 H new ATOM 0 HA LYS A 45 9.549 7.641 -4.595 1.00 1.00 H new ATOM 0 HB2 LYS A 45 7.247 8.311 -4.593 1.00 1.00 H new ATOM 0 HB3 LYS A 45 7.937 8.741 -3.041 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.589 10.559 -3.460 1.00 1.00 H new ATOM 0 HG3 LYS A 45 8.137 11.146 -4.032 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.501 10.920 -6.339 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.123 9.911 -5.950 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.339 12.827 -5.083 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.590 12.332 -6.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 3.734 12.098 -5.428 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 4.423 10.739 -4.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 4.538 12.264 -3.942 1.00 1.00 H new ATOM 722 N GLU A 46 9.995 10.192 -6.506 1.00 1.00 N ATOM 723 CA GLU A 46 10.226 10.696 -7.873 1.00 1.00 C ATOM 724 C GLU A 46 11.331 9.872 -8.597 1.00 1.00 C ATOM 725 O GLU A 46 11.175 9.540 -9.770 1.00 1.00 O ATOM 726 CB GLU A 46 10.619 12.191 -7.800 1.00 1.00 C ATOM 727 CG GLU A 46 9.472 13.141 -7.368 1.00 1.00 C ATOM 728 CD GLU A 46 9.246 13.234 -5.843 1.00 1.00 C ATOM 729 OE1 GLU A 46 9.963 12.596 -5.042 1.00 1.00 O ATOM 730 OE2 GLU A 46 8.336 13.963 -5.397 1.00 1.00 O ATOM 0 H GLU A 46 10.300 10.862 -5.800 1.00 1.00 H new ATOM 0 HA GLU A 46 9.309 10.588 -8.451 1.00 1.00 H new ATOM 0 HB2 GLU A 46 11.447 12.301 -7.100 1.00 1.00 H new ATOM 0 HB3 GLU A 46 10.984 12.505 -8.778 1.00 1.00 H new ATOM 0 HG2 GLU A 46 9.683 14.139 -7.751 1.00 1.00 H new ATOM 0 HG3 GLU A 46 8.547 12.808 -7.838 1.00 1.00 H new ATOM 737 N ASP A 47 12.406 9.481 -7.887 1.00 1.00 N ATOM 738 CA ASP A 47 13.479 8.545 -8.300 1.00 1.00 C ATOM 739 C ASP A 47 12.996 7.070 -8.311 1.00 1.00 C ATOM 740 O ASP A 47 13.180 6.341 -9.288 1.00 1.00 O ATOM 741 CB ASP A 47 14.680 8.698 -7.326 1.00 1.00 C ATOM 742 CG ASP A 47 16.017 8.131 -7.842 1.00 1.00 C ATOM 743 OD1 ASP A 47 16.343 8.315 -9.036 1.00 1.00 O ATOM 744 OD2 ASP A 47 16.795 7.562 -7.034 1.00 1.00 O ATOM 0 H ASP A 47 12.562 9.833 -6.943 1.00 1.00 H new ATOM 0 HA ASP A 47 13.776 8.795 -9.318 1.00 1.00 H new ATOM 0 HB2 ASP A 47 14.814 9.756 -7.103 1.00 1.00 H new ATOM 0 HB3 ASP A 47 14.432 8.203 -6.387 1.00 1.00 H new ATOM 749 N LEU A 48 12.373 6.616 -7.208 1.00 1.00 N ATOM 750 CA LEU A 48 11.943 5.225 -6.964 1.00 1.00 C ATOM 751 C LEU A 48 10.978 4.687 -8.054 1.00 1.00 C ATOM 752 O LEU A 48 11.252 3.620 -8.603 1.00 1.00 O ATOM 753 CB LEU A 48 11.425 5.087 -5.504 1.00 1.00 C ATOM 754 CG LEU A 48 12.552 5.216 -4.437 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.040 5.579 -3.036 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.373 3.924 -4.314 1.00 1.00 C ATOM 0 H LEU A 48 12.145 7.234 -6.429 1.00 1.00 H new ATOM 0 HA LEU A 48 12.806 4.566 -7.057 1.00 1.00 H new ATOM 0 HB2 LEU A 48 10.670 5.851 -5.320 1.00 1.00 H new ATOM 0 HB3 LEU A 48 10.934 4.120 -5.389 1.00 1.00 H new ATOM 0 HG LEU A 48 13.173 6.034 -4.803 1.00 1.00 H new ATOM 0 HD11 LEU A 48 12.882 5.651 -2.348 1.00 1.00 H new ATOM 0 HD12 LEU A 48 11.521 6.537 -3.075 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.353 4.808 -2.689 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.148 4.056 -3.559 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.718 3.103 -4.022 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.836 3.694 -5.274 1.00 1.00 H new ATOM 768 N GLN A 49 9.934 5.436 -8.456 1.00 1.00 N ATOM 769 CA GLN A 49 9.056 5.113 -9.616 1.00 1.00 C ATOM 770 C GLN A 49 9.796 4.928 -10.972 1.00 1.00 C ATOM 771 O GLN A 49 9.309 4.209 -11.849 1.00 1.00 O ATOM 772 CB GLN A 49 7.943 6.178 -9.762 1.00 1.00 C ATOM 773 CG GLN A 49 8.423 7.564 -10.233 1.00 1.00 C ATOM 774 CD GLN A 49 7.328 8.627 -10.111 1.00 1.00 C ATOM 775 OE1 GLN A 49 6.637 8.980 -11.056 1.00 1.00 O ATOM 776 NE2 GLN A 49 7.094 9.155 -8.937 1.00 1.00 N ATOM 0 H GLN A 49 9.666 6.298 -7.982 1.00 1.00 H new ATOM 0 HA GLN A 49 8.628 4.138 -9.383 1.00 1.00 H new ATOM 0 HB2 GLN A 49 7.199 5.809 -10.468 1.00 1.00 H new ATOM 0 HB3 GLN A 49 7.442 6.291 -8.801 1.00 1.00 H new ATOM 0 HG2 GLN A 49 9.288 7.867 -9.643 1.00 1.00 H new ATOM 0 HG3 GLN A 49 8.751 7.500 -11.271 1.00 1.00 H new ATOM 0 HE21 GLN A 49 7.656 8.878 -8.132 1.00 1.00 H new ATOM 0 HE22 GLN A 49 6.350 9.844 -8.827 1.00 1.00 H new ATOM 785 N GLN A 50 10.954 5.584 -11.167 1.00 1.00 N ATOM 786 CA GLN A 50 11.802 5.507 -12.372 1.00 1.00 C ATOM 787 C GLN A 50 12.695 4.247 -12.364 1.00 1.00 C ATOM 788 O GLN A 50 12.558 3.407 -13.260 1.00 1.00 O ATOM 789 CB GLN A 50 12.626 6.802 -12.569 1.00 1.00 C ATOM 790 CG GLN A 50 11.767 8.055 -12.826 1.00 1.00 C ATOM 791 CD GLN A 50 12.620 9.318 -13.003 1.00 1.00 C ATOM 792 OE1 GLN A 50 13.194 9.579 -14.051 1.00 1.00 O ATOM 793 NE2 GLN A 50 12.745 10.166 -12.012 1.00 1.00 N ATOM 0 H GLN A 50 11.341 6.209 -10.460 1.00 1.00 H new ATOM 0 HA GLN A 50 11.138 5.416 -13.232 1.00 1.00 H new ATOM 0 HB2 GLN A 50 13.239 6.969 -11.683 1.00 1.00 H new ATOM 0 HB3 GLN A 50 13.308 6.663 -13.408 1.00 1.00 H new ATOM 0 HG2 GLN A 50 11.161 7.901 -13.718 1.00 1.00 H new ATOM 0 HG3 GLN A 50 11.078 8.198 -11.993 1.00 1.00 H new ATOM 0 HE21 GLN A 50 12.281 9.983 -11.122 1.00 1.00 H new ATOM 0 HE22 GLN A 50 13.306 11.009 -12.130 1.00 1.00 H new ATOM 802 N LYS A 51 13.554 4.073 -11.339 1.00 1.00 N ATOM 803 CA LYS A 51 14.439 2.885 -11.147 1.00 1.00 C ATOM 804 C LYS A 51 13.689 1.533 -11.074 1.00 1.00 C ATOM 805 O LYS A 51 14.188 0.525 -11.580 1.00 1.00 O ATOM 806 CB LYS A 51 15.360 3.076 -9.917 1.00 1.00 C ATOM 807 CG LYS A 51 16.279 4.315 -10.029 1.00 1.00 C ATOM 808 CD LYS A 51 17.344 4.475 -8.924 1.00 1.00 C ATOM 809 CE LYS A 51 16.784 4.332 -7.497 1.00 1.00 C ATOM 810 NZ LYS A 51 17.669 4.965 -6.490 1.00 1.00 N ATOM 0 H LYS A 51 13.661 4.766 -10.599 1.00 1.00 H new ATOM 0 HA LYS A 51 15.049 2.828 -12.049 1.00 1.00 H new ATOM 0 HB2 LYS A 51 14.745 3.168 -9.022 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.976 2.185 -9.791 1.00 1.00 H new ATOM 0 HG2 LYS A 51 16.788 4.278 -10.992 1.00 1.00 H new ATOM 0 HG3 LYS A 51 15.653 5.207 -10.033 1.00 1.00 H new ATOM 0 HD2 LYS A 51 18.125 3.730 -9.074 1.00 1.00 H new ATOM 0 HD3 LYS A 51 17.814 5.454 -9.024 1.00 1.00 H new ATOM 0 HE2 LYS A 51 15.795 4.787 -7.448 1.00 1.00 H new ATOM 0 HE3 LYS A 51 16.661 3.275 -7.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 17.437 4.599 -5.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 18.661 4.745 -6.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 17.531 5.996 -6.505 1.00 1.00 H new ATOM 824 N ALA A 52 12.483 1.528 -10.495 1.00 1.00 N ATOM 825 CA ALA A 52 11.563 0.389 -10.374 1.00 1.00 C ATOM 826 C ALA A 52 10.915 -0.139 -11.680 1.00 1.00 C ATOM 827 O ALA A 52 10.654 -1.337 -11.777 1.00 1.00 O ATOM 828 CB ALA A 52 10.439 0.833 -9.426 1.00 1.00 C ATOM 0 H ALA A 52 12.098 2.372 -10.071 1.00 1.00 H new ATOM 0 HA ALA A 52 12.167 -0.446 -10.019 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.725 0.019 -9.302 1.00 1.00 H new ATOM 0 HB2 ALA A 52 10.863 1.095 -8.457 1.00 1.00 H new ATOM 0 HB3 ALA A 52 9.930 1.701 -9.846 1.00 1.00 H new ATOM 834 N GLY A 53 10.608 0.736 -12.653 1.00 1.00 N ATOM 835 CA GLY A 53 9.788 0.416 -13.842 1.00 1.00 C ATOM 836 C GLY A 53 8.299 0.101 -13.539 1.00 1.00 C ATOM 837 O GLY A 53 7.609 -0.471 -14.385 1.00 1.00 O ATOM 0 H GLY A 53 10.927 1.705 -12.638 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.833 1.257 -14.534 1.00 1.00 H new ATOM 0 HA3 GLY A 53 10.230 -0.441 -14.351 1.00 1.00 H new ATOM 841 N LYS A 54 7.814 0.470 -12.338 1.00 1.00 N ATOM 842 CA LYS A 54 6.443 0.392 -11.781 1.00 1.00 C ATOM 843 C LYS A 54 6.034 1.797 -11.266 1.00 1.00 C ATOM 844 O LYS A 54 6.790 2.357 -10.463 1.00 1.00 O ATOM 845 CB LYS A 54 6.406 -0.662 -10.640 1.00 1.00 C ATOM 846 CG LYS A 54 5.021 -0.868 -9.972 1.00 1.00 C ATOM 847 CD LYS A 54 4.189 -2.035 -10.542 1.00 1.00 C ATOM 848 CE LYS A 54 4.616 -3.419 -10.005 1.00 1.00 C ATOM 849 NZ LYS A 54 3.909 -3.774 -8.747 1.00 1.00 N ATOM 0 H LYS A 54 8.447 0.879 -11.651 1.00 1.00 H new ATOM 0 HA LYS A 54 5.734 0.081 -12.548 1.00 1.00 H new ATOM 0 HB2 LYS A 54 6.744 -1.618 -11.040 1.00 1.00 H new ATOM 0 HB3 LYS A 54 7.121 -0.367 -9.872 1.00 1.00 H new ATOM 0 HG2 LYS A 54 5.170 -1.035 -8.905 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.445 0.052 -10.073 1.00 1.00 H new ATOM 0 HD2 LYS A 54 3.138 -1.871 -10.304 1.00 1.00 H new ATOM 0 HD3 LYS A 54 4.274 -2.034 -11.629 1.00 1.00 H new ATOM 0 HE2 LYS A 54 4.414 -4.178 -10.760 1.00 1.00 H new ATOM 0 HE3 LYS A 54 5.692 -3.423 -9.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 4.226 -4.710 -8.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 4.122 -3.064 -8.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 2.884 -3.797 -8.920 1.00 1.00 H new ATOM 863 N PRO A 55 4.881 2.377 -11.675 1.00 1.00 N ATOM 864 CA PRO A 55 4.430 3.688 -11.193 1.00 1.00 C ATOM 865 C PRO A 55 4.053 3.634 -9.695 1.00 1.00 C ATOM 866 O PRO A 55 3.296 2.761 -9.266 1.00 1.00 O ATOM 867 CB PRO A 55 3.245 4.068 -12.094 1.00 1.00 C ATOM 868 CG PRO A 55 2.655 2.716 -12.500 1.00 1.00 C ATOM 869 CD PRO A 55 3.880 1.802 -12.572 1.00 1.00 C ATOM 0 HA PRO A 55 5.214 4.442 -11.253 1.00 1.00 H new ATOM 0 HB2 PRO A 55 2.517 4.680 -11.562 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.569 4.641 -12.963 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.929 2.359 -11.769 1.00 1.00 H new ATOM 0 HG3 PRO A 55 2.140 2.774 -13.459 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.625 0.787 -12.268 1.00 1.00 H new ATOM 0 HD3 PRO A 55 4.261 1.744 -13.592 1.00 1.00 H new ATOM 877 N VAL A 56 4.565 4.584 -8.903 1.00 1.00 N ATOM 878 CA VAL A 56 4.262 4.784 -7.456 1.00 1.00 C ATOM 879 C VAL A 56 3.860 6.239 -7.139 1.00 1.00 C ATOM 880 O VAL A 56 4.105 7.139 -7.944 1.00 1.00 O ATOM 881 CB VAL A 56 5.421 4.314 -6.525 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.953 2.909 -6.879 1.00 1.00 C ATOM 883 CG2 VAL A 56 6.653 5.241 -6.434 1.00 1.00 C ATOM 0 H VAL A 56 5.232 5.271 -9.256 1.00 1.00 H new ATOM 0 HA VAL A 56 3.402 4.148 -7.246 1.00 1.00 H new ATOM 0 HB VAL A 56 4.918 4.325 -5.558 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.758 2.641 -6.194 1.00 1.00 H new ATOM 0 HG12 VAL A 56 5.146 2.182 -6.792 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.332 2.910 -7.901 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.387 4.805 -5.757 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.095 5.356 -7.423 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.347 6.217 -6.057 1.00 1.00 H new ATOM 893 N GLU A 57 3.301 6.494 -5.951 1.00 1.00 N ATOM 894 CA GLU A 57 3.031 7.855 -5.418 1.00 1.00 C ATOM 895 C GLU A 57 3.720 8.130 -4.062 1.00 1.00 C ATOM 896 O GLU A 57 4.376 9.157 -3.877 1.00 1.00 O ATOM 897 CB GLU A 57 1.499 8.123 -5.319 1.00 1.00 C ATOM 898 CG GLU A 57 1.003 9.286 -6.198 1.00 1.00 C ATOM 899 CD GLU A 57 1.784 10.583 -5.959 1.00 1.00 C ATOM 900 OE1 GLU A 57 1.808 11.105 -4.825 1.00 1.00 O ATOM 901 OE2 GLU A 57 2.484 11.057 -6.883 1.00 1.00 O ATOM 0 H GLU A 57 3.014 5.752 -5.312 1.00 1.00 H new ATOM 0 HA GLU A 57 3.468 8.551 -6.134 1.00 1.00 H new ATOM 0 HB2 GLU A 57 0.964 7.216 -5.600 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.245 8.334 -4.280 1.00 1.00 H new ATOM 0 HG2 GLU A 57 1.087 9.004 -7.248 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -0.054 9.461 -5.999 1.00 1.00 H new ATOM 908 N THR A 58 3.572 7.203 -3.114 1.00 1.00 N ATOM 909 CA THR A 58 3.959 7.272 -1.684 1.00 1.00 C ATOM 910 C THR A 58 4.658 5.980 -1.218 1.00 1.00 C ATOM 911 O THR A 58 5.089 5.152 -2.026 1.00 1.00 O ATOM 912 CB THR A 58 2.787 7.741 -0.771 1.00 1.00 C ATOM 913 OG1 THR A 58 1.490 7.372 -1.194 1.00 1.00 O ATOM 914 CG2 THR A 58 2.742 9.273 -0.704 1.00 1.00 C ATOM 0 H THR A 58 3.143 6.304 -3.335 1.00 1.00 H new ATOM 0 HA THR A 58 4.710 8.055 -1.582 1.00 1.00 H new ATOM 0 HB THR A 58 3.006 7.249 0.177 1.00 1.00 H new ATOM 0 HG1 THR A 58 1.217 6.550 -0.735 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.918 9.585 -0.062 1.00 1.00 H new ATOM 0 HG22 THR A 58 3.681 9.647 -0.296 1.00 1.00 H new ATOM 0 HG23 THR A 58 2.595 9.677 -1.706 1.00 1.00 H new ATOM 922 N VAL A 59 4.972 5.875 0.080 1.00 1.00 N ATOM 923 CA VAL A 59 5.475 4.620 0.713 1.00 1.00 C ATOM 924 C VAL A 59 4.314 3.654 1.038 1.00 1.00 C ATOM 925 O VAL A 59 3.178 4.113 1.151 1.00 1.00 O ATOM 926 CB VAL A 59 6.310 4.871 1.999 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.815 4.803 1.707 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.968 6.176 2.719 1.00 1.00 C ATOM 0 H VAL A 59 4.889 6.653 0.734 1.00 1.00 H new ATOM 0 HA VAL A 59 6.137 4.167 -0.025 1.00 1.00 H new ATOM 0 HB VAL A 59 6.037 4.065 2.680 1.00 1.00 H new ATOM 0 HG11 VAL A 59 8.372 4.983 2.626 1.00 1.00 H new ATOM 0 HG12 VAL A 59 8.066 3.816 1.317 1.00 1.00 H new ATOM 0 HG13 VAL A 59 8.077 5.562 0.970 1.00 1.00 H new ATOM 0 HG21 VAL A 59 6.594 6.277 3.606 1.00 1.00 H new ATOM 0 HG22 VAL A 59 6.147 7.018 2.051 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.919 6.164 3.015 1.00 1.00 H new ATOM 938 N PRO A 60 4.558 2.335 1.207 1.00 1.00 N ATOM 939 CA PRO A 60 5.869 1.652 1.260 1.00 1.00 C ATOM 940 C PRO A 60 6.590 1.516 -0.101 1.00 1.00 C ATOM 941 O PRO A 60 6.029 1.842 -1.141 1.00 1.00 O ATOM 942 CB PRO A 60 5.546 0.291 1.873 1.00 1.00 C ATOM 943 CG PRO A 60 4.161 -0.009 1.294 1.00 1.00 C ATOM 944 CD PRO A 60 3.483 1.350 1.259 1.00 1.00 C ATOM 0 HA PRO A 60 6.582 2.236 1.841 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.277 -0.466 1.590 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.532 0.329 2.962 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.230 -0.448 0.299 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.611 -0.715 1.916 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.831 1.438 0.390 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.860 1.498 2.141 1.00 1.00 H new ATOM 952 N GLN A 61 7.857 1.083 -0.073 1.00 1.00 N ATOM 953 CA GLN A 61 8.734 0.824 -1.229 1.00 1.00 C ATOM 954 C GLN A 61 9.678 -0.369 -0.933 1.00 1.00 C ATOM 955 O GLN A 61 10.800 -0.205 -0.447 1.00 1.00 O ATOM 956 CB GLN A 61 9.511 2.109 -1.621 1.00 1.00 C ATOM 957 CG GLN A 61 8.651 3.264 -2.186 1.00 1.00 C ATOM 958 CD GLN A 61 7.934 2.911 -3.490 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.520 2.391 -4.424 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.661 3.171 -3.650 1.00 1.00 N ATOM 0 H GLN A 61 8.329 0.891 0.811 1.00 1.00 H new ATOM 0 HA GLN A 61 8.123 0.546 -2.087 1.00 1.00 H new ATOM 0 HB2 GLN A 61 10.043 2.473 -0.742 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.264 1.844 -2.363 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.910 3.553 -1.440 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.289 4.132 -2.355 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.130 3.606 -2.895 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.200 2.939 -4.530 1.00 1.00 H new ATOM 969 N ILE A 62 9.196 -1.590 -1.178 1.00 1.00 N ATOM 970 CA ILE A 62 9.915 -2.880 -0.985 1.00 1.00 C ATOM 971 C ILE A 62 10.156 -3.653 -2.305 1.00 1.00 C ATOM 972 O ILE A 62 9.250 -3.870 -3.100 1.00 1.00 O ATOM 973 CB ILE A 62 9.188 -3.729 0.097 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.385 -3.057 1.486 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.695 -5.190 0.133 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.539 -3.604 2.641 1.00 1.00 C ATOM 0 H ILE A 62 8.250 -1.727 -1.534 1.00 1.00 H new ATOM 0 HA ILE A 62 10.918 -2.654 -0.623 1.00 1.00 H new ATOM 0 HB ILE A 62 8.129 -3.767 -0.157 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.436 -3.147 1.762 1.00 1.00 H new ATOM 0 HG13 ILE A 62 9.172 -1.993 1.383 1.00 1.00 H new ATOM 0 HG21 ILE A 62 9.158 -5.743 0.904 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.523 -5.659 -0.836 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.762 -5.200 0.357 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.769 -3.053 3.553 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.481 -3.489 2.404 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.764 -4.660 2.789 1.00 1.00 H new ATOM 988 N PHE A 63 11.381 -4.147 -2.508 1.00 1.00 N ATOM 989 CA PHE A 63 11.820 -4.973 -3.638 1.00 1.00 C ATOM 990 C PHE A 63 12.102 -6.423 -3.177 1.00 1.00 C ATOM 991 O PHE A 63 13.164 -6.717 -2.624 1.00 1.00 O ATOM 992 CB PHE A 63 13.053 -4.357 -4.343 1.00 1.00 C ATOM 993 CG PHE A 63 12.851 -3.084 -5.166 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.479 -1.874 -4.532 1.00 1.00 C ATOM 995 CD2 PHE A 63 13.179 -3.060 -6.545 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.465 -0.657 -5.248 1.00 1.00 C ATOM 997 CE2 PHE A 63 13.162 -1.844 -7.264 1.00 1.00 C ATOM 998 CZ PHE A 63 12.820 -0.639 -6.613 1.00 1.00 C ATOM 0 H PHE A 63 12.139 -3.971 -1.848 1.00 1.00 H new ATOM 0 HA PHE A 63 11.011 -5.002 -4.368 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.802 -4.145 -3.580 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.474 -5.116 -5.002 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.203 -1.882 -3.488 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.444 -3.978 -7.049 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.183 0.259 -4.751 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.411 -1.836 -8.315 1.00 1.00 H new ATOM 0 HZ PHE A 63 12.830 0.293 -7.158 1.00 1.00 H new ATOM 1008 N VAL A 64 11.137 -7.331 -3.358 1.00 1.00 N ATOM 1009 CA VAL A 64 11.306 -8.802 -3.173 1.00 1.00 C ATOM 1010 C VAL A 64 11.941 -9.396 -4.441 1.00 1.00 C ATOM 1011 O VAL A 64 11.675 -8.916 -5.536 1.00 1.00 O ATOM 1012 CB VAL A 64 9.969 -9.521 -2.865 1.00 1.00 C ATOM 1013 CG1 VAL A 64 10.178 -11.008 -2.513 1.00 1.00 C ATOM 1014 CG2 VAL A 64 9.222 -8.856 -1.693 1.00 1.00 C ATOM 0 H VAL A 64 10.192 -7.073 -3.643 1.00 1.00 H new ATOM 0 HA VAL A 64 11.954 -8.958 -2.310 1.00 1.00 H new ATOM 0 HB VAL A 64 9.376 -9.442 -3.776 1.00 1.00 H new ATOM 0 HG11 VAL A 64 9.214 -11.472 -2.305 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.652 -11.517 -3.352 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.816 -11.087 -1.633 1.00 1.00 H new ATOM 0 HG21 VAL A 64 8.289 -9.388 -1.507 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.844 -8.891 -0.799 1.00 1.00 H new ATOM 0 HG23 VAL A 64 9.003 -7.818 -1.943 1.00 1.00 H new ATOM 1024 N ASP A 65 12.818 -10.398 -4.318 1.00 1.00 N ATOM 1025 CA ASP A 65 13.592 -11.037 -5.410 1.00 1.00 C ATOM 1026 C ASP A 65 14.359 -10.074 -6.384 1.00 1.00 C ATOM 1027 O ASP A 65 14.827 -10.491 -7.450 1.00 1.00 O ATOM 1028 CB ASP A 65 12.689 -12.095 -6.100 1.00 1.00 C ATOM 1029 CG ASP A 65 11.455 -11.553 -6.859 1.00 1.00 C ATOM 1030 OD1 ASP A 65 11.591 -11.280 -8.074 1.00 1.00 O ATOM 1031 OD2 ASP A 65 10.335 -11.524 -6.289 1.00 1.00 O ATOM 0 H ASP A 65 13.024 -10.814 -3.410 1.00 1.00 H new ATOM 0 HA ASP A 65 14.445 -11.540 -4.954 1.00 1.00 H new ATOM 0 HB2 ASP A 65 13.301 -12.661 -6.802 1.00 1.00 H new ATOM 0 HB3 ASP A 65 12.343 -12.797 -5.341 1.00 1.00 H new ATOM 1036 N GLN A 66 14.559 -8.809 -5.980 1.00 1.00 N ATOM 1037 CA GLN A 66 15.049 -7.624 -6.727 1.00 1.00 C ATOM 1038 C GLN A 66 14.033 -7.021 -7.747 1.00 1.00 C ATOM 1039 O GLN A 66 14.381 -6.148 -8.551 1.00 1.00 O ATOM 1040 CB GLN A 66 16.479 -7.846 -7.286 1.00 1.00 C ATOM 1041 CG GLN A 66 17.340 -6.558 -7.339 1.00 1.00 C ATOM 1042 CD GLN A 66 17.810 -6.178 -8.738 1.00 1.00 C ATOM 1043 OE1 GLN A 66 18.956 -6.348 -9.120 1.00 1.00 O ATOM 1044 NE2 GLN A 66 16.962 -5.617 -9.557 1.00 1.00 N ATOM 0 H GLN A 66 14.360 -8.556 -5.012 1.00 1.00 H new ATOM 0 HA GLN A 66 15.134 -6.824 -5.992 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.988 -8.587 -6.670 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.405 -8.263 -8.290 1.00 1.00 H new ATOM 0 HG2 GLN A 66 16.763 -5.731 -6.925 1.00 1.00 H new ATOM 0 HG3 GLN A 66 18.212 -6.691 -6.698 1.00 1.00 H new ATOM 0 HE21 GLN A 66 15.997 -5.462 -9.265 1.00 1.00 H new ATOM 0 HE22 GLN A 66 17.264 -5.334 -10.489 1.00 1.00 H new ATOM 1053 N GLN A 67 12.767 -7.433 -7.696 1.00 1.00 N ATOM 1054 CA GLN A 67 11.582 -6.905 -8.390 1.00 1.00 C ATOM 1055 C GLN A 67 10.872 -5.844 -7.521 1.00 1.00 C ATOM 1056 O GLN A 67 10.710 -6.046 -6.312 1.00 1.00 O ATOM 1057 CB GLN A 67 10.633 -8.094 -8.692 1.00 1.00 C ATOM 1058 CG GLN A 67 9.149 -7.715 -8.906 1.00 1.00 C ATOM 1059 CD GLN A 67 8.217 -8.878 -9.238 1.00 1.00 C ATOM 1060 OE1 GLN A 67 7.264 -8.726 -9.991 1.00 1.00 O ATOM 1061 NE2 GLN A 67 8.381 -10.049 -8.675 1.00 1.00 N ATOM 0 H GLN A 67 12.515 -8.227 -7.108 1.00 1.00 H new ATOM 0 HA GLN A 67 11.877 -6.419 -9.320 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.992 -8.607 -9.584 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.694 -8.805 -7.868 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.783 -7.225 -8.004 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.091 -6.984 -9.712 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.166 -10.205 -8.043 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.724 -10.805 -8.869 1.00 1.00 H new ATOM 1070 N HIS A 68 10.355 -4.757 -8.111 1.00 1.00 N ATOM 1071 CA HIS A 68 9.543 -3.758 -7.378 1.00 1.00 C ATOM 1072 C HIS A 68 8.141 -4.272 -6.967 1.00 1.00 C ATOM 1073 O HIS A 68 7.204 -4.264 -7.776 1.00 1.00 O ATOM 1074 CB HIS A 68 9.426 -2.427 -8.149 1.00 1.00 C ATOM 1075 CG HIS A 68 8.596 -1.402 -7.387 1.00 1.00 C ATOM 1076 ND1 HIS A 68 7.223 -1.446 -7.204 1.00 1.00 N ATOM 1077 CD2 HIS A 68 9.075 -0.361 -6.642 1.00 1.00 C ATOM 1078 CE1 HIS A 68 6.878 -0.449 -6.368 1.00 1.00 C ATOM 1079 NE2 HIS A 68 7.992 0.226 -6.022 1.00 1.00 N ATOM 0 H HIS A 68 10.482 -4.541 -9.100 1.00 1.00 H new ATOM 0 HA HIS A 68 10.092 -3.576 -6.454 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.422 -2.024 -8.332 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.972 -2.610 -9.123 1.00 1.00 H new ATOM 0 HD2 HIS A 68 10.107 -0.056 -6.555 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.876 -0.227 -6.031 1.00 1.00 H new ATOM 0 HE2 HIS A 68 8.028 1.037 -5.404 1.00 1.00 H new ATOM 1088 N ILE A 69 7.973 -4.547 -5.679 1.00 1.00 N ATOM 1089 CA ILE A 69 6.702 -4.815 -4.971 1.00 1.00 C ATOM 1090 C ILE A 69 6.273 -3.496 -4.256 1.00 1.00 C ATOM 1091 O ILE A 69 7.032 -2.521 -4.189 1.00 1.00 O ATOM 1092 CB ILE A 69 6.879 -6.051 -4.025 1.00 1.00 C ATOM 1093 CG1 ILE A 69 7.467 -7.307 -4.738 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.590 -6.453 -3.279 1.00 1.00 C ATOM 1095 CD1 ILE A 69 6.707 -7.835 -5.967 1.00 1.00 C ATOM 0 H ILE A 69 8.771 -4.595 -5.046 1.00 1.00 H new ATOM 0 HA ILE A 69 5.893 -5.090 -5.648 1.00 1.00 H new ATOM 0 HB ILE A 69 7.605 -5.699 -3.292 1.00 1.00 H new ATOM 0 HG12 ILE A 69 8.487 -7.075 -5.045 1.00 1.00 H new ATOM 0 HG13 ILE A 69 7.529 -8.113 -4.007 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.791 -7.316 -2.644 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.251 -5.620 -2.663 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.815 -6.708 -4.002 1.00 1.00 H new ATOM 0 HD11 ILE A 69 7.222 -8.709 -6.365 1.00 1.00 H new ATOM 0 HD12 ILE A 69 5.694 -8.112 -5.677 1.00 1.00 H new ATOM 0 HD13 ILE A 69 6.666 -7.058 -6.731 1.00 1.00 H new ATOM 1107 N GLY A 70 5.051 -3.396 -3.731 1.00 1.00 N ATOM 1108 CA GLY A 70 4.627 -2.273 -2.871 1.00 1.00 C ATOM 1109 C GLY A 70 5.334 -2.258 -1.501 1.00 1.00 C ATOM 1110 O GLY A 70 6.164 -1.403 -1.189 1.00 1.00 O ATOM 0 H GLY A 70 4.320 -4.090 -3.886 1.00 1.00 H new ATOM 0 HA2 GLY A 70 4.827 -1.333 -3.386 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.549 -2.329 -2.716 1.00 1.00 H new ATOM 1114 N GLY A 71 4.992 -3.239 -0.664 1.00 1.00 N ATOM 1115 CA GLY A 71 5.322 -3.379 0.765 1.00 1.00 C ATOM 1116 C GLY A 71 4.048 -3.641 1.571 1.00 1.00 C ATOM 1117 O GLY A 71 3.201 -4.367 1.084 1.00 1.00 O ATOM 0 H GLY A 71 4.430 -4.025 -0.991 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.027 -4.199 0.906 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.810 -2.473 1.125 1.00 1.00 H new ATOM 1121 N TYR A 72 3.851 -3.027 2.742 1.00 1.00 N ATOM 1122 CA TYR A 72 2.684 -3.181 3.654 1.00 1.00 C ATOM 1123 C TYR A 72 1.317 -3.506 2.973 1.00 1.00 C ATOM 1124 O TYR A 72 0.710 -4.516 3.309 1.00 1.00 O ATOM 1125 CB TYR A 72 2.621 -1.880 4.486 1.00 1.00 C ATOM 1126 CG TYR A 72 1.553 -1.765 5.558 1.00 1.00 C ATOM 1127 CD1 TYR A 72 1.849 -2.199 6.869 1.00 1.00 C ATOM 1128 CD2 TYR A 72 0.314 -1.130 5.285 1.00 1.00 C ATOM 1129 CE1 TYR A 72 0.916 -2.001 7.905 1.00 1.00 C ATOM 1130 CE2 TYR A 72 -0.616 -0.919 6.332 1.00 1.00 C ATOM 1131 CZ TYR A 72 -0.309 -1.344 7.646 1.00 1.00 C ATOM 1132 OH TYR A 72 -1.176 -1.107 8.658 1.00 1.00 O ATOM 0 H TYR A 72 4.535 -2.367 3.112 1.00 1.00 H new ATOM 0 HA TYR A 72 2.843 -4.068 4.268 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.590 -1.744 4.966 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.489 -1.048 3.794 1.00 1.00 H new ATOM 0 HD1 TYR A 72 2.792 -2.683 7.077 1.00 1.00 H new ATOM 0 HD2 TYR A 72 0.081 -0.808 4.281 1.00 1.00 H new ATOM 0 HE1 TYR A 72 1.137 -2.353 8.902 1.00 1.00 H new ATOM 0 HE2 TYR A 72 -1.559 -0.434 6.127 1.00 1.00 H new ATOM 0 HH TYR A 72 -0.987 -1.718 9.401 1.00 1.00 H new ATOM 1142 N THR A 73 0.893 -2.711 1.977 1.00 1.00 N ATOM 1143 CA THR A 73 -0.265 -2.960 1.065 1.00 1.00 C ATOM 1144 C THR A 73 -0.241 -4.348 0.381 1.00 1.00 C ATOM 1145 O THR A 73 -1.101 -5.192 0.640 1.00 1.00 O ATOM 1146 CB THR A 73 -0.399 -1.817 0.013 1.00 1.00 C ATOM 1147 OG1 THR A 73 -1.151 -2.213 -1.105 1.00 1.00 O ATOM 1148 CG2 THR A 73 0.897 -1.185 -0.518 1.00 1.00 C ATOM 0 H THR A 73 1.363 -1.831 1.765 1.00 1.00 H new ATOM 0 HA THR A 73 -1.150 -2.963 1.702 1.00 1.00 H new ATOM 0 HB THR A 73 -0.899 -1.051 0.606 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.212 -1.468 -1.739 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.653 -0.406 -1.240 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.455 -0.749 0.311 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.504 -1.951 -1.001 1.00 1.00 H new ATOM 1156 N ASP A 74 0.777 -4.572 -0.454 1.00 1.00 N ATOM 1157 CA ASP A 74 1.083 -5.754 -1.280 1.00 1.00 C ATOM 1158 C ASP A 74 1.396 -6.990 -0.391 1.00 1.00 C ATOM 1159 O ASP A 74 0.735 -8.018 -0.481 1.00 1.00 O ATOM 1160 CB ASP A 74 2.318 -5.368 -2.132 1.00 1.00 C ATOM 1161 CG ASP A 74 2.035 -4.731 -3.499 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.180 -3.786 -3.553 1.00 1.00 O ATOM 1163 OD2 ASP A 74 2.789 -4.961 -4.445 1.00 1.00 O ATOM 0 H ASP A 74 1.488 -3.853 -0.586 1.00 1.00 H new ATOM 0 HA ASP A 74 0.234 -6.029 -1.905 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.929 -4.676 -1.553 1.00 1.00 H new ATOM 0 HB3 ASP A 74 2.917 -6.265 -2.291 1.00 1.00 H new ATOM 1168 N PHE A 75 2.391 -6.890 0.506 1.00 1.00 N ATOM 1169 CA PHE A 75 2.839 -7.902 1.486 1.00 1.00 C ATOM 1170 C PHE A 75 1.716 -8.522 2.341 1.00 1.00 C ATOM 1171 O PHE A 75 1.787 -9.708 2.672 1.00 1.00 O ATOM 1172 CB PHE A 75 3.981 -7.363 2.404 1.00 1.00 C ATOM 1173 CG PHE A 75 5.386 -7.941 2.216 1.00 1.00 C ATOM 1174 CD1 PHE A 75 5.618 -9.193 1.589 1.00 1.00 C ATOM 1175 CD2 PHE A 75 6.501 -7.192 2.667 1.00 1.00 C ATOM 1176 CE1 PHE A 75 6.929 -9.646 1.341 1.00 1.00 C ATOM 1177 CE2 PHE A 75 7.816 -7.654 2.438 1.00 1.00 C ATOM 1178 CZ PHE A 75 8.027 -8.866 1.747 1.00 1.00 C ATOM 0 H PHE A 75 2.947 -6.037 0.573 1.00 1.00 H new ATOM 0 HA PHE A 75 3.226 -8.712 0.867 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.042 -6.284 2.263 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.686 -7.533 3.439 1.00 1.00 H new ATOM 0 HD1 PHE A 75 4.778 -9.807 1.298 1.00 1.00 H new ATOM 0 HD2 PHE A 75 6.344 -6.260 3.190 1.00 1.00 H new ATOM 0 HE1 PHE A 75 7.090 -10.589 0.841 1.00 1.00 H new ATOM 0 HE2 PHE A 75 8.660 -7.080 2.792 1.00 1.00 H new ATOM 0 HZ PHE A 75 9.032 -9.195 1.530 1.00 1.00 H new ATOM 1188 N ALA A 76 0.695 -7.747 2.708 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.528 -8.241 3.346 1.00 1.00 C ATOM 1190 C ALA A 76 -1.351 -9.172 2.418 1.00 1.00 C ATOM 1191 O ALA A 76 -1.645 -10.305 2.815 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.325 -7.029 3.834 1.00 1.00 C ATOM 0 H ALA A 76 0.694 -6.737 2.568 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.270 -8.871 4.197 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -2.243 -7.367 4.315 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.727 -6.465 4.550 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.573 -6.391 2.986 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.668 -8.728 1.187 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.333 -9.527 0.139 1.00 1.00 C ATOM 1200 C ALA A 77 -1.514 -10.772 -0.302 1.00 1.00 C ATOM 1201 O ALA A 77 -2.040 -11.878 -0.286 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.649 -8.594 -1.047 1.00 1.00 C ATOM 0 H ALA A 77 -1.463 -7.776 0.885 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.255 -9.939 0.549 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -3.142 -9.162 -1.836 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -3.307 -7.791 -0.713 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.722 -8.168 -1.432 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.200 -10.640 -0.515 1.00 1.00 N ATOM 1209 CA TRP A 78 0.795 -11.701 -0.777 1.00 1.00 C ATOM 1210 C TRP A 78 0.791 -12.833 0.275 1.00 1.00 C ATOM 1211 O TRP A 78 0.796 -14.021 -0.072 1.00 1.00 O ATOM 1212 CB TRP A 78 2.186 -11.066 -0.936 1.00 1.00 C ATOM 1213 CG TRP A 78 3.263 -12.021 -1.353 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.430 -12.494 -2.610 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.286 -12.667 -0.535 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.487 -13.383 -2.631 1.00 1.00 N ATOM 1217 CE2 TRP A 78 5.031 -13.553 -1.377 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.645 -12.627 0.839 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 6.063 -14.372 -0.882 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.703 -13.420 1.343 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.407 -14.295 0.486 1.00 1.00 C ATOM 0 H TRP A 78 0.236 -9.718 -0.509 1.00 1.00 H new ATOM 0 HA TRP A 78 0.512 -12.193 -1.708 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.123 -10.265 -1.673 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.472 -10.607 0.010 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.830 -12.219 -3.465 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.823 -13.855 -3.471 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.101 -11.980 1.511 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.585 -15.051 -1.540 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 5.973 -13.356 2.387 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.208 -14.905 0.877 1.00 1.00 H new ATOM 1232 N VAL A 79 0.850 -12.481 1.573 1.00 1.00 N ATOM 1233 CA VAL A 79 0.655 -13.418 2.713 1.00 1.00 C ATOM 1234 C VAL A 79 -0.736 -14.080 2.689 1.00 1.00 C ATOM 1235 O VAL A 79 -0.805 -15.309 2.748 1.00 1.00 O ATOM 1236 CB VAL A 79 0.950 -12.766 4.088 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.548 -13.657 5.280 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.451 -12.474 4.245 1.00 1.00 C ATOM 0 H VAL A 79 1.037 -11.524 1.872 1.00 1.00 H new ATOM 0 HA VAL A 79 1.395 -14.207 2.579 1.00 1.00 H new ATOM 0 HB VAL A 79 0.356 -11.852 4.101 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.780 -13.143 6.213 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.521 -13.863 5.236 1.00 1.00 H new ATOM 0 HG13 VAL A 79 1.100 -14.596 5.235 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.633 -12.017 5.218 1.00 1.00 H new ATOM 0 HG22 VAL A 79 3.013 -13.405 4.171 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.773 -11.793 3.458 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.825 -13.300 2.573 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.236 -13.748 2.455 1.00 1.00 C ATOM 1250 C LYS A 80 -3.467 -14.760 1.307 1.00 1.00 C ATOM 1251 O LYS A 80 -3.928 -15.869 1.554 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.146 -12.499 2.397 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.643 -12.838 2.505 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.530 -11.693 3.022 1.00 1.00 C ATOM 1255 CE LYS A 80 -6.258 -11.297 4.487 1.00 1.00 C ATOM 1256 NZ LYS A 80 -6.451 -12.417 5.451 1.00 1.00 N ATOM 0 H LYS A 80 -1.747 -12.283 2.558 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.505 -14.324 3.340 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -3.874 -11.821 3.206 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -3.966 -11.969 1.462 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -6.004 -13.142 1.522 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.760 -13.696 3.167 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -6.383 -10.819 2.388 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -7.575 -11.985 2.924 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -5.236 -10.927 4.571 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -6.918 -10.474 4.761 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -6.236 -12.087 6.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -7.437 -12.745 5.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -5.815 -13.202 5.203 1.00 1.00 H new ATOM 1270 N GLU A 81 -3.022 -14.434 0.092 1.00 1.00 N ATOM 1271 CA GLU A 81 -2.930 -15.274 -1.131 1.00 1.00 C ATOM 1272 C GLU A 81 -2.100 -16.583 -0.966 1.00 1.00 C ATOM 1273 O GLU A 81 -2.139 -17.457 -1.840 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.372 -14.417 -2.303 1.00 1.00 C ATOM 1275 CG GLU A 81 -3.367 -13.362 -2.834 1.00 1.00 C ATOM 1276 CD GLU A 81 -2.756 -12.383 -3.864 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -1.841 -12.736 -4.649 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -3.203 -11.220 -3.904 1.00 1.00 O ATOM 0 H GLU A 81 -2.682 -13.490 -0.091 1.00 1.00 H new ATOM 0 HA GLU A 81 -3.944 -15.612 -1.345 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -1.465 -13.912 -1.971 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.088 -15.079 -3.121 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -4.213 -13.874 -3.292 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -3.758 -12.790 -1.992 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.331 -16.729 0.123 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.636 -17.945 0.577 1.00 1.00 C ATOM 1287 C ASN A 82 -1.284 -18.717 1.762 1.00 1.00 C ATOM 1288 O ASN A 82 -1.317 -19.948 1.737 1.00 1.00 O ATOM 1289 CB ASN A 82 0.847 -17.588 0.798 1.00 1.00 C ATOM 1290 CG ASN A 82 1.597 -17.623 -0.525 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.221 -18.617 -0.876 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.554 -16.579 -1.313 1.00 1.00 N ATOM 0 H ASN A 82 -1.166 -15.946 0.755 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.734 -18.689 -0.214 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.928 -16.597 1.244 1.00 1.00 H new ATOM 0 HB3 ASN A 82 1.298 -18.291 1.499 1.00 1.00 H new ATOM 0 HD21 ASN A 82 2.038 -16.598 -2.211 1.00 1.00 H new ATOM 0 HD22 ASN A 82 1.037 -15.747 -1.029 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.720 -18.021 2.820 1.00 1.00 N ATOM 1300 CA LEU A 83 -2.253 -18.589 4.080 1.00 1.00 C ATOM 1301 C LEU A 83 -3.795 -18.728 4.180 1.00 1.00 C ATOM 1302 O LEU A 83 -4.261 -19.670 4.822 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.696 -17.795 5.284 1.00 1.00 C ATOM 1304 CG LEU A 83 -0.159 -17.601 5.334 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.261 -17.036 6.699 1.00 1.00 C ATOM 1306 CD2 LEU A 83 0.642 -18.879 5.058 1.00 1.00 C ATOM 0 H LEU A 83 -1.714 -17.001 2.828 1.00 1.00 H new ATOM 0 HA LEU A 83 -1.903 -19.621 4.089 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -2.164 -16.811 5.289 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -2.006 -18.301 6.199 1.00 1.00 H new ATOM 0 HG LEU A 83 0.073 -16.900 4.532 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.343 -16.904 6.721 1.00 1.00 H new ATOM 0 HD12 LEU A 83 -0.225 -16.074 6.860 1.00 1.00 H new ATOM 0 HD13 LEU A 83 -0.036 -17.728 7.487 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.708 -18.659 5.111 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.390 -19.634 5.802 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.398 -19.254 4.064 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.569 -17.849 3.533 1.00 1.00 N ATOM 1319 CA ASP A 84 -6.052 -17.825 3.448 1.00 1.00 C ATOM 1320 C ASP A 84 -6.656 -18.224 2.060 1.00 1.00 C ATOM 1321 O ASP A 84 -7.876 -18.139 1.861 1.00 1.00 O ATOM 1322 CB ASP A 84 -6.530 -16.398 3.793 1.00 1.00 C ATOM 1323 CG ASP A 84 -6.134 -15.879 5.181 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -6.774 -16.303 6.172 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -5.300 -14.945 5.306 1.00 1.00 O ATOM 0 H ASP A 84 -4.155 -17.075 3.014 1.00 1.00 H new ATOM 0 HA ASP A 84 -6.403 -18.582 4.150 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.136 -15.712 3.043 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.617 -16.369 3.712 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.808 -18.598 1.092 1.00 1.00 N ATOM 1331 CA ALA A 85 -6.073 -19.052 -0.290 1.00 1.00 C ATOM 1332 C ALA A 85 -6.737 -20.444 -0.424 1.00 1.00 C ATOM 1333 O ALA A 85 -6.537 -21.324 0.446 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.718 -18.974 -1.021 1.00 1.00 C ATOM 1335 OXT ALA A 85 -7.361 -20.702 -1.475 1.00 1.00 O ATOM 0 H ALA A 85 -4.804 -18.591 1.275 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.826 -18.404 -0.738 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.843 -19.298 -2.054 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -4.354 -17.947 -1.004 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -3.998 -19.622 -0.522 1.00 1.00 H new TER 1341 ALA A 85 ATOM 1342 N GLY B 126 -16.094 21.447 9.421 1.00 1.00 N ATOM 1343 CA GLY B 126 -17.199 22.006 10.217 1.00 1.00 C ATOM 1344 C GLY B 126 -16.780 22.032 11.666 1.00 1.00 C ATOM 1345 O GLY B 126 -15.951 22.863 12.027 1.00 1.00 O ATOM 0 HA2 GLY B 126 -17.441 23.012 9.875 1.00 1.00 H new ATOM 0 HA3 GLY B 126 -18.098 21.402 10.093 1.00 1.00 H new ATOM 1351 N ALA B 127 -17.352 21.155 12.483 1.00 1.00 N ATOM 1352 CA ALA B 127 -16.912 20.874 13.850 1.00 1.00 C ATOM 1353 C ALA B 127 -16.962 19.341 14.043 1.00 1.00 C ATOM 1354 O ALA B 127 -18.038 18.752 14.137 1.00 1.00 O ATOM 1355 CB ALA B 127 -17.801 21.660 14.831 1.00 1.00 C ATOM 0 H ALA B 127 -18.162 20.600 12.206 1.00 1.00 H new ATOM 0 HA ALA B 127 -15.890 21.199 14.043 1.00 1.00 H new ATOM 0 HB1 ALA B 127 -17.482 21.458 15.853 1.00 1.00 H new ATOM 0 HB2 ALA B 127 -17.712 22.727 14.627 1.00 1.00 H new ATOM 0 HB3 ALA B 127 -18.839 21.352 14.708 1.00 1.00 H new ATOM 1361 N GLU B 128 -15.785 18.717 13.999 1.00 1.00 N ATOM 1362 CA GLU B 128 -15.561 17.261 14.034 1.00 1.00 C ATOM 1363 C GLU B 128 -14.330 16.801 14.856 1.00 1.00 C ATOM 1364 O GLU B 128 -13.412 17.588 15.093 1.00 1.00 O ATOM 1365 CB GLU B 128 -15.654 16.686 12.599 1.00 1.00 C ATOM 1366 CG GLU B 128 -14.769 17.334 11.513 1.00 1.00 C ATOM 1367 CD GLU B 128 -15.180 18.760 11.088 1.00 1.00 C ATOM 1368 OE1 GLU B 128 -16.322 19.008 10.636 1.00 1.00 O ATOM 1369 OE2 GLU B 128 -14.335 19.684 11.148 1.00 1.00 O ATOM 0 H GLU B 128 -14.910 19.237 13.934 1.00 1.00 H new ATOM 0 HA GLU B 128 -16.368 16.817 14.617 1.00 1.00 H new ATOM 0 HB2 GLU B 128 -15.407 15.625 12.645 1.00 1.00 H new ATOM 0 HB3 GLU B 128 -16.692 16.758 12.274 1.00 1.00 H new ATOM 0 HG2 GLU B 128 -13.741 17.363 11.875 1.00 1.00 H new ATOM 0 HG3 GLU B 128 -14.778 16.694 10.631 1.00 1.00 H new ATOM 1376 N ASP B 129 -14.266 15.515 15.214 1.00 1.00 N ATOM 1377 CA ASP B 129 -13.208 14.868 16.022 1.00 1.00 C ATOM 1378 C ASP B 129 -12.833 13.462 15.488 1.00 1.00 C ATOM 1379 O ASP B 129 -13.551 12.487 15.717 1.00 1.00 O ATOM 1380 CB ASP B 129 -13.656 14.798 17.501 1.00 1.00 C ATOM 1381 CG ASP B 129 -13.812 16.191 18.135 1.00 1.00 C ATOM 1382 OD1 ASP B 129 -12.755 16.759 18.513 1.00 1.00 O ATOM 1383 OD2 ASP B 129 -14.955 16.676 18.269 1.00 1.00 O ATOM 0 H ASP B 129 -14.990 14.852 14.935 1.00 1.00 H new ATOM 0 HA ASP B 129 -12.307 15.477 15.944 1.00 1.00 H new ATOM 0 HB2 ASP B 129 -14.604 14.265 17.565 1.00 1.00 H new ATOM 0 HB3 ASP B 129 -12.927 14.222 18.071 1.00 1.00 H new ATOM 1388 N ALA B 130 -11.707 13.328 14.772 1.00 1.00 N ATOM 1389 CA ALA B 130 -11.210 12.092 14.135 1.00 1.00 C ATOM 1390 C ALA B 130 -10.139 11.364 14.999 1.00 1.00 C ATOM 1391 O ALA B 130 -8.947 11.681 14.929 1.00 1.00 O ATOM 1392 CB ALA B 130 -10.696 12.447 12.726 1.00 1.00 C ATOM 0 H ALA B 130 -11.083 14.119 14.611 1.00 1.00 H new ATOM 0 HA ALA B 130 -12.027 11.376 14.049 1.00 1.00 H new ATOM 0 HB1 ALA B 130 -10.324 11.547 12.237 1.00 1.00 H new ATOM 0 HB2 ALA B 130 -11.510 12.869 12.137 1.00 1.00 H new ATOM 0 HB3 ALA B 130 -9.890 13.176 12.806 1.00 1.00 H new ATOM 1398 N GLN B 131 -10.580 10.423 15.853 1.00 1.00 N ATOM 1399 CA GLN B 131 -9.723 9.504 16.651 1.00 1.00 C ATOM 1400 C GLN B 131 -10.117 8.008 16.548 1.00 1.00 C ATOM 1401 O GLN B 131 -11.312 7.689 16.516 1.00 1.00 O ATOM 1402 CB GLN B 131 -9.608 10.023 18.104 1.00 1.00 C ATOM 1403 CG GLN B 131 -10.809 9.761 19.050 1.00 1.00 C ATOM 1404 CD GLN B 131 -10.888 8.359 19.662 1.00 1.00 C ATOM 1405 OE1 GLN B 131 -11.941 7.801 19.928 1.00 1.00 O ATOM 1406 NE2 GLN B 131 -9.802 7.724 20.003 1.00 1.00 N ATOM 0 H GLN B 131 -11.575 10.270 16.018 1.00 1.00 H new ATOM 0 HA GLN B 131 -8.727 9.520 16.207 1.00 1.00 H new ATOM 0 HB2 GLN B 131 -8.721 9.576 18.553 1.00 1.00 H new ATOM 0 HB3 GLN B 131 -9.437 11.099 18.065 1.00 1.00 H new ATOM 0 HG2 GLN B 131 -10.773 10.488 19.861 1.00 1.00 H new ATOM 0 HG3 GLN B 131 -11.729 9.947 18.496 1.00 1.00 H new ATOM 0 HE21 GLN B 131 -8.889 8.135 19.809 1.00 1.00 H new ATOM 0 HE22 GLN B 131 -9.865 6.816 20.463 1.00 1.00 H new ATOM 1415 N ASP B 132 -9.143 7.088 16.519 1.00 1.00 N ATOM 1416 CA ASP B 132 -9.292 5.611 16.584 1.00 1.00 C ATOM 1417 C ASP B 132 -8.419 5.001 17.715 1.00 1.00 C ATOM 1418 O ASP B 132 -7.205 4.840 17.577 1.00 1.00 O ATOM 1419 CB ASP B 132 -9.011 4.957 15.210 1.00 1.00 C ATOM 1420 CG ASP B 132 -7.557 5.082 14.726 1.00 1.00 C ATOM 1421 OD1 ASP B 132 -7.030 6.220 14.710 1.00 1.00 O ATOM 1422 OD2 ASP B 132 -6.955 4.062 14.309 1.00 1.00 O ATOM 0 H ASP B 132 -8.164 7.364 16.445 1.00 1.00 H new ATOM 0 HA ASP B 132 -10.330 5.391 16.834 1.00 1.00 H new ATOM 0 HB2 ASP B 132 -9.272 3.900 15.265 1.00 1.00 H new ATOM 0 HB3 ASP B 132 -9.668 5.409 14.466 1.00 1.00 H new ATOM 1427 N ASP B 133 -9.023 4.659 18.858 1.00 1.00 N ATOM 1428 CA ASP B 133 -8.298 4.107 20.016 1.00 1.00 C ATOM 1429 C ASP B 133 -8.202 2.558 19.978 1.00 1.00 C ATOM 1430 O ASP B 133 -9.183 1.848 20.252 1.00 1.00 O ATOM 1431 CB ASP B 133 -8.932 4.661 21.301 1.00 1.00 C ATOM 1432 CG ASP B 133 -8.334 4.101 22.593 1.00 1.00 C ATOM 1433 OD1 ASP B 133 -7.100 3.925 22.673 1.00 1.00 O ATOM 1434 OD2 ASP B 133 -9.100 3.920 23.567 1.00 1.00 O ATOM 0 H ASP B 133 -10.027 4.755 19.010 1.00 1.00 H new ATOM 0 HA ASP B 133 -7.258 4.431 19.984 1.00 1.00 H new ATOM 0 HB2 ASP B 133 -8.825 5.746 21.306 1.00 1.00 H new ATOM 0 HB3 ASP B 133 -10.000 4.446 21.286 1.00 1.00 H new ATOM 1439 N LEU B 134 -7.007 2.040 19.668 1.00 1.00 N ATOM 1440 CA LEU B 134 -6.621 0.619 19.733 1.00 1.00 C ATOM 1441 C LEU B 134 -5.108 0.390 20.008 1.00 1.00 C ATOM 1442 O LEU B 134 -4.260 0.457 19.114 1.00 1.00 O ATOM 1443 CB LEU B 134 -7.188 -0.172 18.519 1.00 1.00 C ATOM 1444 CG LEU B 134 -6.594 0.019 17.101 1.00 1.00 C ATOM 1445 CD1 LEU B 134 -7.287 -0.948 16.126 1.00 1.00 C ATOM 1446 CD2 LEU B 134 -6.755 1.440 16.558 1.00 1.00 C ATOM 0 H LEU B 134 -6.240 2.630 19.347 1.00 1.00 H new ATOM 0 HA LEU B 134 -7.096 0.197 20.619 1.00 1.00 H new ATOM 0 HB2 LEU B 134 -7.106 -1.232 18.761 1.00 1.00 H new ATOM 0 HB3 LEU B 134 -8.251 0.059 18.455 1.00 1.00 H new ATOM 0 HG LEU B 134 -5.526 -0.182 17.185 1.00 1.00 H new ATOM 0 HD11 LEU B 134 -6.872 -0.817 15.127 1.00 1.00 H new ATOM 0 HD12 LEU B 134 -7.124 -1.975 16.455 1.00 1.00 H new ATOM 0 HD13 LEU B 134 -8.357 -0.739 16.105 1.00 1.00 H new ATOM 0 HD21 LEU B 134 -6.317 1.501 15.562 1.00 1.00 H new ATOM 0 HD22 LEU B 134 -7.814 1.691 16.504 1.00 1.00 H new ATOM 0 HD23 LEU B 134 -6.249 2.142 17.221 1.00 1.00 H new ATOM 1458 N VAL B 135 -4.769 0.105 21.279 1.00 1.00 N ATOM 1459 CA VAL B 135 -3.427 -0.364 21.724 1.00 1.00 C ATOM 1460 C VAL B 135 -3.015 -1.653 20.958 1.00 1.00 C ATOM 1461 O VAL B 135 -1.932 -1.665 20.366 1.00 1.00 O ATOM 1462 CB VAL B 135 -3.332 -0.504 23.266 1.00 1.00 C ATOM 1463 CG1 VAL B 135 -2.001 -1.131 23.723 1.00 1.00 C ATOM 1464 CG2 VAL B 135 -3.478 0.864 23.955 1.00 1.00 C ATOM 0 H VAL B 135 -5.431 0.194 22.050 1.00 1.00 H new ATOM 0 HA VAL B 135 -2.697 0.404 21.467 1.00 1.00 H new ATOM 0 HB VAL B 135 -4.149 -1.165 23.554 1.00 1.00 H new ATOM 0 HG11 VAL B 135 -1.988 -1.205 24.810 1.00 1.00 H new ATOM 0 HG12 VAL B 135 -1.900 -2.126 23.290 1.00 1.00 H new ATOM 0 HG13 VAL B 135 -1.172 -0.506 23.392 1.00 1.00 H new ATOM 0 HG21 VAL B 135 -3.408 0.737 25.035 1.00 1.00 H new ATOM 0 HG22 VAL B 135 -2.684 1.529 23.615 1.00 1.00 H new ATOM 0 HG23 VAL B 135 -4.446 1.297 23.703 1.00 1.00 H new ATOM 1474 N PRO B 136 -3.833 -2.736 20.913 1.00 1.00 N ATOM 1475 CA PRO B 136 -3.615 -3.878 20.017 1.00 1.00 C ATOM 1476 C PRO B 136 -4.130 -3.524 18.594 1.00 1.00 C ATOM 1477 O PRO B 136 -5.310 -3.719 18.279 1.00 1.00 O ATOM 1478 CB PRO B 136 -4.351 -5.050 20.680 1.00 1.00 C ATOM 1479 CG PRO B 136 -5.547 -4.376 21.353 1.00 1.00 C ATOM 1480 CD PRO B 136 -4.978 -3.022 21.785 1.00 1.00 C ATOM 0 HA PRO B 136 -2.567 -4.142 19.878 1.00 1.00 H new ATOM 0 HB2 PRO B 136 -4.667 -5.793 19.948 1.00 1.00 H new ATOM 0 HB3 PRO B 136 -3.719 -5.565 21.404 1.00 1.00 H new ATOM 0 HG2 PRO B 136 -6.385 -4.261 20.666 1.00 1.00 H new ATOM 0 HG3 PRO B 136 -5.909 -4.952 22.204 1.00 1.00 H new ATOM 0 HD2 PRO B 136 -5.733 -2.241 21.697 1.00 1.00 H new ATOM 0 HD3 PRO B 136 -4.669 -3.050 22.830 1.00 1.00 H new ATOM 1488 N SER B 137 -3.251 -2.999 17.719 1.00 1.00 N ATOM 1489 CA SER B 137 -3.642 -2.551 16.361 1.00 1.00 C ATOM 1490 C SER B 137 -3.530 -3.696 15.326 1.00 1.00 C ATOM 1491 O SER B 137 -2.451 -4.070 14.875 1.00 1.00 O ATOM 1492 CB SER B 137 -2.851 -1.296 15.933 1.00 1.00 C ATOM 1493 OG SER B 137 -1.476 -1.531 15.665 1.00 1.00 O ATOM 0 H SER B 137 -2.260 -2.873 17.926 1.00 1.00 H new ATOM 0 HA SER B 137 -4.694 -2.267 16.398 1.00 1.00 H new ATOM 0 HB2 SER B 137 -3.316 -0.876 15.041 1.00 1.00 H new ATOM 0 HB3 SER B 137 -2.932 -0.545 16.719 1.00 1.00 H new ATOM 0 HG SER B 137 -0.928 -0.986 16.267 1.00 1.00 H new ATOM 1499 N ILE B 138 -4.699 -4.225 14.927 1.00 1.00 N ATOM 1500 CA ILE B 138 -4.879 -5.343 13.968 1.00 1.00 C ATOM 1501 C ILE B 138 -5.815 -4.891 12.818 1.00 1.00 C ATOM 1502 O ILE B 138 -7.038 -5.033 12.862 1.00 1.00 O ATOM 1503 CB ILE B 138 -5.319 -6.685 14.639 1.00 1.00 C ATOM 1504 CG1 ILE B 138 -4.302 -7.266 15.669 1.00 1.00 C ATOM 1505 CG2 ILE B 138 -5.528 -7.788 13.571 1.00 1.00 C ATOM 1506 CD1 ILE B 138 -4.288 -6.598 17.048 1.00 1.00 C ATOM 0 H ILE B 138 -5.590 -3.873 15.277 1.00 1.00 H new ATOM 0 HA ILE B 138 -3.904 -5.581 13.542 1.00 1.00 H new ATOM 0 HB ILE B 138 -6.237 -6.425 15.166 1.00 1.00 H new ATOM 0 HG12 ILE B 138 -4.516 -8.326 15.803 1.00 1.00 H new ATOM 0 HG13 ILE B 138 -3.302 -7.194 15.242 1.00 1.00 H new ATOM 0 HG21 ILE B 138 -5.834 -8.714 14.059 1.00 1.00 H new ATOM 0 HG22 ILE B 138 -6.302 -7.474 12.870 1.00 1.00 H new ATOM 0 HG23 ILE B 138 -4.596 -7.953 13.031 1.00 1.00 H new ATOM 0 HD11 ILE B 138 -3.544 -7.083 17.680 1.00 1.00 H new ATOM 0 HD12 ILE B 138 -4.038 -5.543 16.939 1.00 1.00 H new ATOM 0 HD13 ILE B 138 -5.272 -6.692 17.508 1.00 1.00 H new ATOM 1518 N GLN B 139 -5.203 -4.266 11.818 1.00 1.00 N ATOM 1519 CA GLN B 139 -5.733 -3.904 10.489 1.00 1.00 C ATOM 1520 C GLN B 139 -4.559 -3.422 9.616 1.00 1.00 C ATOM 1521 O GLN B 139 -4.098 -2.283 9.739 1.00 1.00 O ATOM 1522 CB GLN B 139 -6.941 -2.928 10.501 1.00 1.00 C ATOM 1523 CG GLN B 139 -6.807 -1.580 11.246 1.00 1.00 C ATOM 1524 CD GLN B 139 -7.965 -0.633 10.901 1.00 1.00 C ATOM 1525 OE1 GLN B 139 -8.081 -0.142 9.782 1.00 1.00 O ATOM 1526 NE2 GLN B 139 -8.890 -0.369 11.789 1.00 1.00 N ATOM 0 H GLN B 139 -4.232 -3.968 11.917 1.00 1.00 H new ATOM 0 HA GLN B 139 -6.174 -4.799 10.050 1.00 1.00 H new ATOM 0 HB2 GLN B 139 -7.196 -2.707 9.465 1.00 1.00 H new ATOM 0 HB3 GLN B 139 -7.789 -3.459 10.932 1.00 1.00 H new ATOM 0 HG2 GLN B 139 -6.788 -1.757 12.321 1.00 1.00 H new ATOM 0 HG3 GLN B 139 -5.859 -1.110 10.983 1.00 1.00 H new ATOM 0 HE21 GLN B 139 -8.823 -0.762 12.728 1.00 1.00 H new ATOM 0 HE22 GLN B 139 -9.678 0.229 11.542 1.00 1.00 H new ATOM 1535 N ASP B 140 -4.025 -4.315 8.784 1.00 1.00 N ATOM 1536 CA ASP B 140 -2.858 -4.066 7.924 1.00 1.00 C ATOM 1537 C ASP B 140 -3.118 -4.637 6.510 1.00 1.00 C ATOM 1538 O ASP B 140 -2.858 -5.817 6.270 1.00 1.00 O ATOM 1539 CB ASP B 140 -1.603 -4.696 8.597 1.00 1.00 C ATOM 1540 CG ASP B 140 -1.318 -4.243 10.045 1.00 1.00 C ATOM 1541 OD1 ASP B 140 -0.699 -3.166 10.239 1.00 1.00 O ATOM 1542 OD2 ASP B 140 -1.622 -4.980 11.014 1.00 1.00 O ATOM 0 H ASP B 140 -4.399 -5.259 8.683 1.00 1.00 H new ATOM 0 HA ASP B 140 -2.682 -2.997 7.807 1.00 1.00 H new ATOM 0 HB2 ASP B 140 -1.717 -5.780 8.591 1.00 1.00 H new ATOM 0 HB3 ASP B 140 -0.731 -4.464 7.985 1.00 1.00 H new ATOM 1547 N ASP B 141 -3.607 -3.810 5.571 1.00 1.00 N ATOM 1548 CA ASP B 141 -4.048 -4.232 4.212 1.00 1.00 C ATOM 1549 C ASP B 141 -4.188 -3.093 3.156 1.00 1.00 C ATOM 1550 O ASP B 141 -4.712 -2.011 3.437 1.00 1.00 O ATOM 1551 CB ASP B 141 -5.438 -4.918 4.320 1.00 1.00 C ATOM 1552 CG ASP B 141 -5.454 -6.349 4.882 1.00 1.00 C ATOM 1553 OD1 ASP B 141 -4.728 -7.214 4.349 1.00 1.00 O ATOM 1554 OD2 ASP B 141 -6.325 -6.658 5.727 1.00 1.00 O ATOM 0 H ASP B 141 -3.713 -2.808 5.729 1.00 1.00 H new ATOM 0 HA ASP B 141 -3.254 -4.892 3.861 1.00 1.00 H new ATOM 0 HB2 ASP B 141 -6.077 -4.297 4.948 1.00 1.00 H new ATOM 0 HB3 ASP B 141 -5.888 -4.936 3.327 1.00 1.00 H new ATOM 1559 N GLY B 142 -3.805 -3.367 1.900 1.00 1.00 N ATOM 1560 CA GLY B 142 -4.014 -2.608 0.641 1.00 1.00 C ATOM 1561 C GLY B 142 -3.662 -1.105 0.490 1.00 1.00 C ATOM 1562 O GLY B 142 -3.815 -0.583 -0.616 1.00 1.00 O ATOM 0 H GLY B 142 -3.281 -4.222 1.712 1.00 1.00 H new ATOM 0 HA2 GLY B 142 -3.457 -3.135 -0.134 1.00 1.00 H new ATOM 0 HA3 GLY B 142 -5.071 -2.704 0.394 1.00 1.00 H new ATOM 1566 N SER B 143 -3.182 -0.397 1.526 1.00 1.00 N ATOM 1567 CA SER B 143 -2.840 1.063 1.478 1.00 1.00 C ATOM 1568 C SER B 143 -1.359 1.450 1.201 1.00 1.00 C ATOM 1569 O SER B 143 -0.435 0.917 1.824 1.00 1.00 O ATOM 1570 CB SER B 143 -3.288 1.779 2.762 1.00 1.00 C ATOM 1571 OG SER B 143 -3.402 3.163 2.482 1.00 1.00 O ATOM 0 H SER B 143 -3.013 -0.815 2.441 1.00 1.00 H new ATOM 0 HA SER B 143 -3.392 1.393 0.598 1.00 1.00 H new ATOM 0 HB2 SER B 143 -4.243 1.381 3.105 1.00 1.00 H new ATOM 0 HB3 SER B 143 -2.567 1.611 3.562 1.00 1.00 H new ATOM 0 HG SER B 143 -3.689 3.638 3.290 1.00 1.00 H new ATOM 1577 N GLU B 144 -1.135 2.436 0.312 1.00 1.00 N ATOM 1578 CA GLU B 144 0.150 3.124 0.013 1.00 1.00 C ATOM 1579 C GLU B 144 0.103 4.613 0.439 1.00 1.00 C ATOM 1580 O GLU B 144 -0.313 5.475 -0.333 1.00 1.00 O ATOM 1581 CB GLU B 144 0.571 2.952 -1.478 1.00 1.00 C ATOM 1582 CG GLU B 144 1.963 3.553 -1.817 1.00 1.00 C ATOM 1583 CD GLU B 144 2.302 3.565 -3.324 1.00 1.00 C ATOM 1584 OE1 GLU B 144 2.571 2.490 -3.913 1.00 1.00 O ATOM 1585 OE2 GLU B 144 2.213 4.650 -3.957 1.00 1.00 O ATOM 0 H GLU B 144 -1.895 2.804 -0.260 1.00 1.00 H new ATOM 0 HA GLU B 144 0.924 2.642 0.610 1.00 1.00 H new ATOM 0 HB2 GLU B 144 0.576 1.890 -1.723 1.00 1.00 H new ATOM 0 HB3 GLU B 144 -0.180 3.422 -2.113 1.00 1.00 H new ATOM 0 HG2 GLU B 144 2.006 4.574 -1.439 1.00 1.00 H new ATOM 0 HG3 GLU B 144 2.729 2.985 -1.289 1.00 1.00 H new ATOM 1592 N SER B 145 0.551 4.933 1.662 1.00 1.00 N ATOM 1593 CA SER B 145 0.760 6.314 2.162 1.00 1.00 C ATOM 1594 C SER B 145 1.929 6.457 3.164 1.00 1.00 C ATOM 1595 O SER B 145 2.375 5.484 3.777 1.00 1.00 O ATOM 1596 CB SER B 145 -0.535 6.836 2.805 1.00 1.00 C ATOM 1597 OG SER B 145 -0.621 8.245 2.656 1.00 1.00 O ATOM 0 H SER B 145 0.787 4.223 2.356 1.00 1.00 H new ATOM 0 HA SER B 145 1.032 6.910 1.291 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.398 6.360 2.340 1.00 1.00 H new ATOM 0 HB3 SER B 145 -0.557 6.572 3.862 1.00 1.00 H new ATOM 0 HG SER B 145 -1.450 8.567 3.067 1.00 1.00 H new ATOM 1603 N GLY B 146 2.454 7.684 3.340 1.00 1.00 N ATOM 1604 CA GLY B 146 3.414 8.065 4.395 1.00 1.00 C ATOM 1605 C GLY B 146 4.377 9.232 4.132 1.00 1.00 C ATOM 1606 O GLY B 146 4.998 9.705 5.074 1.00 1.00 O ATOM 0 H GLY B 146 2.213 8.466 2.730 1.00 1.00 H new ATOM 0 HA2 GLY B 146 2.842 8.305 5.291 1.00 1.00 H new ATOM 0 HA3 GLY B 146 4.016 7.186 4.627 1.00 1.00 H new ATOM 1610 N ALA B 147 4.547 9.699 2.887 1.00 1.00 N ATOM 1611 CA ALA B 147 5.392 10.869 2.510 1.00 1.00 C ATOM 1612 C ALA B 147 6.859 10.867 3.043 1.00 1.00 C ATOM 1613 O ALA B 147 7.508 11.905 3.172 1.00 1.00 O ATOM 1614 CB ALA B 147 4.599 12.155 2.822 1.00 1.00 C ATOM 0 H ALA B 147 4.092 9.269 2.082 1.00 1.00 H new ATOM 0 HA ALA B 147 5.581 10.804 1.438 1.00 1.00 H new ATOM 0 HB1 ALA B 147 5.198 13.026 2.554 1.00 1.00 H new ATOM 0 HB2 ALA B 147 3.673 12.160 2.247 1.00 1.00 H new ATOM 0 HB3 ALA B 147 4.365 12.189 3.886 1.00 1.00 H new ATOM 1620 N CYS B 148 7.423 9.677 3.299 1.00 1.00 N ATOM 1621 CA CYS B 148 8.822 9.436 3.713 1.00 1.00 C ATOM 1622 C CYS B 148 9.770 9.727 2.508 1.00 1.00 C ATOM 1623 O CYS B 148 9.753 8.998 1.515 1.00 1.00 O ATOM 1624 CB CYS B 148 8.989 7.970 4.180 1.00 1.00 C ATOM 1625 SG CYS B 148 8.739 7.596 5.932 1.00 1.00 S ATOM 0 H CYS B 148 6.892 8.810 3.220 1.00 1.00 H new ATOM 0 HA CYS B 148 9.077 10.096 4.542 1.00 1.00 H new ATOM 0 HB2 CYS B 148 8.294 7.357 3.606 1.00 1.00 H new ATOM 0 HB3 CYS B 148 9.995 7.648 3.911 1.00 1.00 H new ATOM 1630 N LYS B 149 10.548 10.811 2.610 1.00 1.00 N ATOM 1631 CA LYS B 149 11.486 11.406 1.608 1.00 1.00 C ATOM 1632 C LYS B 149 12.198 12.662 2.155 1.00 1.00 C ATOM 1633 O LYS B 149 11.598 13.421 2.914 1.00 1.00 O ATOM 1634 CB LYS B 149 10.771 11.781 0.275 1.00 1.00 C ATOM 1635 CG LYS B 149 9.546 12.718 0.401 1.00 1.00 C ATOM 1636 CD LYS B 149 8.913 13.126 -0.944 1.00 1.00 C ATOM 1637 CE LYS B 149 9.680 14.262 -1.650 1.00 1.00 C ATOM 1638 NZ LYS B 149 8.977 14.732 -2.874 1.00 1.00 N ATOM 0 H LYS B 149 10.548 11.357 3.472 1.00 1.00 H new ATOM 0 HA LYS B 149 12.225 10.630 1.408 1.00 1.00 H new ATOM 0 HB2 LYS B 149 11.499 12.255 -0.384 1.00 1.00 H new ATOM 0 HB3 LYS B 149 10.451 10.861 -0.213 1.00 1.00 H new ATOM 0 HG2 LYS B 149 8.788 12.225 1.010 1.00 1.00 H new ATOM 0 HG3 LYS B 149 9.847 13.619 0.935 1.00 1.00 H new ATOM 0 HD2 LYS B 149 8.876 12.257 -1.601 1.00 1.00 H new ATOM 0 HD3 LYS B 149 7.883 13.441 -0.774 1.00 1.00 H new ATOM 0 HE2 LYS B 149 9.806 15.097 -0.961 1.00 1.00 H new ATOM 0 HE3 LYS B 149 10.678 13.915 -1.916 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 9.594 15.384 -3.400 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 8.743 13.916 -3.475 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 8.102 15.225 -2.604 1.00 1.00 H new ATOM 1652 N ILE B 150 13.486 12.809 1.763 1.00 1.00 N ATOM 1653 CA ILE B 150 14.451 13.919 1.920 1.00 1.00 C ATOM 1654 C ILE B 150 14.330 14.811 3.180 1.00 1.00 C ATOM 1655 O ILE B 150 15.114 14.567 4.110 1.00 1.00 O ATOM 1656 CB ILE B 150 14.700 14.664 0.594 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.009 15.496 0.614 1.00 1.00 C ATOM 1658 CG2 ILE B 150 13.488 15.527 0.194 1.00 1.00 C ATOM 1659 CD1 ILE B 150 17.278 14.660 0.862 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.421 15.643 3.333 1.00 1.00 O ATOM 0 H ILE B 150 13.932 12.042 1.259 1.00 1.00 H new ATOM 0 HA ILE B 150 15.383 13.413 2.170 1.00 1.00 H new ATOM 0 HB ILE B 150 14.830 13.899 -0.172 1.00 1.00 H new ATOM 0 HG12 ILE B 150 16.110 16.018 -0.337 1.00 1.00 H new ATOM 0 HG13 ILE B 150 15.931 16.258 1.389 1.00 1.00 H new ATOM 0 HG21 ILE B 150 13.699 16.038 -0.746 1.00 1.00 H new ATOM 0 HG22 ILE B 150 12.612 14.890 0.072 1.00 1.00 H new ATOM 0 HG23 ILE B 150 13.294 16.265 0.972 1.00 1.00 H new ATOM 0 HD11 ILE B 150 18.150 15.314 0.861 1.00 1.00 H new ATOM 0 HD12 ILE B 150 17.201 14.159 1.827 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.383 13.915 0.073 1.00 1.00 H new TER 1672 ILE B 150