USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 739 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 67 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -4.5! C(o=-5.7!,f=-4.5!) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.83 K(o=-1.7,f=-2.9!) USER MOD Set 2.2: A 45 THR OG1 : rot -51:sc= 0.108 USER MOD Set 3.1: A 35 SER OG : rot -30:sc= 0.147 USER MOD Set 3.2: A 83 ASN : amide:sc= 0.856 K(o=1,f=-9.2!) USER MOD Set 4.1: A 24 MET CE :methyl -137:sc= -0.132 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -2.71! C(o=-2.8!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -110:sc= -0.0577 (180deg=-2.84!) USER MOD Single : A 18 ASN : amide:sc= -0.827! C(o=-0.83!,f=-2.1!) USER MOD Single : A 20 SER OG : rot 18:sc= 0.632 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 9:sc= -3.3! USER MOD Single : A 31 THR OG1 : rot 160:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.023 USER MOD Single : A 49 HIS : no HE2:sc= 0.00286 X(o=0.0029,f=-0.083) USER MOD Single : A 51 SER OG : rot -68:sc= 1.19 USER MOD Single : A 53 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-5.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.418 K(o=0.42,f=-3.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 103:sc= -0.601 USER MOD Single : A 77 TYR OH : rot -38:sc= 0.523 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -161:sc= -1.52 (180deg=-2.48!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.436 K(o=-0.44,f=-5.7!) USER MOD Single : A 88 SER OG : rot 110:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 165:sc= -1.19 USER MOD Single : A 95 ASN : amide:sc= -0.714 K(o=-0.71,f=-4.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00968 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.113 13.796 -11.222 1.00 0.00 N ATOM 2 CA GLY A 1 30.828 14.441 -11.026 1.00 0.00 C ATOM 3 C GLY A 1 29.693 13.445 -10.892 1.00 0.00 C ATOM 4 O GLY A 1 28.979 13.173 -11.858 1.00 0.00 O ATOM 0 H1 GLY A 1 32.855 14.520 -11.308 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.321 13.182 -10.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.085 13.224 -12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.870 15.062 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.627 15.106 -11.866 1.00 0.00 H new ATOM 8 N SER A 2 29.527 12.897 -9.693 1.00 0.00 N ATOM 9 CA SER A 2 28.475 11.921 -9.437 1.00 0.00 C ATOM 10 C SER A 2 27.147 12.386 -10.026 1.00 0.00 C ATOM 11 O SER A 2 26.975 13.563 -10.344 1.00 0.00 O ATOM 12 CB SER A 2 28.324 11.684 -7.933 1.00 0.00 C ATOM 13 OG SER A 2 29.208 10.671 -7.485 1.00 0.00 O ATOM 0 H SER A 2 30.108 13.113 -8.883 1.00 0.00 H new ATOM 0 HA SER A 2 28.758 10.985 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.524 12.610 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.296 11.400 -7.708 1.00 0.00 H new ATOM 0 HG SER A 2 29.093 10.540 -6.521 1.00 0.00 H new ATOM 19 N SER A 3 26.210 11.454 -10.168 1.00 0.00 N ATOM 20 CA SER A 3 24.898 11.766 -10.722 1.00 0.00 C ATOM 21 C SER A 3 23.812 10.933 -10.049 1.00 0.00 C ATOM 22 O SER A 3 23.949 9.720 -9.897 1.00 0.00 O ATOM 23 CB SER A 3 24.886 11.517 -12.232 1.00 0.00 C ATOM 24 OG SER A 3 23.644 11.893 -12.801 1.00 0.00 O ATOM 0 H SER A 3 26.335 10.476 -9.907 1.00 0.00 H new ATOM 0 HA SER A 3 24.692 12.820 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.691 12.081 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.077 10.462 -12.431 1.00 0.00 H new ATOM 0 HG SER A 3 23.662 11.726 -13.766 1.00 0.00 H new ATOM 30 N GLY A 4 22.731 11.595 -9.648 1.00 0.00 N ATOM 31 CA GLY A 4 21.636 10.901 -8.996 1.00 0.00 C ATOM 32 C GLY A 4 21.979 10.477 -7.581 1.00 0.00 C ATOM 33 O GLY A 4 23.014 9.854 -7.347 1.00 0.00 O ATOM 0 H GLY A 4 22.594 12.599 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.760 11.549 -8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.368 10.021 -9.581 1.00 0.00 H new ATOM 37 N SER A 5 21.108 10.816 -6.636 1.00 0.00 N ATOM 38 CA SER A 5 21.327 10.472 -5.236 1.00 0.00 C ATOM 39 C SER A 5 20.135 9.704 -4.673 1.00 0.00 C ATOM 40 O SER A 5 20.203 9.146 -3.578 1.00 0.00 O ATOM 41 CB SER A 5 21.571 11.736 -4.410 1.00 0.00 C ATOM 42 OG SER A 5 20.431 12.578 -4.417 1.00 0.00 O ATOM 0 H SER A 5 20.244 11.328 -6.814 1.00 0.00 H new ATOM 0 HA SER A 5 22.209 9.834 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.818 11.462 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.429 12.276 -4.811 1.00 0.00 H new ATOM 0 HG SER A 5 20.612 13.378 -3.881 1.00 0.00 H new ATOM 48 N SER A 6 19.042 9.682 -5.430 1.00 0.00 N ATOM 49 CA SER A 6 17.833 8.987 -5.006 1.00 0.00 C ATOM 50 C SER A 6 17.283 8.116 -6.132 1.00 0.00 C ATOM 51 O SER A 6 17.043 8.594 -7.240 1.00 0.00 O ATOM 52 CB SER A 6 16.770 9.993 -4.560 1.00 0.00 C ATOM 53 OG SER A 6 15.807 9.380 -3.721 1.00 0.00 O ATOM 0 H SER A 6 18.970 10.138 -6.340 1.00 0.00 H new ATOM 0 HA SER A 6 18.091 8.344 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.246 10.818 -4.030 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.277 10.418 -5.435 1.00 0.00 H new ATOM 0 HG SER A 6 15.140 10.044 -3.449 1.00 0.00 H new ATOM 59 N GLY A 7 17.087 6.834 -5.839 1.00 0.00 N ATOM 60 CA GLY A 7 16.568 5.916 -6.836 1.00 0.00 C ATOM 61 C GLY A 7 16.857 4.467 -6.496 1.00 0.00 C ATOM 62 O GLY A 7 17.646 3.797 -7.162 1.00 0.00 O ATOM 0 H GLY A 7 17.278 6.415 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.491 6.056 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.005 6.153 -7.806 1.00 0.00 H new ATOM 66 N PRO A 8 16.209 3.964 -5.435 1.00 0.00 N ATOM 67 CA PRO A 8 16.385 2.581 -4.983 1.00 0.00 C ATOM 68 C PRO A 8 15.780 1.572 -5.954 1.00 0.00 C ATOM 69 O PRO A 8 15.309 1.938 -7.031 1.00 0.00 O ATOM 70 CB PRO A 8 15.642 2.547 -3.645 1.00 0.00 C ATOM 71 CG PRO A 8 14.627 3.633 -3.748 1.00 0.00 C ATOM 72 CD PRO A 8 15.254 4.706 -4.595 1.00 0.00 C ATOM 0 HA PRO A 8 17.438 2.308 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.170 1.579 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.322 2.718 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.707 3.265 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.365 4.017 -2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.510 5.228 -5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.755 5.458 -3.985 1.00 0.00 H new ATOM 80 N PHE A 9 15.797 0.301 -5.566 1.00 0.00 N ATOM 81 CA PHE A 9 15.251 -0.761 -6.403 1.00 0.00 C ATOM 82 C PHE A 9 13.787 -0.489 -6.739 1.00 0.00 C ATOM 83 O PHE A 9 13.316 -0.829 -7.825 1.00 0.00 O ATOM 84 CB PHE A 9 15.382 -2.113 -5.699 1.00 0.00 C ATOM 85 CG PHE A 9 16.753 -2.716 -5.810 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.729 -2.427 -4.869 1.00 0.00 C ATOM 87 CD2 PHE A 9 17.066 -3.571 -6.854 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.992 -2.980 -4.969 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.327 -4.127 -6.958 1.00 0.00 C ATOM 90 CZ PHE A 9 19.291 -3.832 -6.014 1.00 0.00 C ATOM 0 H PHE A 9 16.183 -0.018 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 9 15.821 -0.787 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 9 15.132 -1.991 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.654 -2.806 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.500 -1.763 -4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 9 16.316 -3.806 -7.595 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.744 -2.746 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.558 -4.792 -7.777 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.277 -4.267 -6.093 1.00 0.00 H new ATOM 100 N ILE A 10 13.074 0.124 -5.800 1.00 0.00 N ATOM 101 CA ILE A 10 11.666 0.441 -5.997 1.00 0.00 C ATOM 102 C ILE A 10 11.465 1.311 -7.233 1.00 0.00 C ATOM 103 O ILE A 10 11.684 2.522 -7.194 1.00 0.00 O ATOM 104 CB ILE A 10 11.075 1.164 -4.772 1.00 0.00 C ATOM 105 CG1 ILE A 10 11.216 0.294 -3.521 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.616 1.517 -5.017 1.00 0.00 C ATOM 107 CD1 ILE A 10 11.087 1.068 -2.228 1.00 0.00 C ATOM 0 H ILE A 10 13.449 0.411 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 10 11.146 -0.507 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 10 11.630 2.089 -4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.456 -0.487 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.186 -0.203 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.213 2.027 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.541 2.172 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.047 0.605 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.197 0.387 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.863 1.832 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.107 1.543 -2.185 1.00 0.00 H new ATOM 119 N MET A 11 11.045 0.686 -8.328 1.00 0.00 N ATOM 120 CA MET A 11 10.812 1.405 -9.575 1.00 0.00 C ATOM 121 C MET A 11 9.723 2.459 -9.400 1.00 0.00 C ATOM 122 O MET A 11 9.679 3.447 -10.133 1.00 0.00 O ATOM 123 CB MET A 11 10.419 0.428 -10.685 1.00 0.00 C ATOM 124 CG MET A 11 11.379 -0.740 -10.836 1.00 0.00 C ATOM 125 SD MET A 11 12.976 -0.244 -11.510 1.00 0.00 S ATOM 126 CE MET A 11 14.061 -1.431 -10.721 1.00 0.00 C ATOM 0 H MET A 11 10.859 -0.316 -8.377 1.00 0.00 H new ATOM 0 HA MET A 11 11.738 1.908 -9.854 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.420 0.042 -10.481 1.00 0.00 H new ATOM 0 HB3 MET A 11 10.365 0.968 -11.630 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.529 -1.210 -9.864 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.932 -1.491 -11.487 1.00 0.00 H new ATOM 0 HE1 MET A 11 14.682 -0.922 -9.983 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.464 -2.197 -10.227 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.699 -1.897 -11.472 1.00 0.00 H new ATOM 136 N ASP A 12 8.848 2.242 -8.425 1.00 0.00 N ATOM 137 CA ASP A 12 7.760 3.174 -8.153 1.00 0.00 C ATOM 138 C ASP A 12 7.416 3.189 -6.667 1.00 0.00 C ATOM 139 O ASP A 12 7.238 2.139 -6.050 1.00 0.00 O ATOM 140 CB ASP A 12 6.523 2.800 -8.972 1.00 0.00 C ATOM 141 CG ASP A 12 5.579 3.971 -9.163 1.00 0.00 C ATOM 142 OD1 ASP A 12 6.070 5.102 -9.364 1.00 0.00 O ATOM 143 OD2 ASP A 12 4.350 3.757 -9.112 1.00 0.00 O ATOM 0 H ASP A 12 8.871 1.429 -7.810 1.00 0.00 H new ATOM 0 HA ASP A 12 8.089 4.172 -8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.836 2.427 -9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.993 1.988 -8.474 1.00 0.00 H new ATOM 148 N ALA A 13 7.324 4.387 -6.098 1.00 0.00 N ATOM 149 CA ALA A 13 7.001 4.539 -4.685 1.00 0.00 C ATOM 150 C ALA A 13 5.602 5.117 -4.501 1.00 0.00 C ATOM 151 O ALA A 13 5.133 5.935 -5.293 1.00 0.00 O ATOM 152 CB ALA A 13 8.033 5.421 -3.999 1.00 0.00 C ATOM 0 H ALA A 13 7.469 5.266 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 13 7.021 3.551 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.779 5.526 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.019 4.966 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.042 6.404 -4.469 1.00 0.00 H new ATOM 158 N PRO A 14 4.917 4.683 -3.433 1.00 0.00 N ATOM 159 CA PRO A 14 3.561 5.145 -3.120 1.00 0.00 C ATOM 160 C PRO A 14 3.535 6.601 -2.668 1.00 0.00 C ATOM 161 O PRO A 14 4.403 7.043 -1.916 1.00 0.00 O ATOM 162 CB PRO A 14 3.127 4.222 -1.979 1.00 0.00 C ATOM 163 CG PRO A 14 4.399 3.785 -1.340 1.00 0.00 C ATOM 164 CD PRO A 14 5.414 3.708 -2.447 1.00 0.00 C ATOM 0 HA PRO A 14 2.906 5.106 -3.990 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.487 4.745 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.559 3.370 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.713 4.492 -0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.279 2.817 -0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.413 3.966 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.474 2.705 -2.869 1.00 0.00 H new ATOM 172 N ARG A 15 2.532 7.341 -3.131 1.00 0.00 N ATOM 173 CA ARG A 15 2.394 8.748 -2.774 1.00 0.00 C ATOM 174 C ARG A 15 1.076 8.996 -2.045 1.00 0.00 C ATOM 175 O ARG A 15 0.094 8.284 -2.256 1.00 0.00 O ATOM 176 CB ARG A 15 2.468 9.623 -4.026 1.00 0.00 C ATOM 177 CG ARG A 15 3.041 11.007 -3.768 1.00 0.00 C ATOM 178 CD ARG A 15 3.310 11.750 -5.068 1.00 0.00 C ATOM 179 NE ARG A 15 2.085 12.289 -5.654 1.00 0.00 N ATOM 180 CZ ARG A 15 2.024 12.818 -6.871 1.00 0.00 C ATOM 181 NH1 ARG A 15 3.112 12.879 -7.626 1.00 0.00 N ATOM 182 NH2 ARG A 15 0.873 13.288 -7.334 1.00 0.00 N ATOM 0 H ARG A 15 1.804 6.990 -3.753 1.00 0.00 H new ATOM 0 HA ARG A 15 3.215 9.010 -2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.079 9.120 -4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.468 9.726 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.345 11.582 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.967 10.919 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.011 12.563 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.786 11.075 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 15 1.230 12.257 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.999 12.519 -7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.062 13.286 -8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.034 13.243 -6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.827 13.694 -8.269 1.00 0.00 H new ATOM 196 N ASP A 16 1.064 10.010 -1.186 1.00 0.00 N ATOM 197 CA ASP A 16 -0.132 10.353 -0.426 1.00 0.00 C ATOM 198 C ASP A 16 -1.384 10.197 -1.283 1.00 0.00 C ATOM 199 O ASP A 16 -1.365 10.468 -2.484 1.00 0.00 O ATOM 200 CB ASP A 16 -0.034 11.786 0.101 1.00 0.00 C ATOM 201 CG ASP A 16 -0.842 11.994 1.367 1.00 0.00 C ATOM 202 OD1 ASP A 16 -1.976 11.478 1.438 1.00 0.00 O ATOM 203 OD2 ASP A 16 -0.339 12.673 2.287 1.00 0.00 O ATOM 0 H ASP A 16 1.869 10.608 -0.999 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.205 9.668 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.011 12.027 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.383 12.477 -0.667 1.00 0.00 H new ATOM 208 N LEU A 17 -2.472 9.758 -0.659 1.00 0.00 N ATOM 209 CA LEU A 17 -3.734 9.565 -1.364 1.00 0.00 C ATOM 210 C LEU A 17 -4.913 9.998 -0.499 1.00 0.00 C ATOM 211 O LEU A 17 -4.949 9.725 0.700 1.00 0.00 O ATOM 212 CB LEU A 17 -3.895 8.099 -1.770 1.00 0.00 C ATOM 213 CG LEU A 17 -5.273 7.696 -2.296 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.573 8.409 -3.606 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.354 6.187 -2.478 1.00 0.00 C ATOM 0 H LEU A 17 -2.505 9.529 0.334 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.719 10.184 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.155 7.872 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.661 7.476 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.022 7.994 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.558 8.110 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.557 9.487 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.820 8.141 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.342 5.918 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.595 5.865 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.183 5.695 -1.520 1.00 0.00 H new ATOM 227 N ASN A 18 -5.877 10.673 -1.117 1.00 0.00 N ATOM 228 CA ASN A 18 -7.059 11.143 -0.404 1.00 0.00 C ATOM 229 C ASN A 18 -8.330 10.552 -1.008 1.00 0.00 C ATOM 230 O ASN A 18 -8.684 10.853 -2.148 1.00 0.00 O ATOM 231 CB ASN A 18 -7.128 12.671 -0.437 1.00 0.00 C ATOM 232 CG ASN A 18 -8.551 13.188 -0.353 1.00 0.00 C ATOM 233 OD1 ASN A 18 -9.391 12.615 0.342 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.828 14.275 -1.062 1.00 0.00 N ATOM 0 H ASN A 18 -5.863 10.907 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.982 10.812 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.548 13.076 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.667 13.033 -1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.769 14.669 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.100 14.717 -1.624 1.00 0.00 H new ATOM 241 N ILE A 19 -9.010 9.711 -0.236 1.00 0.00 N ATOM 242 CA ILE A 19 -10.241 9.080 -0.695 1.00 0.00 C ATOM 243 C ILE A 19 -11.312 9.111 0.390 1.00 0.00 C ATOM 244 O ILE A 19 -11.007 9.265 1.573 1.00 0.00 O ATOM 245 CB ILE A 19 -10.000 7.619 -1.121 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.279 7.019 -1.707 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.515 6.795 0.063 1.00 0.00 C ATOM 248 CD1 ILE A 19 -11.034 5.804 -2.574 1.00 0.00 C ATOM 0 H ILE A 19 -8.729 9.451 0.710 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.585 9.650 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.228 7.602 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.949 6.745 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.790 7.779 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.349 5.765 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.582 7.214 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.266 6.815 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.985 5.432 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.390 6.077 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.551 5.026 -1.982 1.00 0.00 H new ATOM 260 N SER A 20 -12.567 8.961 -0.020 1.00 0.00 N ATOM 261 CA SER A 20 -13.684 8.974 0.917 1.00 0.00 C ATOM 262 C SER A 20 -13.864 7.606 1.567 1.00 0.00 C ATOM 263 O SER A 20 -13.252 6.624 1.149 1.00 0.00 O ATOM 264 CB SER A 20 -14.973 9.385 0.201 1.00 0.00 C ATOM 265 OG SER A 20 -15.991 9.710 1.131 1.00 0.00 O ATOM 0 H SER A 20 -12.836 8.829 -0.995 1.00 0.00 H new ATOM 0 HA SER A 20 -13.463 9.701 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.777 10.242 -0.443 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.310 8.573 -0.443 1.00 0.00 H new ATOM 0 HG SER A 20 -15.589 9.885 2.008 1.00 0.00 H new ATOM 271 N GLU A 21 -14.709 7.551 2.591 1.00 0.00 N ATOM 272 CA GLU A 21 -14.969 6.303 3.300 1.00 0.00 C ATOM 273 C GLU A 21 -16.002 5.461 2.557 1.00 0.00 C ATOM 274 O GLU A 21 -17.077 5.945 2.206 1.00 0.00 O ATOM 275 CB GLU A 21 -15.456 6.590 4.722 1.00 0.00 C ATOM 276 CG GLU A 21 -16.134 5.403 5.384 1.00 0.00 C ATOM 277 CD GLU A 21 -16.822 5.774 6.684 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.869 6.453 6.627 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.315 5.387 7.756 1.00 0.00 O ATOM 0 H GLU A 21 -15.225 8.355 2.948 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.036 5.742 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.607 6.900 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.153 7.428 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.867 4.979 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.393 4.628 5.578 1.00 0.00 H new ATOM 286 N GLY A 22 -15.667 4.196 2.321 1.00 0.00 N ATOM 287 CA GLY A 22 -16.575 3.306 1.621 1.00 0.00 C ATOM 288 C GLY A 22 -16.337 3.294 0.124 1.00 0.00 C ATOM 289 O GLY A 22 -17.275 3.153 -0.659 1.00 0.00 O ATOM 0 H GLY A 22 -14.783 3.772 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.461 2.295 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.603 3.611 1.820 1.00 0.00 H new ATOM 293 N ARG A 23 -15.077 3.445 -0.274 1.00 0.00 N ATOM 294 CA ARG A 23 -14.719 3.454 -1.687 1.00 0.00 C ATOM 295 C ARG A 23 -13.465 2.620 -1.935 1.00 0.00 C ATOM 296 O ARG A 23 -12.807 2.177 -0.995 1.00 0.00 O ATOM 297 CB ARG A 23 -14.494 4.889 -2.169 1.00 0.00 C ATOM 298 CG ARG A 23 -15.690 5.800 -1.946 1.00 0.00 C ATOM 299 CD ARG A 23 -15.712 6.944 -2.947 1.00 0.00 C ATOM 300 NE ARG A 23 -16.995 7.642 -2.953 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.408 8.413 -3.953 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.643 8.585 -5.022 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.589 9.015 -3.884 1.00 0.00 N ATOM 0 H ARG A 23 -14.288 3.563 0.362 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.544 3.015 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.629 5.306 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.253 4.873 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.610 5.222 -2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.659 6.202 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.917 7.650 -2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.505 6.557 -3.945 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.608 7.531 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.734 8.125 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.963 9.178 -5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.180 8.886 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.905 9.607 -4.652 1.00 0.00 H new ATOM 317 N MET A 24 -13.142 2.412 -3.207 1.00 0.00 N ATOM 318 CA MET A 24 -11.967 1.632 -3.579 1.00 0.00 C ATOM 319 C MET A 24 -10.727 2.517 -3.647 1.00 0.00 C ATOM 320 O MET A 24 -10.782 3.641 -4.145 1.00 0.00 O ATOM 321 CB MET A 24 -12.191 0.943 -4.926 1.00 0.00 C ATOM 322 CG MET A 24 -11.439 -0.370 -5.070 1.00 0.00 C ATOM 323 SD MET A 24 -12.034 -1.364 -6.452 1.00 0.00 S ATOM 324 CE MET A 24 -11.855 -3.016 -5.783 1.00 0.00 C ATOM 0 H MET A 24 -13.677 2.772 -3.997 1.00 0.00 H new ATOM 0 HA MET A 24 -11.808 0.873 -2.813 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.257 0.758 -5.057 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.884 1.618 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.378 -0.163 -5.207 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.536 -0.943 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.434 -3.673 -6.544 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.190 -2.989 -4.919 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.831 -3.393 -5.478 1.00 0.00 H new ATOM 334 N ALA A 25 -9.610 2.002 -3.144 1.00 0.00 N ATOM 335 CA ALA A 25 -8.356 2.746 -3.150 1.00 0.00 C ATOM 336 C ALA A 25 -7.179 1.835 -3.482 1.00 0.00 C ATOM 337 O ALA A 25 -7.276 0.614 -3.364 1.00 0.00 O ATOM 338 CB ALA A 25 -8.138 3.424 -1.805 1.00 0.00 C ATOM 0 H ALA A 25 -9.548 1.073 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.420 3.511 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.198 3.976 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.959 4.113 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.100 2.670 -1.019 1.00 0.00 H new ATOM 344 N GLU A 26 -6.070 2.437 -3.899 1.00 0.00 N ATOM 345 CA GLU A 26 -4.875 1.678 -4.250 1.00 0.00 C ATOM 346 C GLU A 26 -3.614 2.495 -3.986 1.00 0.00 C ATOM 347 O GLU A 26 -3.656 3.726 -3.939 1.00 0.00 O ATOM 348 CB GLU A 26 -4.925 1.257 -5.720 1.00 0.00 C ATOM 349 CG GLU A 26 -6.019 0.248 -6.028 1.00 0.00 C ATOM 350 CD GLU A 26 -5.961 -0.259 -7.456 1.00 0.00 C ATOM 351 OE1 GLU A 26 -6.198 0.545 -8.381 1.00 0.00 O ATOM 352 OE2 GLU A 26 -5.677 -1.460 -7.647 1.00 0.00 O ATOM 0 H GLU A 26 -5.974 3.447 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.846 0.786 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.075 2.142 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.961 0.832 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.933 -0.596 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.992 0.706 -5.849 1.00 0.00 H new ATOM 359 N LEU A 27 -2.493 1.804 -3.815 1.00 0.00 N ATOM 360 CA LEU A 27 -1.218 2.464 -3.555 1.00 0.00 C ATOM 361 C LEU A 27 -0.182 2.082 -4.608 1.00 0.00 C ATOM 362 O LEU A 27 0.259 0.934 -4.672 1.00 0.00 O ATOM 363 CB LEU A 27 -0.706 2.097 -2.162 1.00 0.00 C ATOM 364 CG LEU A 27 -1.340 2.852 -0.993 1.00 0.00 C ATOM 365 CD1 LEU A 27 -0.971 2.197 0.329 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.912 4.312 -1.005 1.00 0.00 C ATOM 0 H LEU A 27 -2.441 0.786 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.378 3.541 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.865 1.030 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.371 2.266 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.423 2.811 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.431 2.748 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.329 1.168 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.112 2.205 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.373 4.833 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.173 4.374 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.229 4.776 -1.939 1.00 0.00 H new ATOM 378 N LYS A 28 0.204 3.052 -5.430 1.00 0.00 N ATOM 379 CA LYS A 28 1.191 2.819 -6.478 1.00 0.00 C ATOM 380 C LYS A 28 2.479 2.247 -5.895 1.00 0.00 C ATOM 381 O LYS A 28 3.123 2.874 -5.053 1.00 0.00 O ATOM 382 CB LYS A 28 1.490 4.122 -7.223 1.00 0.00 C ATOM 383 CG LYS A 28 0.426 4.500 -8.238 1.00 0.00 C ATOM 384 CD LYS A 28 -0.864 4.930 -7.560 1.00 0.00 C ATOM 385 CE LYS A 28 -1.800 3.750 -7.345 1.00 0.00 C ATOM 386 NZ LYS A 28 -2.680 3.518 -8.524 1.00 0.00 N ATOM 0 H LYS A 28 -0.152 4.007 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 28 0.777 2.094 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.592 4.930 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.449 4.028 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.794 5.310 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.229 3.651 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.635 5.394 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.362 5.685 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.214 2.853 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.415 3.930 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.303 2.706 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.258 4.365 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.095 3.321 -9.361 1.00 0.00 H new ATOM 400 N CYS A 29 2.849 1.054 -6.348 1.00 0.00 N ATOM 401 CA CYS A 29 4.061 0.398 -5.871 1.00 0.00 C ATOM 402 C CYS A 29 4.614 -0.556 -6.925 1.00 0.00 C ATOM 403 O CYS A 29 3.891 -1.404 -7.449 1.00 0.00 O ATOM 404 CB CYS A 29 3.778 -0.364 -4.575 1.00 0.00 C ATOM 405 SG CYS A 29 3.157 -2.043 -4.827 1.00 0.00 S ATOM 0 H CYS A 29 2.327 0.522 -7.044 1.00 0.00 H new ATOM 0 HA CYS A 29 4.808 1.168 -5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.694 -0.411 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.051 0.197 -3.988 1.00 0.00 H new ATOM 0 HG CYS A 29 3.240 -2.352 -6.087 1.00 0.00 H new ATOM 411 N ARG A 30 5.899 -0.410 -7.232 1.00 0.00 N ATOM 412 CA ARG A 30 6.548 -1.256 -8.227 1.00 0.00 C ATOM 413 C ARG A 30 7.812 -1.893 -7.657 1.00 0.00 C ATOM 414 O ARG A 30 8.733 -1.196 -7.230 1.00 0.00 O ATOM 415 CB ARG A 30 6.892 -0.441 -9.475 1.00 0.00 C ATOM 416 CG ARG A 30 5.710 -0.223 -10.405 1.00 0.00 C ATOM 417 CD ARG A 30 5.575 -1.356 -11.410 1.00 0.00 C ATOM 418 NE ARG A 30 4.415 -1.182 -12.279 1.00 0.00 N ATOM 419 CZ ARG A 30 4.233 -1.860 -13.407 1.00 0.00 C ATOM 420 NH1 ARG A 30 5.130 -2.753 -13.799 1.00 0.00 N ATOM 421 NH2 ARG A 30 3.150 -1.646 -14.144 1.00 0.00 N ATOM 0 H ARG A 30 6.511 0.286 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 30 5.853 -2.050 -8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.286 0.528 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.686 -0.949 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.794 -0.144 -9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.832 0.722 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.478 -1.411 -12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.491 -2.304 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 30 3.705 -0.503 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.963 -2.921 -13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.988 -3.272 -14.665 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.457 -0.961 -13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.011 -2.167 -15.010 1.00 0.00 H new ATOM 435 N THR A 31 7.849 -3.222 -7.652 1.00 0.00 N ATOM 436 CA THR A 31 8.998 -3.953 -7.134 1.00 0.00 C ATOM 437 C THR A 31 9.581 -4.882 -8.192 1.00 0.00 C ATOM 438 O THR A 31 8.884 -5.357 -9.088 1.00 0.00 O ATOM 439 CB THR A 31 8.623 -4.780 -5.890 1.00 0.00 C ATOM 440 OG1 THR A 31 7.575 -5.702 -6.213 1.00 0.00 O ATOM 441 CG2 THR A 31 8.177 -3.875 -4.752 1.00 0.00 C ATOM 0 H THR A 31 7.095 -3.814 -8.001 1.00 0.00 H new ATOM 0 HA THR A 31 9.746 -3.211 -6.855 1.00 0.00 H new ATOM 0 HB THR A 31 9.506 -5.332 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.558 -6.423 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.917 -4.482 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.987 -3.195 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.306 -3.299 -5.065 1.00 0.00 H new ATOM 449 N PRO A 32 10.892 -5.149 -8.088 1.00 0.00 N ATOM 450 CA PRO A 32 11.598 -6.026 -9.027 1.00 0.00 C ATOM 451 C PRO A 32 11.188 -7.487 -8.877 1.00 0.00 C ATOM 452 O PRO A 32 10.495 -7.868 -7.934 1.00 0.00 O ATOM 453 CB PRO A 32 13.069 -5.841 -8.647 1.00 0.00 C ATOM 454 CG PRO A 32 13.041 -5.425 -7.217 1.00 0.00 C ATOM 455 CD PRO A 32 11.785 -4.617 -7.045 1.00 0.00 C ATOM 0 HA PRO A 32 11.377 -5.775 -10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.631 -6.765 -8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.547 -5.085 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.040 -6.293 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.922 -4.835 -6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.360 -4.743 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.971 -3.552 -7.180 1.00 0.00 H new ATOM 463 N PRO A 33 11.625 -8.325 -9.828 1.00 0.00 N ATOM 464 CA PRO A 33 11.316 -9.758 -9.823 1.00 0.00 C ATOM 465 C PRO A 33 12.032 -10.502 -8.700 1.00 0.00 C ATOM 466 O PRO A 33 13.054 -10.041 -8.192 1.00 0.00 O ATOM 467 CB PRO A 33 11.821 -10.235 -11.187 1.00 0.00 C ATOM 468 CG PRO A 33 12.884 -9.260 -11.560 1.00 0.00 C ATOM 469 CD PRO A 33 12.455 -7.940 -10.982 1.00 0.00 C ATOM 0 HA PRO A 33 10.255 -9.945 -9.657 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.216 -11.249 -11.130 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.018 -10.247 -11.924 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.851 -9.565 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.992 -9.195 -12.643 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.311 -7.338 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.890 -7.350 -11.704 1.00 0.00 H new ATOM 477 N MET A 34 11.490 -11.653 -8.319 1.00 0.00 N ATOM 478 CA MET A 34 12.079 -12.461 -7.257 1.00 0.00 C ATOM 479 C MET A 34 12.161 -11.670 -5.955 1.00 0.00 C ATOM 480 O MET A 34 13.141 -11.770 -5.218 1.00 0.00 O ATOM 481 CB MET A 34 13.474 -12.939 -7.665 1.00 0.00 C ATOM 482 CG MET A 34 13.490 -13.724 -8.967 1.00 0.00 C ATOM 483 SD MET A 34 14.843 -14.914 -9.043 1.00 0.00 S ATOM 484 CE MET A 34 14.499 -15.717 -10.607 1.00 0.00 C ATOM 0 H MET A 34 10.644 -12.048 -8.729 1.00 0.00 H new ATOM 0 HA MET A 34 11.438 -13.328 -7.096 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.131 -12.075 -7.763 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.883 -13.562 -6.869 1.00 0.00 H new ATOM 0 HG2 MET A 34 12.542 -14.250 -9.082 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.573 -13.031 -9.804 1.00 0.00 H new ATOM 0 HE1 MET A 34 15.252 -16.482 -10.797 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.513 -16.180 -10.569 1.00 0.00 H new ATOM 0 HE3 MET A 34 14.523 -14.978 -11.408 1.00 0.00 H new ATOM 494 N SER A 35 11.124 -10.885 -5.678 1.00 0.00 N ATOM 495 CA SER A 35 11.081 -10.075 -4.467 1.00 0.00 C ATOM 496 C SER A 35 9.774 -10.295 -3.712 1.00 0.00 C ATOM 497 O SER A 35 8.812 -10.836 -4.258 1.00 0.00 O ATOM 498 CB SER A 35 11.240 -8.593 -4.813 1.00 0.00 C ATOM 499 OG SER A 35 12.526 -8.329 -5.346 1.00 0.00 O ATOM 0 H SER A 35 10.303 -10.793 -6.276 1.00 0.00 H new ATOM 0 HA SER A 35 11.907 -10.382 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.477 -8.301 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.082 -7.989 -3.920 1.00 0.00 H new ATOM 0 HG SER A 35 13.174 -8.958 -4.965 1.00 0.00 H new ATOM 505 N SER A 36 9.746 -9.872 -2.452 1.00 0.00 N ATOM 506 CA SER A 36 8.559 -10.026 -1.620 1.00 0.00 C ATOM 507 C SER A 36 7.863 -8.684 -1.413 1.00 0.00 C ATOM 508 O SER A 36 8.511 -7.667 -1.167 1.00 0.00 O ATOM 509 CB SER A 36 8.935 -10.632 -0.266 1.00 0.00 C ATOM 510 OG SER A 36 7.789 -10.810 0.548 1.00 0.00 O ATOM 0 H SER A 36 10.532 -9.420 -1.985 1.00 0.00 H new ATOM 0 HA SER A 36 7.871 -10.698 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.430 -11.591 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.648 -9.982 0.241 1.00 0.00 H new ATOM 0 HG SER A 36 8.055 -11.200 1.407 1.00 0.00 H new ATOM 516 N VAL A 37 6.538 -8.690 -1.515 1.00 0.00 N ATOM 517 CA VAL A 37 5.752 -7.475 -1.338 1.00 0.00 C ATOM 518 C VAL A 37 4.970 -7.511 -0.030 1.00 0.00 C ATOM 519 O VAL A 37 4.141 -8.396 0.187 1.00 0.00 O ATOM 520 CB VAL A 37 4.769 -7.268 -2.505 1.00 0.00 C ATOM 521 CG1 VAL A 37 3.914 -6.031 -2.271 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.521 -7.163 -3.823 1.00 0.00 C ATOM 0 H VAL A 37 5.986 -9.523 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 37 6.456 -6.644 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 37 4.108 -8.133 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.226 -5.901 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.346 -6.150 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.557 -5.154 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.811 -7.017 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.207 -6.317 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.085 -8.080 -3.994 1.00 0.00 H new ATOM 532 N LYS A 38 5.238 -6.544 0.841 1.00 0.00 N ATOM 533 CA LYS A 38 4.559 -6.463 2.128 1.00 0.00 C ATOM 534 C LYS A 38 4.082 -5.040 2.403 1.00 0.00 C ATOM 535 O LYS A 38 4.646 -4.076 1.886 1.00 0.00 O ATOM 536 CB LYS A 38 5.491 -6.925 3.250 1.00 0.00 C ATOM 537 CG LYS A 38 5.411 -8.416 3.532 1.00 0.00 C ATOM 538 CD LYS A 38 6.150 -8.782 4.808 1.00 0.00 C ATOM 539 CE LYS A 38 5.541 -10.008 5.472 1.00 0.00 C ATOM 540 NZ LYS A 38 6.073 -11.273 4.893 1.00 0.00 N ATOM 0 H LYS A 38 5.922 -5.805 0.678 1.00 0.00 H new ATOM 0 HA LYS A 38 3.689 -7.119 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.517 -6.668 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.248 -6.378 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.366 -8.716 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.834 -8.969 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.199 -8.973 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.122 -7.940 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.748 -9.983 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.457 -9.983 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.634 -12.085 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.853 -11.309 3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.104 -11.309 5.025 1.00 0.00 H new ATOM 554 N TRP A 39 3.043 -4.917 3.221 1.00 0.00 N ATOM 555 CA TRP A 39 2.492 -3.611 3.566 1.00 0.00 C ATOM 556 C TRP A 39 2.207 -3.518 5.060 1.00 0.00 C ATOM 557 O TRP A 39 1.436 -4.309 5.606 1.00 0.00 O ATOM 558 CB TRP A 39 1.211 -3.350 2.772 1.00 0.00 C ATOM 559 CG TRP A 39 1.465 -2.902 1.364 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.578 -3.697 0.259 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.640 -1.555 0.912 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.813 -2.924 -0.853 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.854 -1.607 -0.479 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.634 -0.310 1.546 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.061 -0.462 -1.244 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.840 0.826 0.786 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.050 0.744 -0.597 1.00 0.00 C ATOM 0 H TRP A 39 2.565 -5.705 3.658 1.00 0.00 H new ATOM 0 HA TRP A 39 3.231 -2.853 3.309 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.612 -4.260 2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.622 -2.591 3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.495 -4.774 0.259 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.937 -3.274 -1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.471 -0.237 2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.224 -0.523 -2.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.839 1.793 1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.206 1.650 -1.163 1.00 0.00 H new ATOM 578 N LEU A 40 2.832 -2.548 5.718 1.00 0.00 N ATOM 579 CA LEU A 40 2.644 -2.352 7.152 1.00 0.00 C ATOM 580 C LEU A 40 1.488 -1.395 7.423 1.00 0.00 C ATOM 581 O LEU A 40 1.248 -0.461 6.657 1.00 0.00 O ATOM 582 CB LEU A 40 3.928 -1.811 7.784 1.00 0.00 C ATOM 583 CG LEU A 40 4.077 -2.029 9.291 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.546 -2.100 9.677 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.374 -0.922 10.062 1.00 0.00 C ATOM 0 H LEU A 40 3.473 -1.885 5.282 1.00 0.00 H new ATOM 0 HA LEU A 40 2.405 -3.317 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.779 -2.274 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.985 -0.741 7.584 1.00 0.00 H new ATOM 0 HG LEU A 40 3.608 -2.978 9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.633 -2.255 10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.021 -2.929 9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.039 -1.167 9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.490 -1.093 11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.813 0.040 9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.314 -0.919 9.808 1.00 0.00 H new ATOM 597 N LEU A 41 0.775 -1.633 8.519 1.00 0.00 N ATOM 598 CA LEU A 41 -0.355 -0.791 8.894 1.00 0.00 C ATOM 599 C LEU A 41 -0.012 0.077 10.100 1.00 0.00 C ATOM 600 O LEU A 41 0.806 -0.288 10.946 1.00 0.00 O ATOM 601 CB LEU A 41 -1.579 -1.655 9.205 1.00 0.00 C ATOM 602 CG LEU A 41 -1.977 -2.666 8.129 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.217 -1.965 6.801 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.908 -3.739 7.983 1.00 0.00 C ATOM 0 H LEU A 41 0.960 -2.402 9.163 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.583 -0.137 8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.391 -2.196 10.132 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.428 -0.996 9.388 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.906 -3.147 8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.499 -2.700 6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.019 -1.235 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.305 -1.456 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.208 -4.450 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.037 -3.275 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.786 -4.262 8.931 1.00 0.00 H new ATOM 616 N PRO A 42 -0.651 1.253 10.185 1.00 0.00 N ATOM 617 CA PRO A 42 -0.431 2.196 11.286 1.00 0.00 C ATOM 618 C PRO A 42 -0.992 1.685 12.608 1.00 0.00 C ATOM 619 O PRO A 42 -0.941 2.377 13.624 1.00 0.00 O ATOM 620 CB PRO A 42 -1.184 3.450 10.834 1.00 0.00 C ATOM 621 CG PRO A 42 -2.235 2.947 9.905 1.00 0.00 C ATOM 622 CD PRO A 42 -1.638 1.753 9.213 1.00 0.00 C ATOM 0 HA PRO A 42 0.630 2.363 11.474 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.624 3.975 11.682 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.518 4.153 10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.138 2.671 10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.519 3.714 9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.394 1.001 8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.168 2.029 8.269 1.00 0.00 H new ATOM 630 N ASN A 43 -1.527 0.468 12.588 1.00 0.00 N ATOM 631 CA ASN A 43 -2.098 -0.136 13.786 1.00 0.00 C ATOM 632 C ASN A 43 -1.111 -1.105 14.430 1.00 0.00 C ATOM 633 O ASN A 43 -1.260 -1.478 15.593 1.00 0.00 O ATOM 634 CB ASN A 43 -3.398 -0.867 13.444 1.00 0.00 C ATOM 635 CG ASN A 43 -3.283 -1.687 12.173 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.817 -1.313 11.129 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.584 -2.813 12.257 1.00 0.00 N ATOM 0 H ASN A 43 -1.577 -0.119 11.755 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.314 0.661 14.497 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.672 -1.521 14.272 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.202 -0.140 13.332 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.473 -3.407 11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.158 -3.084 13.143 1.00 0.00 H new ATOM 644 N GLY A 44 -0.102 -1.509 13.664 1.00 0.00 N ATOM 645 CA GLY A 44 0.895 -2.431 14.177 1.00 0.00 C ATOM 646 C GLY A 44 0.771 -3.815 13.572 1.00 0.00 C ATOM 647 O GLY A 44 0.548 -4.795 14.284 1.00 0.00 O ATOM 0 H GLY A 44 0.043 -1.215 12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.890 -2.036 13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.797 -2.501 15.260 1.00 0.00 H new ATOM 651 N THR A 45 0.915 -3.898 12.253 1.00 0.00 N ATOM 652 CA THR A 45 0.814 -5.172 11.552 1.00 0.00 C ATOM 653 C THR A 45 1.322 -5.052 10.119 1.00 0.00 C ATOM 654 O THR A 45 1.657 -3.961 9.658 1.00 0.00 O ATOM 655 CB THR A 45 -0.637 -5.687 11.528 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.289 -5.372 12.764 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.674 -7.190 11.298 1.00 0.00 C ATOM 0 H THR A 45 1.102 -3.098 11.649 1.00 0.00 H new ATOM 0 HA THR A 45 1.435 -5.883 12.097 1.00 0.00 H new ATOM 0 HB THR A 45 -1.160 -5.197 10.707 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.738 -5.681 13.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.709 -7.531 11.285 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.203 -7.424 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.136 -7.694 12.101 1.00 0.00 H new ATOM 665 N VAL A 46 1.376 -6.181 9.420 1.00 0.00 N ATOM 666 CA VAL A 46 1.842 -6.203 8.038 1.00 0.00 C ATOM 667 C VAL A 46 1.156 -7.309 7.244 1.00 0.00 C ATOM 668 O VAL A 46 0.918 -8.402 7.760 1.00 0.00 O ATOM 669 CB VAL A 46 3.367 -6.401 7.963 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.813 -6.578 6.519 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.089 -5.231 8.613 1.00 0.00 C ATOM 0 H VAL A 46 1.103 -7.092 9.788 1.00 0.00 H new ATOM 0 HA VAL A 46 1.587 -5.237 7.603 1.00 0.00 H new ATOM 0 HB VAL A 46 3.625 -7.307 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.894 -6.717 6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.322 -7.452 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.543 -5.692 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.166 -5.388 8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.826 -4.308 8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.793 -5.157 9.659 1.00 0.00 H new ATOM 681 N LEU A 47 0.842 -7.019 5.987 1.00 0.00 N ATOM 682 CA LEU A 47 0.183 -7.990 5.120 1.00 0.00 C ATOM 683 C LEU A 47 1.044 -8.302 3.900 1.00 0.00 C ATOM 684 O LEU A 47 1.940 -7.535 3.547 1.00 0.00 O ATOM 685 CB LEU A 47 -1.182 -7.463 4.674 1.00 0.00 C ATOM 686 CG LEU A 47 -2.231 -7.304 5.774 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.469 -6.603 5.234 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.597 -8.659 6.363 1.00 0.00 C ATOM 0 H LEU A 47 1.033 -6.120 5.545 1.00 0.00 H new ATOM 0 HA LEU A 47 0.042 -8.910 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.037 -6.495 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.579 -8.137 3.915 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.807 -6.688 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.205 -6.499 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.195 -5.616 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.895 -7.192 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.345 -8.526 7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.001 -9.299 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.707 -9.123 6.788 1.00 0.00 H new ATOM 700 N SER A 48 0.764 -9.432 3.258 1.00 0.00 N ATOM 701 CA SER A 48 1.514 -9.846 2.077 1.00 0.00 C ATOM 702 C SER A 48 0.619 -10.610 1.106 1.00 0.00 C ATOM 703 O SER A 48 -0.505 -10.985 1.443 1.00 0.00 O ATOM 704 CB SER A 48 2.705 -10.716 2.483 1.00 0.00 C ATOM 705 OG SER A 48 2.291 -12.034 2.799 1.00 0.00 O ATOM 0 H SER A 48 0.024 -10.077 3.535 1.00 0.00 H new ATOM 0 HA SER A 48 1.881 -8.950 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.432 -10.745 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.206 -10.273 3.344 1.00 0.00 H new ATOM 0 HG SER A 48 3.071 -12.570 3.053 1.00 0.00 H new ATOM 711 N HIS A 49 1.126 -10.838 -0.101 1.00 0.00 N ATOM 712 CA HIS A 49 0.374 -11.558 -1.123 1.00 0.00 C ATOM 713 C HIS A 49 -0.331 -12.772 -0.524 1.00 0.00 C ATOM 714 O HIS A 49 -1.323 -13.257 -1.068 1.00 0.00 O ATOM 715 CB HIS A 49 1.303 -12.000 -2.254 1.00 0.00 C ATOM 716 CG HIS A 49 0.580 -12.578 -3.432 1.00 0.00 C ATOM 717 ND1 HIS A 49 -0.359 -11.875 -4.156 1.00 0.00 N ATOM 718 CD2 HIS A 49 0.665 -13.798 -4.011 1.00 0.00 C ATOM 719 CE1 HIS A 49 -0.822 -12.639 -5.130 1.00 0.00 C ATOM 720 NE2 HIS A 49 -0.216 -13.811 -5.064 1.00 0.00 N ATOM 0 H HIS A 49 2.054 -10.535 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.381 -10.883 -1.526 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.893 -11.145 -2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.004 -12.741 -1.869 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.651 -10.916 -3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.306 -14.610 -3.702 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.569 -12.354 -5.856 1.00 0.00 H new ATOM 729 N ALA A 50 0.188 -13.257 0.599 1.00 0.00 N ATOM 730 CA ALA A 50 -0.392 -14.413 1.271 1.00 0.00 C ATOM 731 C ALA A 50 -1.647 -14.025 2.045 1.00 0.00 C ATOM 732 O ALA A 50 -2.688 -14.670 1.923 1.00 0.00 O ATOM 733 CB ALA A 50 0.629 -15.049 2.203 1.00 0.00 C ATOM 0 H ALA A 50 1.009 -12.867 1.062 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.676 -15.140 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.182 -15.911 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.497 -15.371 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.941 -14.321 2.952 1.00 0.00 H new ATOM 739 N SER A 51 -1.541 -12.967 2.843 1.00 0.00 N ATOM 740 CA SER A 51 -2.667 -12.495 3.641 1.00 0.00 C ATOM 741 C SER A 51 -3.984 -12.708 2.901 1.00 0.00 C ATOM 742 O SER A 51 -4.045 -12.599 1.676 1.00 0.00 O ATOM 743 CB SER A 51 -2.493 -11.014 3.981 1.00 0.00 C ATOM 744 OG SER A 51 -2.721 -10.199 2.844 1.00 0.00 O ATOM 0 H SER A 51 -0.687 -12.420 2.954 1.00 0.00 H new ATOM 0 HA SER A 51 -2.693 -13.072 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.185 -10.736 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.486 -10.841 4.360 1.00 0.00 H new ATOM 0 HG SER A 51 -2.003 -10.339 2.192 1.00 0.00 H new ATOM 750 N ARG A 52 -5.036 -13.011 3.654 1.00 0.00 N ATOM 751 CA ARG A 52 -6.353 -13.240 3.070 1.00 0.00 C ATOM 752 C ARG A 52 -7.288 -12.070 3.362 1.00 0.00 C ATOM 753 O ARG A 52 -8.504 -12.179 3.202 1.00 0.00 O ATOM 754 CB ARG A 52 -6.956 -14.537 3.614 1.00 0.00 C ATOM 755 CG ARG A 52 -7.119 -14.546 5.125 1.00 0.00 C ATOM 756 CD ARG A 52 -7.019 -15.956 5.687 1.00 0.00 C ATOM 757 NE ARG A 52 -6.823 -15.956 7.134 1.00 0.00 N ATOM 758 CZ ARG A 52 -7.787 -15.687 8.006 1.00 0.00 C ATOM 759 NH1 ARG A 52 -9.009 -15.398 7.581 1.00 0.00 N ATOM 760 NH2 ARG A 52 -7.530 -15.706 9.308 1.00 0.00 N ATOM 0 H ARG A 52 -5.003 -13.104 4.669 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.234 -13.327 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.930 -14.697 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.322 -15.374 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.353 -13.917 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.084 -14.115 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.927 -16.508 5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.191 -16.479 5.209 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.894 -16.175 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.211 -15.382 6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.747 -15.192 8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.591 -15.927 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.271 -15.499 9.977 1.00 0.00 H new ATOM 774 N HIS A 53 -6.712 -10.952 3.791 1.00 0.00 N ATOM 775 CA HIS A 53 -7.494 -9.761 4.105 1.00 0.00 C ATOM 776 C HIS A 53 -8.446 -9.420 2.963 1.00 0.00 C ATOM 777 O HIS A 53 -8.057 -9.353 1.796 1.00 0.00 O ATOM 778 CB HIS A 53 -6.568 -8.576 4.383 1.00 0.00 C ATOM 779 CG HIS A 53 -7.156 -7.564 5.318 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.188 -6.722 4.962 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.851 -7.262 6.602 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.492 -5.945 5.986 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.696 -6.253 6.994 1.00 0.00 N ATOM 0 H HIS A 53 -5.707 -10.845 3.929 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.084 -9.969 4.997 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.633 -8.947 4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.323 -8.088 3.440 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.086 -7.728 7.205 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.261 -5.187 5.997 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.707 -5.813 7.914 1.00 0.00 H new ATOM 792 N PRO A 54 -9.725 -9.200 3.303 1.00 0.00 N ATOM 793 CA PRO A 54 -10.759 -8.862 2.321 1.00 0.00 C ATOM 794 C PRO A 54 -10.571 -7.466 1.738 1.00 0.00 C ATOM 795 O PRO A 54 -10.557 -7.288 0.520 1.00 0.00 O ATOM 796 CB PRO A 54 -12.055 -8.934 3.132 1.00 0.00 C ATOM 797 CG PRO A 54 -11.637 -8.677 4.538 1.00 0.00 C ATOM 798 CD PRO A 54 -10.259 -9.263 4.674 1.00 0.00 C ATOM 0 HA PRO A 54 -10.740 -9.533 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.777 -8.191 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.531 -9.910 3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.630 -7.609 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.329 -9.140 5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.646 -8.691 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.293 -10.287 5.046 1.00 0.00 H new ATOM 806 N ARG A 55 -10.428 -6.478 2.616 1.00 0.00 N ATOM 807 CA ARG A 55 -10.242 -5.097 2.188 1.00 0.00 C ATOM 808 C ARG A 55 -8.858 -4.899 1.576 1.00 0.00 C ATOM 809 O ARG A 55 -8.727 -4.660 0.375 1.00 0.00 O ATOM 810 CB ARG A 55 -10.430 -4.144 3.370 1.00 0.00 C ATOM 811 CG ARG A 55 -11.869 -3.701 3.572 1.00 0.00 C ATOM 812 CD ARG A 55 -12.142 -3.337 5.023 1.00 0.00 C ATOM 813 NE ARG A 55 -11.031 -2.603 5.621 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.867 -2.457 6.931 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.737 -2.993 7.775 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.829 -1.774 7.400 1.00 0.00 N ATOM 0 H ARG A 55 -10.437 -6.609 3.628 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.991 -4.875 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.078 -4.632 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.806 -3.264 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.079 -2.842 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.543 -4.500 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.048 -2.734 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.327 -4.246 5.596 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.343 -2.179 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.535 -3.519 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.609 -2.879 8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.156 -1.361 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.704 -1.663 8.406 1.00 0.00 H new ATOM 830 N ILE A 56 -7.828 -4.998 2.410 1.00 0.00 N ATOM 831 CA ILE A 56 -6.455 -4.831 1.951 1.00 0.00 C ATOM 832 C ILE A 56 -6.017 -6.008 1.086 1.00 0.00 C ATOM 833 O ILE A 56 -5.727 -7.091 1.594 1.00 0.00 O ATOM 834 CB ILE A 56 -5.480 -4.687 3.135 1.00 0.00 C ATOM 835 CG1 ILE A 56 -6.014 -3.669 4.144 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.102 -4.275 2.638 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.509 -3.892 5.552 1.00 0.00 C ATOM 0 H ILE A 56 -7.919 -5.193 3.407 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.430 -3.918 1.356 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.392 -5.652 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.733 -2.667 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.103 -3.709 4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.424 -4.177 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.720 -5.033 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.173 -3.320 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.928 -3.134 6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.813 -4.881 5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.421 -3.822 5.564 1.00 0.00 H new ATOM 849 N SER A 57 -5.969 -5.786 -0.224 1.00 0.00 N ATOM 850 CA SER A 57 -5.568 -6.829 -1.161 1.00 0.00 C ATOM 851 C SER A 57 -4.280 -6.445 -1.883 1.00 0.00 C ATOM 852 O SER A 57 -4.193 -5.382 -2.498 1.00 0.00 O ATOM 853 CB SER A 57 -6.681 -7.084 -2.180 1.00 0.00 C ATOM 854 OG SER A 57 -7.608 -8.040 -1.694 1.00 0.00 O ATOM 0 H SER A 57 -6.203 -4.894 -0.660 1.00 0.00 H new ATOM 0 HA SER A 57 -5.388 -7.742 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.198 -6.150 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.248 -7.436 -3.116 1.00 0.00 H new ATOM 0 HG SER A 57 -8.310 -8.184 -2.362 1.00 0.00 H new ATOM 860 N VAL A 58 -3.281 -7.318 -1.803 1.00 0.00 N ATOM 861 CA VAL A 58 -1.997 -7.072 -2.448 1.00 0.00 C ATOM 862 C VAL A 58 -1.986 -7.614 -3.873 1.00 0.00 C ATOM 863 O VAL A 58 -1.684 -8.786 -4.102 1.00 0.00 O ATOM 864 CB VAL A 58 -0.840 -7.712 -1.659 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.479 -7.512 -2.388 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.773 -7.138 -0.252 1.00 0.00 C ATOM 0 H VAL A 58 -3.336 -8.202 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.857 -5.991 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.026 -8.783 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.285 -7.971 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.424 -7.976 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.675 -6.446 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.050 -7.602 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.612 -6.061 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.710 -7.339 0.268 1.00 0.00 H new ATOM 876 N LEU A 59 -2.317 -6.753 -4.830 1.00 0.00 N ATOM 877 CA LEU A 59 -2.345 -7.144 -6.235 1.00 0.00 C ATOM 878 C LEU A 59 -1.079 -7.905 -6.614 1.00 0.00 C ATOM 879 O LEU A 59 0.009 -7.600 -6.127 1.00 0.00 O ATOM 880 CB LEU A 59 -2.498 -5.910 -7.125 1.00 0.00 C ATOM 881 CG LEU A 59 -3.844 -5.189 -7.049 1.00 0.00 C ATOM 882 CD1 LEU A 59 -4.089 -4.380 -8.313 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.971 -6.187 -6.825 1.00 0.00 C ATOM 0 H LEU A 59 -2.570 -5.780 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.201 -7.802 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.713 -5.200 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.327 -6.209 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.820 -4.502 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.052 -3.874 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.298 -3.639 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.093 -5.046 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.922 -5.657 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.997 -6.898 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.803 -6.722 -5.890 1.00 0.00 H new ATOM 895 N ASN A 60 -1.229 -8.896 -7.487 1.00 0.00 N ATOM 896 CA ASN A 60 -0.097 -9.700 -7.932 1.00 0.00 C ATOM 897 C ASN A 60 1.133 -8.827 -8.164 1.00 0.00 C ATOM 898 O ASN A 60 2.239 -9.170 -7.747 1.00 0.00 O ATOM 899 CB ASN A 60 -0.452 -10.451 -9.217 1.00 0.00 C ATOM 900 CG ASN A 60 -1.315 -9.624 -10.150 1.00 0.00 C ATOM 901 OD1 ASN A 60 -2.443 -9.265 -9.815 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.786 -9.318 -11.329 1.00 0.00 N ATOM 0 H ASN A 60 -2.123 -9.161 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 60 0.134 -10.422 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.465 -10.737 -9.732 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.976 -11.373 -8.963 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.319 -8.764 -11.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.154 -9.637 -11.565 1.00 0.00 H new ATOM 909 N ASP A 61 0.931 -7.696 -8.831 1.00 0.00 N ATOM 910 CA ASP A 61 2.022 -6.772 -9.117 1.00 0.00 C ATOM 911 C ASP A 61 2.623 -6.223 -7.827 1.00 0.00 C ATOM 912 O ASP A 61 3.828 -5.994 -7.739 1.00 0.00 O ATOM 913 CB ASP A 61 1.527 -5.620 -9.994 1.00 0.00 C ATOM 914 CG ASP A 61 2.664 -4.859 -10.647 1.00 0.00 C ATOM 915 OD1 ASP A 61 3.648 -4.545 -9.946 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.570 -4.578 -11.861 1.00 0.00 O ATOM 0 H ASP A 61 0.022 -7.397 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 61 2.797 -7.320 -9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.866 -6.013 -10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.936 -4.934 -9.388 1.00 0.00 H new ATOM 921 N GLY A 62 1.772 -6.014 -6.826 1.00 0.00 N ATOM 922 CA GLY A 62 2.237 -5.493 -5.554 1.00 0.00 C ATOM 923 C GLY A 62 1.359 -4.375 -5.030 1.00 0.00 C ATOM 924 O GLY A 62 1.380 -4.064 -3.838 1.00 0.00 O ATOM 0 H GLY A 62 0.770 -6.196 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.266 -6.301 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.258 -5.127 -5.666 1.00 0.00 H new ATOM 928 N THR A 63 0.584 -3.765 -5.921 1.00 0.00 N ATOM 929 CA THR A 63 -0.303 -2.673 -5.543 1.00 0.00 C ATOM 930 C THR A 63 -1.258 -3.099 -4.433 1.00 0.00 C ATOM 931 O THR A 63 -1.846 -4.180 -4.488 1.00 0.00 O ATOM 932 CB THR A 63 -1.124 -2.173 -6.747 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.246 -1.733 -7.789 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.045 -1.033 -6.338 1.00 0.00 C ATOM 0 H THR A 63 0.553 -4.009 -6.911 1.00 0.00 H new ATOM 0 HA THR A 63 0.330 -1.862 -5.183 1.00 0.00 H new ATOM 0 HB THR A 63 -1.734 -2.999 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.775 -1.418 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.614 -0.697 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.731 -1.379 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.450 -0.206 -5.951 1.00 0.00 H new ATOM 942 N LEU A 64 -1.408 -2.244 -3.428 1.00 0.00 N ATOM 943 CA LEU A 64 -2.293 -2.532 -2.305 1.00 0.00 C ATOM 944 C LEU A 64 -3.663 -1.893 -2.513 1.00 0.00 C ATOM 945 O LEU A 64 -3.825 -0.684 -2.355 1.00 0.00 O ATOM 946 CB LEU A 64 -1.675 -2.026 -1.000 1.00 0.00 C ATOM 947 CG LEU A 64 -2.186 -2.681 0.283 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.689 -4.115 0.385 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.754 -1.878 1.501 1.00 0.00 C ATOM 0 H LEU A 64 -0.928 -1.346 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.422 -3.613 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.596 -2.170 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.850 -0.952 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.275 -2.697 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.063 -4.565 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.048 -4.686 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.599 -4.123 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.127 -2.359 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.666 -1.830 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.160 -0.868 1.434 1.00 0.00 H new ATOM 961 N ASN A 65 -4.646 -2.715 -2.866 1.00 0.00 N ATOM 962 CA ASN A 65 -6.003 -2.230 -3.094 1.00 0.00 C ATOM 963 C ASN A 65 -6.826 -2.294 -1.810 1.00 0.00 C ATOM 964 O ASN A 65 -6.547 -3.097 -0.920 1.00 0.00 O ATOM 965 CB ASN A 65 -6.683 -3.053 -4.190 1.00 0.00 C ATOM 966 CG ASN A 65 -8.153 -2.713 -4.340 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.951 -2.944 -3.431 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.518 -2.160 -5.491 1.00 0.00 N ATOM 0 H ASN A 65 -4.529 -3.719 -3.000 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.942 -1.190 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.174 -2.881 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.580 -4.114 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.494 -1.909 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.823 -1.987 -6.217 1.00 0.00 H new ATOM 975 N PHE A 66 -7.841 -1.441 -1.723 1.00 0.00 N ATOM 976 CA PHE A 66 -8.705 -1.399 -0.549 1.00 0.00 C ATOM 977 C PHE A 66 -10.176 -1.387 -0.956 1.00 0.00 C ATOM 978 O PHE A 66 -10.704 -0.360 -1.383 1.00 0.00 O ATOM 979 CB PHE A 66 -8.389 -0.166 0.300 1.00 0.00 C ATOM 980 CG PHE A 66 -7.014 -0.191 0.905 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.887 -0.143 0.100 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.849 -0.264 2.279 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.621 -0.166 0.653 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.585 -0.287 2.838 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.470 -0.239 2.024 1.00 0.00 C ATOM 0 H PHE A 66 -8.085 -0.770 -2.451 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.517 -2.296 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.489 0.726 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.127 -0.085 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.000 -0.087 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.717 -0.303 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.751 -0.127 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.469 -0.342 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.482 -0.259 2.459 1.00 0.00 H new ATOM 995 N SER A 67 -10.831 -2.535 -0.821 1.00 0.00 N ATOM 996 CA SER A 67 -12.239 -2.659 -1.179 1.00 0.00 C ATOM 997 C SER A 67 -13.029 -1.445 -0.700 1.00 0.00 C ATOM 998 O SER A 67 -13.689 -0.768 -1.489 1.00 0.00 O ATOM 999 CB SER A 67 -12.830 -3.936 -0.578 1.00 0.00 C ATOM 1000 OG SER A 67 -14.205 -4.060 -0.895 1.00 0.00 O ATOM 0 H SER A 67 -10.409 -3.393 -0.466 1.00 0.00 H new ATOM 0 HA SER A 67 -12.309 -2.712 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.287 -4.803 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.703 -3.925 0.504 1.00 0.00 H new ATOM 0 HG SER A 67 -14.559 -4.885 -0.501 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.958 -1.176 0.600 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.666 -0.043 1.186 1.00 0.00 C ATOM 1008 C HIS A 68 -12.907 0.509 2.390 1.00 0.00 C ATOM 1009 O HIS A 68 -12.909 -0.090 3.465 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.077 -0.458 1.605 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.101 -1.542 2.638 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.351 -1.493 3.967 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.846 -2.865 2.346 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.244 -2.774 4.449 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.939 -3.583 3.451 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.418 -1.727 1.267 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.734 0.741 0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.603 0.414 1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.624 -0.794 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.608 -3.254 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.386 -3.072 5.477 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.799 -4.591 3.521 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.259 1.653 2.200 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.496 2.286 3.270 1.00 0.00 C ATOM 1026 C VAL A 69 -12.420 2.873 4.331 1.00 0.00 C ATOM 1027 O VAL A 69 -13.500 3.377 4.019 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.584 3.401 2.725 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.536 2.822 1.786 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.409 4.468 2.023 1.00 0.00 C ATOM 0 H VAL A 69 -12.247 2.161 1.316 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.878 1.509 3.720 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.068 3.867 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.901 3.624 1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.925 2.097 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.030 2.329 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.748 5.248 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.954 4.019 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.117 4.903 2.728 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.989 2.806 5.585 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.778 3.332 6.694 1.00 0.00 C ATOM 1042 C LEU A 70 -12.028 4.450 7.413 1.00 0.00 C ATOM 1043 O LEU A 70 -10.798 4.510 7.378 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.117 2.213 7.680 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.645 0.916 7.067 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.499 -0.236 8.049 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -15.099 1.078 6.646 1.00 0.00 C ATOM 0 H LEU A 70 -11.098 2.393 5.860 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.703 3.742 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.222 1.981 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.861 2.588 8.383 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.053 0.689 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.880 -1.151 7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.447 -0.367 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.065 -0.017 8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.458 0.145 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.704 1.330 7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.177 1.876 5.907 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.777 5.331 8.067 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.183 6.446 8.797 1.00 0.00 C ATOM 1061 C LEU A 71 -11.015 5.974 9.657 1.00 0.00 C ATOM 1062 O LEU A 71 -9.992 6.651 9.759 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.236 7.124 9.676 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.386 7.810 8.937 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.358 8.436 9.925 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.850 8.861 7.975 1.00 0.00 C ATOM 0 H LEU A 71 -13.796 5.295 8.107 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.807 7.165 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.657 6.375 10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.737 7.866 10.299 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.922 7.057 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.169 8.919 9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.767 7.661 10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.835 9.177 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.682 9.339 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.289 9.612 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.194 8.386 7.245 1.00 0.00 H new ATOM 1078 N SER A 72 -11.174 4.806 10.273 1.00 0.00 N ATOM 1079 CA SER A 72 -10.134 4.243 11.125 1.00 0.00 C ATOM 1080 C SER A 72 -8.888 3.908 10.311 1.00 0.00 C ATOM 1081 O SER A 72 -7.763 4.050 10.791 1.00 0.00 O ATOM 1082 CB SER A 72 -10.648 2.988 11.833 1.00 0.00 C ATOM 1083 OG SER A 72 -9.887 2.711 12.996 1.00 0.00 O ATOM 0 H SER A 72 -12.014 4.232 10.197 1.00 0.00 H new ATOM 0 HA SER A 72 -9.868 4.990 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.695 3.122 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.601 2.138 11.153 1.00 0.00 H new ATOM 0 HG SER A 72 -10.236 1.905 13.431 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.097 3.460 9.078 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.992 3.105 8.196 1.00 0.00 C ATOM 1091 C ASP A 73 -7.034 4.280 8.023 1.00 0.00 C ATOM 1092 O ASP A 73 -5.850 4.094 7.742 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.523 2.658 6.833 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.390 1.419 6.927 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.889 1.125 8.034 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.572 0.743 5.893 1.00 0.00 O ATOM 0 H ASP A 73 -10.022 3.334 8.667 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.446 2.280 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.100 3.469 6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.684 2.461 6.166 1.00 0.00 H new ATOM 1101 N THR A 74 -7.556 5.491 8.192 1.00 0.00 N ATOM 1102 CA THR A 74 -6.748 6.696 8.052 1.00 0.00 C ATOM 1103 C THR A 74 -5.468 6.599 8.874 1.00 0.00 C ATOM 1104 O THR A 74 -5.509 6.338 10.076 1.00 0.00 O ATOM 1105 CB THR A 74 -7.531 7.950 8.488 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.670 8.135 7.641 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.646 9.186 8.435 1.00 0.00 C ATOM 0 H THR A 74 -8.534 5.663 8.426 1.00 0.00 H new ATOM 0 HA THR A 74 -6.492 6.784 6.996 1.00 0.00 H new ATOM 0 HB THR A 74 -7.863 7.805 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.479 7.845 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.220 10.058 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.795 9.053 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.287 9.333 7.416 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.331 6.811 8.218 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.055 6.743 8.904 1.00 0.00 C ATOM 1117 C GLY A 75 -1.879 6.792 7.949 1.00 0.00 C ATOM 1118 O GLY A 75 -1.927 7.480 6.929 1.00 0.00 O ATOM 0 H GLY A 75 -4.271 7.029 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.981 7.571 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.008 5.823 9.486 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.819 6.062 8.279 1.00 0.00 N ATOM 1123 CA VAL A 76 0.375 6.025 7.443 1.00 0.00 C ATOM 1124 C VAL A 76 0.773 4.591 7.116 1.00 0.00 C ATOM 1125 O VAL A 76 0.941 3.763 8.012 1.00 0.00 O ATOM 1126 CB VAL A 76 1.561 6.733 8.126 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.855 6.444 7.382 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.308 8.230 8.214 1.00 0.00 C ATOM 0 H VAL A 76 -0.763 5.488 9.120 1.00 0.00 H new ATOM 0 HA VAL A 76 0.131 6.550 6.520 1.00 0.00 H new ATOM 0 HB VAL A 76 1.659 6.345 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.682 6.952 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.040 5.370 7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.773 6.803 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.156 8.714 8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.183 8.637 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.404 8.413 8.795 1.00 0.00 H new ATOM 1138 N TYR A 77 0.923 4.303 5.828 1.00 0.00 N ATOM 1139 CA TYR A 77 1.300 2.967 5.382 1.00 0.00 C ATOM 1140 C TYR A 77 2.752 2.938 4.915 1.00 0.00 C ATOM 1141 O TYR A 77 3.319 3.966 4.545 1.00 0.00 O ATOM 1142 CB TYR A 77 0.380 2.506 4.251 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.067 2.364 4.667 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.869 3.483 4.856 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.632 1.111 4.869 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.191 3.358 5.237 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -2.954 0.976 5.249 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.729 2.102 5.432 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.046 1.974 5.810 1.00 0.00 O ATOM 0 H TYR A 77 0.789 4.977 5.074 1.00 0.00 H new ATOM 0 HA TYR A 77 1.195 2.287 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.445 3.218 3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.736 1.548 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.452 4.467 4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.028 0.227 4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.800 4.238 5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.378 -0.006 5.402 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.275 2.685 6.444 1.00 0.00 H new ATOM 1159 N THR A 78 3.350 1.751 4.935 1.00 0.00 N ATOM 1160 CA THR A 78 4.735 1.585 4.515 1.00 0.00 C ATOM 1161 C THR A 78 4.901 0.346 3.643 1.00 0.00 C ATOM 1162 O THR A 78 4.298 -0.695 3.906 1.00 0.00 O ATOM 1163 CB THR A 78 5.681 1.477 5.727 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.524 2.620 6.574 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.129 1.368 5.275 1.00 0.00 C ATOM 0 H THR A 78 2.896 0.890 5.238 1.00 0.00 H new ATOM 0 HA THR A 78 4.998 2.471 3.936 1.00 0.00 H new ATOM 0 HB THR A 78 5.422 0.576 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.127 2.543 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.778 1.293 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.251 0.480 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.398 2.253 4.698 1.00 0.00 H new ATOM 1173 N CYS A 79 5.722 0.464 2.605 1.00 0.00 N ATOM 1174 CA CYS A 79 5.968 -0.648 1.694 1.00 0.00 C ATOM 1175 C CYS A 79 7.352 -1.245 1.925 1.00 0.00 C ATOM 1176 O CYS A 79 8.318 -0.523 2.166 1.00 0.00 O ATOM 1177 CB CYS A 79 5.835 -0.183 0.243 1.00 0.00 C ATOM 1178 SG CYS A 79 5.975 -1.513 -0.974 1.00 0.00 S ATOM 0 H CYS A 79 6.228 1.319 2.374 1.00 0.00 H new ATOM 0 HA CYS A 79 5.223 -1.419 1.891 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.871 0.310 0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.603 0.563 0.040 1.00 0.00 H new ATOM 0 HG CYS A 79 5.847 -1.021 -2.171 1.00 0.00 H new ATOM 1184 N MET A 80 7.438 -2.569 1.852 1.00 0.00 N ATOM 1185 CA MET A 80 8.705 -3.264 2.053 1.00 0.00 C ATOM 1186 C MET A 80 9.155 -3.957 0.771 1.00 0.00 C ATOM 1187 O MET A 80 8.337 -4.487 0.019 1.00 0.00 O ATOM 1188 CB MET A 80 8.574 -4.289 3.182 1.00 0.00 C ATOM 1189 CG MET A 80 7.979 -3.716 4.458 1.00 0.00 C ATOM 1190 SD MET A 80 8.042 -4.878 5.836 1.00 0.00 S ATOM 1191 CE MET A 80 6.823 -4.162 6.937 1.00 0.00 C ATOM 0 H MET A 80 6.647 -3.182 1.655 1.00 0.00 H new ATOM 0 HA MET A 80 9.457 -2.525 2.328 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.952 -5.116 2.840 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.558 -4.701 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.517 -2.807 4.729 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.943 -3.431 4.275 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.976 -4.544 7.946 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.928 -3.077 6.940 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.823 -4.429 6.595 1.00 0.00 H new ATOM 1201 N VAL A 81 10.462 -3.948 0.527 1.00 0.00 N ATOM 1202 CA VAL A 81 11.021 -4.576 -0.664 1.00 0.00 C ATOM 1203 C VAL A 81 12.307 -5.326 -0.337 1.00 0.00 C ATOM 1204 O VAL A 81 13.315 -4.723 0.033 1.00 0.00 O ATOM 1205 CB VAL A 81 11.312 -3.536 -1.763 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.886 -4.211 -2.999 1.00 0.00 C ATOM 1207 CG2 VAL A 81 10.050 -2.759 -2.107 1.00 0.00 C ATOM 0 H VAL A 81 11.153 -3.513 1.138 1.00 0.00 H new ATOM 0 HA VAL A 81 10.275 -5.281 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 81 12.054 -2.832 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.085 -3.461 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.815 -4.719 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.170 -4.938 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.273 -2.029 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.285 -3.448 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.687 -2.243 -1.218 1.00 0.00 H new ATOM 1217 N THR A 82 12.267 -6.648 -0.477 1.00 0.00 N ATOM 1218 CA THR A 82 13.429 -7.482 -0.197 1.00 0.00 C ATOM 1219 C THR A 82 13.920 -8.183 -1.458 1.00 0.00 C ATOM 1220 O THR A 82 13.176 -8.928 -2.095 1.00 0.00 O ATOM 1221 CB THR A 82 13.113 -8.541 0.876 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.605 -7.908 2.056 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.356 -9.347 1.223 1.00 0.00 C ATOM 0 H THR A 82 11.442 -7.164 -0.783 1.00 0.00 H new ATOM 0 HA THR A 82 14.211 -6.820 0.174 1.00 0.00 H new ATOM 0 HB THR A 82 12.359 -9.218 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.405 -8.589 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.109 -10.088 1.983 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.724 -9.852 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.128 -8.679 1.606 1.00 0.00 H new ATOM 1231 N ASN A 83 15.178 -7.940 -1.813 1.00 0.00 N ATOM 1232 CA ASN A 83 15.768 -8.549 -2.999 1.00 0.00 C ATOM 1233 C ASN A 83 17.232 -8.904 -2.757 1.00 0.00 C ATOM 1234 O ASN A 83 18.007 -8.084 -2.264 1.00 0.00 O ATOM 1235 CB ASN A 83 15.652 -7.603 -4.195 1.00 0.00 C ATOM 1236 CG ASN A 83 16.174 -8.224 -5.477 1.00 0.00 C ATOM 1237 OD1 ASN A 83 17.354 -8.558 -5.582 1.00 0.00 O ATOM 1238 ND2 ASN A 83 15.294 -8.380 -6.459 1.00 0.00 N ATOM 0 H ASN A 83 15.808 -7.326 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 83 15.221 -9.467 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.608 -7.320 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.206 -6.688 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.586 -8.791 -7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.326 -8.088 -6.327 1.00 0.00 H new ATOM 1245 N VAL A 84 17.605 -10.130 -3.108 1.00 0.00 N ATOM 1246 CA VAL A 84 18.976 -10.593 -2.931 1.00 0.00 C ATOM 1247 C VAL A 84 19.971 -9.457 -3.138 1.00 0.00 C ATOM 1248 O VAL A 84 20.952 -9.336 -2.405 1.00 0.00 O ATOM 1249 CB VAL A 84 19.312 -11.739 -3.904 1.00 0.00 C ATOM 1250 CG1 VAL A 84 19.254 -11.250 -5.344 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.679 -12.325 -3.585 1.00 0.00 C ATOM 0 H VAL A 84 16.976 -10.821 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 84 19.056 -10.960 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 84 18.568 -12.526 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.494 -12.073 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.252 -10.882 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.975 -10.444 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.900 -13.133 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.438 -11.548 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.680 -12.714 -2.567 1.00 0.00 H new ATOM 1261 N ALA A 85 19.710 -8.625 -4.141 1.00 0.00 N ATOM 1262 CA ALA A 85 20.581 -7.496 -4.444 1.00 0.00 C ATOM 1263 C ALA A 85 20.508 -6.438 -3.349 1.00 0.00 C ATOM 1264 O ALA A 85 21.533 -5.981 -2.844 1.00 0.00 O ATOM 1265 CB ALA A 85 20.212 -6.891 -5.790 1.00 0.00 C ATOM 0 H ALA A 85 18.902 -8.712 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 85 21.606 -7.862 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.871 -6.049 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 85 20.322 -7.644 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 85 19.179 -6.545 -5.763 1.00 0.00 H new ATOM 1271 N GLY A 86 19.289 -6.051 -2.985 1.00 0.00 N ATOM 1272 CA GLY A 86 19.106 -5.049 -1.952 1.00 0.00 C ATOM 1273 C GLY A 86 17.674 -4.981 -1.457 1.00 0.00 C ATOM 1274 O GLY A 86 16.804 -5.692 -1.956 1.00 0.00 O ATOM 0 H GLY A 86 18.425 -6.414 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.767 -5.271 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.400 -4.074 -2.340 1.00 0.00 H new ATOM 1278 N ASN A 87 17.431 -4.123 -0.472 1.00 0.00 N ATOM 1279 CA ASN A 87 16.095 -3.966 0.092 1.00 0.00 C ATOM 1280 C ASN A 87 15.777 -2.494 0.336 1.00 0.00 C ATOM 1281 O ASN A 87 16.641 -1.721 0.749 1.00 0.00 O ATOM 1282 CB ASN A 87 15.977 -4.749 1.401 1.00 0.00 C ATOM 1283 CG ASN A 87 16.961 -4.271 2.452 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.922 -3.566 2.143 1.00 0.00 O ATOM 1285 ND2 ASN A 87 16.724 -4.653 3.701 1.00 0.00 N ATOM 0 H ASN A 87 18.141 -3.526 -0.048 1.00 0.00 H new ATOM 0 HA ASN A 87 15.376 -4.360 -0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.962 -4.654 1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.146 -5.808 1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.351 -4.362 4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.915 -5.238 3.911 1.00 0.00 H new ATOM 1292 N SER A 88 14.529 -2.113 0.078 1.00 0.00 N ATOM 1293 CA SER A 88 14.097 -0.734 0.267 1.00 0.00 C ATOM 1294 C SER A 88 12.656 -0.679 0.765 1.00 0.00 C ATOM 1295 O SER A 88 11.948 -1.685 0.760 1.00 0.00 O ATOM 1296 CB SER A 88 14.226 0.047 -1.043 1.00 0.00 C ATOM 1297 OG SER A 88 14.185 1.444 -0.810 1.00 0.00 O ATOM 0 H SER A 88 13.800 -2.740 -0.262 1.00 0.00 H new ATOM 0 HA SER A 88 14.740 -0.278 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.162 -0.215 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.420 -0.236 -1.720 1.00 0.00 H new ATOM 0 HG SER A 88 15.071 1.829 -0.973 1.00 0.00 H new ATOM 1303 N ASN A 89 12.229 0.504 1.194 1.00 0.00 N ATOM 1304 CA ASN A 89 10.873 0.691 1.696 1.00 0.00 C ATOM 1305 C ASN A 89 10.411 2.131 1.492 1.00 0.00 C ATOM 1306 O ASN A 89 11.226 3.039 1.336 1.00 0.00 O ATOM 1307 CB ASN A 89 10.801 0.327 3.180 1.00 0.00 C ATOM 1308 CG ASN A 89 11.755 1.150 4.024 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.945 0.847 4.110 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.234 2.197 4.653 1.00 0.00 N ATOM 0 H ASN A 89 12.802 1.347 1.204 1.00 0.00 H new ATOM 0 HA ASN A 89 10.211 0.032 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.782 0.475 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.031 -0.731 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.826 2.788 5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.242 2.410 4.553 1.00 0.00 H new ATOM 1317 N ALA A 90 9.097 2.331 1.494 1.00 0.00 N ATOM 1318 CA ALA A 90 8.526 3.660 1.312 1.00 0.00 C ATOM 1319 C ALA A 90 7.382 3.904 2.290 1.00 0.00 C ATOM 1320 O ALA A 90 6.934 2.987 2.978 1.00 0.00 O ATOM 1321 CB ALA A 90 8.045 3.835 -0.121 1.00 0.00 C ATOM 0 H ALA A 90 8.408 1.590 1.620 1.00 0.00 H new ATOM 0 HA ALA A 90 9.305 4.395 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.621 4.832 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.885 3.712 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.284 3.087 -0.343 1.00 0.00 H new ATOM 1327 N SER A 91 6.914 5.147 2.347 1.00 0.00 N ATOM 1328 CA SER A 91 5.825 5.514 3.244 1.00 0.00 C ATOM 1329 C SER A 91 4.807 6.398 2.531 1.00 0.00 C ATOM 1330 O SER A 91 5.103 6.991 1.494 1.00 0.00 O ATOM 1331 CB SER A 91 6.372 6.238 4.476 1.00 0.00 C ATOM 1332 OG SER A 91 7.342 7.204 4.110 1.00 0.00 O ATOM 0 H SER A 91 7.272 5.917 1.782 1.00 0.00 H new ATOM 0 HA SER A 91 5.326 4.599 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.555 6.723 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.815 5.514 5.160 1.00 0.00 H new ATOM 0 HG SER A 91 7.675 7.654 4.914 1.00 0.00 H new ATOM 1338 N ALA A 92 3.606 6.480 3.094 1.00 0.00 N ATOM 1339 CA ALA A 92 2.544 7.293 2.514 1.00 0.00 C ATOM 1340 C ALA A 92 1.370 7.431 3.477 1.00 0.00 C ATOM 1341 O ALA A 92 1.250 6.670 4.437 1.00 0.00 O ATOM 1342 CB ALA A 92 2.080 6.693 1.195 1.00 0.00 C ATOM 0 H ALA A 92 3.344 5.993 3.951 1.00 0.00 H new ATOM 0 HA ALA A 92 2.945 8.289 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.287 7.310 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.918 6.653 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.703 5.685 1.367 1.00 0.00 H new ATOM 1348 N TYR A 93 0.506 8.405 3.214 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.657 8.644 4.060 1.00 0.00 C ATOM 1350 C TYR A 93 -1.950 8.389 3.292 1.00 0.00 C ATOM 1351 O TYR A 93 -1.964 8.383 2.060 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.641 10.078 4.592 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.703 10.349 5.633 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -1.484 10.047 6.972 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -2.926 10.907 5.280 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -2.451 10.292 7.927 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.898 11.157 6.228 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.656 10.848 7.551 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.623 11.094 8.498 1.00 0.00 O ATOM 0 H TYR A 93 0.589 9.042 2.422 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.612 7.951 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.339 10.286 5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.777 10.767 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.541 9.613 7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.119 11.149 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.265 10.050 8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.842 11.592 5.936 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.302 11.694 8.124 1.00 0.00 H new ATOM 1369 N LEU A 94 -3.036 8.179 4.028 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.337 7.924 3.418 1.00 0.00 C ATOM 1371 C LEU A 94 -5.454 8.578 4.224 1.00 0.00 C ATOM 1372 O LEU A 94 -5.800 8.117 5.311 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.584 6.418 3.309 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.019 5.996 2.990 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.258 6.011 1.488 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.308 4.616 3.563 1.00 0.00 C ATOM 0 H LEU A 94 -3.042 8.180 5.048 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.334 8.359 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.928 6.017 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.290 5.952 4.250 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.699 6.711 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.284 5.708 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.092 7.017 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.570 5.319 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.333 4.331 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.621 3.890 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.177 4.637 4.645 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.016 9.654 3.682 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.096 10.371 4.350 1.00 0.00 C ATOM 1390 C ASN A 95 -8.453 9.778 3.981 1.00 0.00 C ATOM 1391 O ASN A 95 -8.757 9.582 2.804 1.00 0.00 O ATOM 1392 CB ASN A 95 -7.057 11.854 3.980 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.206 12.633 4.591 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.888 12.149 5.494 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.425 13.847 4.100 1.00 0.00 N ATOM 0 H ASN A 95 -5.741 10.048 2.782 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.955 10.268 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.112 12.284 4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.089 11.956 2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.184 14.418 4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.834 14.208 3.351 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.265 9.495 4.994 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.589 8.926 4.777 1.00 0.00 C ATOM 1404 C VAL A 96 -11.676 9.830 5.349 1.00 0.00 C ATOM 1405 O VAL A 96 -11.750 10.038 6.560 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.712 7.528 5.412 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.112 6.970 5.209 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.664 6.588 4.836 1.00 0.00 C ATOM 0 H VAL A 96 -9.029 9.651 5.974 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.723 8.839 3.699 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.536 7.618 6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.179 5.982 5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.840 7.635 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.322 6.893 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.765 5.605 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.806 6.501 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.669 6.983 5.040 1.00 0.00 H new ATOM 1418 N SER A 97 -12.518 10.363 4.470 1.00 0.00 N ATOM 1419 CA SER A 97 -13.600 11.247 4.887 1.00 0.00 C ATOM 1420 C SER A 97 -14.939 10.517 4.861 1.00 0.00 C ATOM 1421 O SER A 97 -15.285 9.866 3.875 1.00 0.00 O ATOM 1422 CB SER A 97 -13.659 12.478 3.980 1.00 0.00 C ATOM 1423 OG SER A 97 -14.775 13.292 4.297 1.00 0.00 O ATOM 0 H SER A 97 -12.472 10.198 3.464 1.00 0.00 H new ATOM 0 HA SER A 97 -13.401 11.567 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.741 13.056 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.719 12.163 2.938 1.00 0.00 H new ATOM 0 HG SER A 97 -14.789 14.073 3.705 1.00 0.00 H new ATOM 1429 N SER A 98 -15.689 10.631 5.952 1.00 0.00 N ATOM 1430 CA SER A 98 -16.989 9.979 6.058 1.00 0.00 C ATOM 1431 C SER A 98 -18.007 10.643 5.135 1.00 0.00 C ATOM 1432 O SER A 98 -17.703 11.631 4.467 1.00 0.00 O ATOM 1433 CB SER A 98 -17.489 10.021 7.503 1.00 0.00 C ATOM 1434 OG SER A 98 -17.386 11.329 8.040 1.00 0.00 O ATOM 0 H SER A 98 -15.419 11.169 6.775 1.00 0.00 H new ATOM 0 HA SER A 98 -16.872 8.939 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.526 9.689 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.909 9.328 8.112 1.00 0.00 H new ATOM 0 HG SER A 98 -17.713 11.330 8.964 1.00 0.00 H new ATOM 1440 N GLY A 99 -19.217 10.093 5.105 1.00 0.00 N ATOM 1441 CA GLY A 99 -20.261 10.645 4.262 1.00 0.00 C ATOM 1442 C GLY A 99 -21.566 10.841 5.009 1.00 0.00 C ATOM 1443 O GLY A 99 -21.716 10.427 6.158 1.00 0.00 O ATOM 0 H GLY A 99 -19.493 9.275 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.930 11.602 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.428 9.981 3.414 1.00 0.00 H new ATOM 1447 N PRO A 100 -22.538 11.489 4.350 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.853 11.755 4.940 1.00 0.00 C ATOM 1449 C PRO A 100 -24.680 10.485 5.110 1.00 0.00 C ATOM 1450 O PRO A 100 -25.101 9.871 4.130 1.00 0.00 O ATOM 1451 CB PRO A 100 -24.514 12.691 3.925 1.00 0.00 C ATOM 1452 CG PRO A 100 -23.844 12.382 2.631 1.00 0.00 C ATOM 1453 CD PRO A 100 -22.428 12.010 2.977 1.00 0.00 C ATOM 0 HA PRO A 100 -23.772 12.178 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -25.588 12.516 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -24.376 13.736 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -24.348 11.564 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -23.869 13.243 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -22.031 11.260 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -21.762 12.872 2.926 1.00 0.00 H new ATOM 1461 N SER A 101 -24.909 10.097 6.361 1.00 0.00 N ATOM 1462 CA SER A 101 -25.683 8.898 6.659 1.00 0.00 C ATOM 1463 C SER A 101 -26.679 9.160 7.785 1.00 0.00 C ATOM 1464 O SER A 101 -26.291 9.459 8.915 1.00 0.00 O ATOM 1465 CB SER A 101 -24.752 7.747 7.045 1.00 0.00 C ATOM 1466 OG SER A 101 -23.985 7.318 5.933 1.00 0.00 O ATOM 0 H SER A 101 -24.570 10.595 7.184 1.00 0.00 H new ATOM 0 HA SER A 101 -26.238 8.622 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.088 8.066 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 101 -25.339 6.913 7.429 1.00 0.00 H new ATOM 0 HG SER A 101 -23.397 6.583 6.205 1.00 0.00 H new ATOM 1472 N SER A 102 -27.964 9.047 7.468 1.00 0.00 N ATOM 1473 CA SER A 102 -29.017 9.275 8.451 1.00 0.00 C ATOM 1474 C SER A 102 -28.666 8.624 9.785 1.00 0.00 C ATOM 1475 O SER A 102 -28.109 7.528 9.826 1.00 0.00 O ATOM 1476 CB SER A 102 -30.350 8.726 7.938 1.00 0.00 C ATOM 1477 OG SER A 102 -31.038 9.696 7.168 1.00 0.00 O ATOM 0 H SER A 102 -28.302 8.799 6.538 1.00 0.00 H new ATOM 0 HA SER A 102 -29.109 10.350 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 102 -30.172 7.837 7.334 1.00 0.00 H new ATOM 0 HB3 SER A 102 -30.970 8.420 8.781 1.00 0.00 H new ATOM 0 HG SER A 102 -31.886 9.320 6.850 1.00 0.00 H new ATOM 1483 N GLY A 103 -28.995 9.309 10.876 1.00 0.00 N ATOM 1484 CA GLY A 103 -28.707 8.783 12.197 1.00 0.00 C ATOM 1485 C GLY A 103 -29.694 7.715 12.624 1.00 0.00 C ATOM 1486 O GLY A 103 -29.364 6.841 13.426 1.00 0.00 O ATOM 0 H GLY A 103 -29.456 10.219 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -27.700 8.367 12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -28.723 9.598 12.921 1.00 0.00 H new TER 1490 GLY A 103