USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 32 CYS SG : rot -160:sc= -1.2 USER MOD Set 1.2: A 76 GLN : amide:sc= -5.89! C(o=-7.1!,f=-12!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.03) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -33:sc= 0.0596! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 60:sc= 1.1 USER MOD Single : A 14 THR OG1 : rot 45:sc= 0.354 USER MOD Single : A 15 GLN : amide:sc= -0.228 K(o=-0.23,f=-0.84) USER MOD Single : A 17 GLN : amide:sc= -0.0416 K(o=-0.042,f=1.7) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -15:sc= 0.211 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 48 GLN : amide:sc= -3.99 K(o=-4,f=-6.7!) USER MOD Single : A 51 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.49) USER MOD Single : A 77 SER OG : rot -17:sc= 2.09 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0849 X(o=-0.085,f=-0.43) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 49:sc= -0.582 USER MOD Single : A 95 THR OG1 : rot -90:sc= -0.798 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 150:sc= 1.22 USER MOD Single : A 105 THR OG1 : rot 105:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.344 -0.645 -2.825 1.00 12.52 N ATOM 2 CA GLN A 1 3.007 -0.313 -3.303 1.00 34.44 C ATOM 3 C GLN A 1 3.073 0.650 -4.483 1.00 3.43 C ATOM 4 O GLN A 1 3.751 1.675 -4.422 1.00 5.42 O ATOM 5 CB GLN A 1 2.176 0.300 -2.174 1.00 3.31 C ATOM 6 CG GLN A 1 1.169 -0.663 -1.566 1.00 45.02 C ATOM 7 CD GLN A 1 -0.051 0.043 -1.009 1.00 42.10 C ATOM 8 OE1 GLN A 1 0.032 0.751 -0.005 1.00 52.31 O ATOM 9 NE2 GLN A 1 -1.193 -0.146 -1.659 1.00 70.33 N ATOM 0 H1 GLN A 1 4.272 -1.302 -2.022 1.00 12.52 H new ATOM 0 H2 GLN A 1 4.885 -1.093 -3.592 1.00 12.52 H new ATOM 0 H3 GLN A 1 4.829 0.223 -2.520 1.00 12.52 H new ATOM 0 HA GLN A 1 2.530 -1.234 -3.637 1.00 34.44 H new ATOM 0 HB2 GLN A 1 2.847 0.653 -1.391 1.00 3.31 H new ATOM 0 HB3 GLN A 1 1.646 1.172 -2.557 1.00 3.31 H new ATOM 0 HG2 GLN A 1 0.854 -1.380 -2.324 1.00 45.02 H new ATOM 0 HG3 GLN A 1 1.650 -1.231 -0.770 1.00 45.02 H new ATOM 0 HE21 GLN A 1 -1.216 -0.741 -2.487 1.00 70.33 H new ATOM 0 HE22 GLN A 1 -2.047 0.304 -1.330 1.00 70.33 H new ATOM 18 N ALA A 2 2.365 0.314 -5.556 1.00 23.12 N ATOM 19 CA ALA A 2 2.343 1.150 -6.749 1.00 50.34 C ATOM 20 C ALA A 2 1.333 0.630 -7.766 1.00 34.51 C ATOM 21 O ALA A 2 0.562 -0.286 -7.477 1.00 3.54 O ATOM 22 CB ALA A 2 3.730 1.221 -7.370 1.00 43.40 C ATOM 0 H ALA A 2 1.799 -0.532 -5.623 1.00 23.12 H new ATOM 0 HA ALA A 2 2.037 2.153 -6.453 1.00 50.34 H new ATOM 0 HB1 ALA A 2 3.698 1.849 -8.260 1.00 43.40 H new ATOM 0 HB2 ALA A 2 4.429 1.647 -6.650 1.00 43.40 H new ATOM 0 HB3 ALA A 2 4.057 0.218 -7.645 1.00 43.40 H new ATOM 28 N ALA A 3 1.341 1.219 -8.957 1.00 61.10 N ATOM 29 CA ALA A 3 0.426 0.813 -10.017 1.00 2.13 C ATOM 30 C ALA A 3 -1.023 1.077 -9.622 1.00 2.41 C ATOM 31 O ALA A 3 -1.584 0.377 -8.780 1.00 75.51 O ATOM 32 CB ALA A 3 0.624 -0.658 -10.350 1.00 65.04 C ATOM 0 H ALA A 3 1.971 1.979 -9.212 1.00 61.10 H new ATOM 0 HA ALA A 3 0.648 1.408 -10.903 1.00 2.13 H new ATOM 0 HB1 ALA A 3 -0.066 -0.948 -11.143 1.00 65.04 H new ATOM 0 HB2 ALA A 3 1.649 -0.821 -10.683 1.00 65.04 H new ATOM 0 HB3 ALA A 3 0.431 -1.261 -9.463 1.00 65.04 H new ATOM 38 N SER A 4 -1.622 2.093 -10.235 1.00 15.13 N ATOM 39 CA SER A 4 -3.005 2.453 -9.943 1.00 74.45 C ATOM 40 C SER A 4 -3.598 3.291 -11.072 1.00 3.31 C ATOM 41 O SER A 4 -3.462 4.515 -11.089 1.00 33.23 O ATOM 42 CB SER A 4 -3.087 3.222 -8.624 1.00 14.13 C ATOM 43 OG SER A 4 -2.254 2.636 -7.639 1.00 44.11 O ATOM 0 H SER A 4 -1.172 2.681 -10.936 1.00 15.13 H new ATOM 0 HA SER A 4 -3.583 1.533 -9.855 1.00 74.45 H new ATOM 0 HB2 SER A 4 -2.791 4.259 -8.785 1.00 14.13 H new ATOM 0 HB3 SER A 4 -4.118 3.236 -8.271 1.00 14.13 H new ATOM 0 HG SER A 4 -2.220 1.666 -7.775 1.00 44.11 H new ATOM 49 N VAL A 5 -4.255 2.624 -12.015 1.00 35.45 N ATOM 50 CA VAL A 5 -4.870 3.306 -13.147 1.00 32.20 C ATOM 51 C VAL A 5 -6.391 3.227 -13.076 1.00 71.15 C ATOM 52 O VAL A 5 -6.955 2.166 -12.810 1.00 52.31 O ATOM 53 CB VAL A 5 -4.398 2.709 -14.486 1.00 24.22 C ATOM 54 CG1 VAL A 5 -2.879 2.719 -14.569 1.00 21.44 C ATOM 55 CG2 VAL A 5 -4.940 1.298 -14.661 1.00 12.42 C ATOM 0 H VAL A 5 -4.375 1.611 -12.017 1.00 35.45 H new ATOM 0 HA VAL A 5 -4.560 4.350 -13.094 1.00 32.20 H new ATOM 0 HB VAL A 5 -4.787 3.326 -15.296 1.00 24.22 H new ATOM 0 HG11 VAL A 5 -2.564 2.294 -15.522 1.00 21.44 H new ATOM 0 HG12 VAL A 5 -2.517 3.744 -14.492 1.00 21.44 H new ATOM 0 HG13 VAL A 5 -2.466 2.126 -13.753 1.00 21.44 H new ATOM 0 HG21 VAL A 5 -4.597 0.892 -15.612 1.00 12.42 H new ATOM 0 HG22 VAL A 5 -4.583 0.667 -13.847 1.00 12.42 H new ATOM 0 HG23 VAL A 5 -6.030 1.323 -14.649 1.00 12.42 H new ATOM 65 N GLU A 6 -7.049 4.357 -13.318 1.00 23.23 N ATOM 66 CA GLU A 6 -8.505 4.415 -13.281 1.00 32.10 C ATOM 67 C GLU A 6 -9.033 5.465 -14.254 1.00 44.41 C ATOM 68 O GLU A 6 -8.355 6.439 -14.583 1.00 1.43 O ATOM 69 CB GLU A 6 -8.990 4.728 -11.864 1.00 22.33 C ATOM 70 CG GLU A 6 -9.721 3.572 -11.201 1.00 41.05 C ATOM 71 CD GLU A 6 -11.005 4.007 -10.522 1.00 21.30 C ATOM 72 OE1 GLU A 6 -10.923 4.737 -9.512 1.00 71.01 O ATOM 73 OE2 GLU A 6 -12.091 3.617 -10.999 1.00 61.23 O ATOM 0 H GLU A 6 -6.597 5.244 -13.542 1.00 23.23 H new ATOM 0 HA GLU A 6 -8.889 3.440 -13.582 1.00 32.10 H new ATOM 0 HB2 GLU A 6 -8.134 5.006 -11.249 1.00 22.33 H new ATOM 0 HB3 GLU A 6 -9.652 5.593 -11.899 1.00 22.33 H new ATOM 0 HG2 GLU A 6 -9.949 2.814 -11.950 1.00 41.05 H new ATOM 0 HG3 GLU A 6 -9.065 3.106 -10.466 1.00 41.05 H new ATOM 80 N PRO A 7 -10.271 5.264 -14.727 1.00 54.22 N ATOM 81 CA PRO A 7 -10.918 6.183 -15.669 1.00 61.43 C ATOM 82 C PRO A 7 -11.275 7.518 -15.025 1.00 32.53 C ATOM 83 O PRO A 7 -12.042 7.568 -14.063 1.00 30.23 O ATOM 84 CB PRO A 7 -12.186 5.432 -16.083 1.00 32.13 C ATOM 85 CG PRO A 7 -12.474 4.518 -14.942 1.00 72.11 C ATOM 86 CD PRO A 7 -11.137 4.125 -14.378 1.00 63.24 C ATOM 0 HA PRO A 7 -10.265 6.437 -16.504 1.00 61.43 H new ATOM 0 HB2 PRO A 7 -13.014 6.119 -16.259 1.00 32.13 H new ATOM 0 HB3 PRO A 7 -12.032 4.875 -17.007 1.00 32.13 H new ATOM 0 HG2 PRO A 7 -13.084 5.015 -14.188 1.00 72.11 H new ATOM 0 HG3 PRO A 7 -13.030 3.642 -15.275 1.00 72.11 H new ATOM 0 HD2 PRO A 7 -11.185 3.972 -13.300 1.00 63.24 H new ATOM 0 HD3 PRO A 7 -10.774 3.195 -14.816 1.00 63.24 H new ATOM 94 N TYR A 8 -10.716 8.596 -15.561 1.00 4.44 N ATOM 95 CA TYR A 8 -10.974 9.932 -15.036 1.00 10.01 C ATOM 96 C TYR A 8 -10.438 10.072 -13.614 1.00 74.03 C ATOM 97 O TYR A 8 -10.369 9.097 -12.866 1.00 64.24 O ATOM 98 CB TYR A 8 -12.474 10.231 -15.059 1.00 70.54 C ATOM 99 CG TYR A 8 -12.980 10.891 -13.797 1.00 21.54 C ATOM 100 CD1 TYR A 8 -12.929 12.271 -13.643 1.00 31.45 C ATOM 101 CD2 TYR A 8 -13.507 10.134 -12.757 1.00 55.52 C ATOM 102 CE1 TYR A 8 -13.389 12.878 -12.490 1.00 54.13 C ATOM 103 CE2 TYR A 8 -13.971 10.733 -11.602 1.00 54.52 C ATOM 104 CZ TYR A 8 -13.910 12.105 -11.473 1.00 51.43 C ATOM 105 OH TYR A 8 -14.370 12.706 -10.324 1.00 21.23 O ATOM 0 H TYR A 8 -10.081 8.572 -16.359 1.00 4.44 H new ATOM 0 HA TYR A 8 -10.457 10.650 -15.672 1.00 10.01 H new ATOM 0 HB2 TYR A 8 -12.694 10.876 -15.910 1.00 70.54 H new ATOM 0 HB3 TYR A 8 -13.019 9.300 -15.216 1.00 70.54 H new ATOM 0 HD1 TYR A 8 -12.523 12.879 -14.438 1.00 31.45 H new ATOM 0 HD2 TYR A 8 -13.554 9.059 -12.854 1.00 55.52 H new ATOM 0 HE1 TYR A 8 -13.341 13.952 -12.386 1.00 54.13 H new ATOM 0 HE2 TYR A 8 -14.379 10.130 -10.804 1.00 54.52 H new ATOM 0 HH TYR A 8 -14.705 12.021 -9.708 1.00 21.23 H new ATOM 115 N SER A 9 -10.062 11.293 -13.248 1.00 44.05 N ATOM 116 CA SER A 9 -9.529 11.562 -11.918 1.00 0.21 C ATOM 117 C SER A 9 -9.237 13.049 -11.740 1.00 54.10 C ATOM 118 O SER A 9 -8.219 13.428 -11.162 1.00 45.44 O ATOM 119 CB SER A 9 -8.255 10.749 -11.682 1.00 3.15 C ATOM 120 OG SER A 9 -8.550 9.505 -11.070 1.00 4.30 O ATOM 0 H SER A 9 -10.117 12.112 -13.854 1.00 44.05 H new ATOM 0 HA SER A 9 -10.281 11.267 -11.186 1.00 0.21 H new ATOM 0 HB2 SER A 9 -7.747 10.579 -12.631 1.00 3.15 H new ATOM 0 HB3 SER A 9 -7.570 11.315 -11.051 1.00 3.15 H new ATOM 0 HG SER A 9 -9.153 8.991 -11.647 1.00 4.30 H new ATOM 126 N ASP A 10 -10.139 13.886 -12.241 1.00 12.23 N ATOM 127 CA ASP A 10 -9.981 15.332 -12.137 1.00 42.21 C ATOM 128 C ASP A 10 -9.713 15.747 -10.694 1.00 1.41 C ATOM 129 O ASP A 10 -8.774 16.494 -10.416 1.00 74.44 O ATOM 130 CB ASP A 10 -11.230 16.042 -12.662 1.00 3.43 C ATOM 131 CG ASP A 10 -10.970 17.497 -12.999 1.00 3.54 C ATOM 132 OD1 ASP A 10 -9.796 17.921 -12.936 1.00 73.11 O ATOM 133 OD2 ASP A 10 -11.940 18.213 -13.326 1.00 24.35 O ATOM 0 H ASP A 10 -10.987 13.588 -12.723 1.00 12.23 H new ATOM 0 HA ASP A 10 -9.124 15.624 -12.745 1.00 42.21 H new ATOM 0 HB2 ASP A 10 -11.592 15.525 -13.551 1.00 3.43 H new ATOM 0 HB3 ASP A 10 -12.021 15.981 -11.914 1.00 3.43 H new ATOM 138 N ALA A 11 -10.544 15.260 -9.779 1.00 74.30 N ATOM 139 CA ALA A 11 -10.397 15.579 -8.365 1.00 3.34 C ATOM 140 C ALA A 11 -9.348 14.688 -7.707 1.00 52.41 C ATOM 141 O ALA A 11 -8.886 14.969 -6.602 1.00 13.44 O ATOM 142 CB ALA A 11 -11.733 15.441 -7.650 1.00 2.00 C ATOM 0 H ALA A 11 -11.327 14.642 -9.992 1.00 74.30 H new ATOM 0 HA ALA A 11 -10.060 16.613 -8.285 1.00 3.34 H new ATOM 0 HB1 ALA A 11 -11.607 15.682 -6.595 1.00 2.00 H new ATOM 0 HB2 ALA A 11 -12.456 16.124 -8.095 1.00 2.00 H new ATOM 0 HB3 ALA A 11 -12.094 14.417 -7.748 1.00 2.00 H new ATOM 148 N ALA A 12 -8.977 13.613 -8.394 1.00 35.20 N ATOM 149 CA ALA A 12 -7.983 12.682 -7.877 1.00 25.52 C ATOM 150 C ALA A 12 -6.569 13.203 -8.111 1.00 63.30 C ATOM 151 O ALA A 12 -5.682 13.018 -7.277 1.00 11.21 O ATOM 152 CB ALA A 12 -8.156 11.313 -8.519 1.00 50.33 C ATOM 0 H ALA A 12 -9.350 13.366 -9.310 1.00 35.20 H new ATOM 0 HA ALA A 12 -8.135 12.588 -6.802 1.00 25.52 H new ATOM 0 HB1 ALA A 12 -7.406 10.628 -8.123 1.00 50.33 H new ATOM 0 HB2 ALA A 12 -9.152 10.930 -8.296 1.00 50.33 H new ATOM 0 HB3 ALA A 12 -8.034 11.399 -9.599 1.00 50.33 H new ATOM 158 N PHE A 13 -6.364 13.854 -9.251 1.00 75.24 N ATOM 159 CA PHE A 13 -5.057 14.400 -9.596 1.00 52.31 C ATOM 160 C PHE A 13 -4.504 15.249 -8.455 1.00 15.21 C ATOM 161 O PHE A 13 -3.294 15.305 -8.236 1.00 62.41 O ATOM 162 CB PHE A 13 -5.152 15.240 -10.872 1.00 31.03 C ATOM 163 CG PHE A 13 -5.696 14.482 -12.049 1.00 41.30 C ATOM 164 CD1 PHE A 13 -6.605 15.074 -12.911 1.00 12.24 C ATOM 165 CD2 PHE A 13 -5.298 13.178 -12.294 1.00 31.32 C ATOM 166 CE1 PHE A 13 -7.107 14.380 -13.995 1.00 74.12 C ATOM 167 CE2 PHE A 13 -5.796 12.479 -13.377 1.00 34.31 C ATOM 168 CZ PHE A 13 -6.703 13.080 -14.228 1.00 30.01 C ATOM 0 H PHE A 13 -7.087 14.016 -9.952 1.00 75.24 H new ATOM 0 HA PHE A 13 -4.377 13.566 -9.768 1.00 52.31 H new ATOM 0 HB2 PHE A 13 -5.788 16.105 -10.682 1.00 31.03 H new ATOM 0 HB3 PHE A 13 -4.162 15.621 -11.121 1.00 31.03 H new ATOM 0 HD1 PHE A 13 -6.925 16.090 -12.733 1.00 12.24 H new ATOM 0 HD2 PHE A 13 -4.590 12.702 -11.631 1.00 31.32 H new ATOM 0 HE1 PHE A 13 -7.815 14.854 -14.659 1.00 74.12 H new ATOM 0 HE2 PHE A 13 -5.476 11.463 -13.558 1.00 34.31 H new ATOM 0 HZ PHE A 13 -7.095 12.535 -15.074 1.00 30.01 H new ATOM 178 N THR A 14 -5.401 15.911 -7.729 1.00 62.15 N ATOM 179 CA THR A 14 -5.005 16.758 -6.612 1.00 45.52 C ATOM 180 C THR A 14 -4.830 15.941 -5.337 1.00 41.51 C ATOM 181 O THR A 14 -3.839 16.094 -4.623 1.00 14.11 O ATOM 182 CB THR A 14 -6.038 17.872 -6.357 1.00 71.24 C ATOM 183 OG1 THR A 14 -7.348 17.414 -6.711 1.00 11.40 O ATOM 184 CG2 THR A 14 -5.698 19.120 -7.158 1.00 62.43 C ATOM 0 H THR A 14 -6.407 15.876 -7.896 1.00 62.15 H new ATOM 0 HA THR A 14 -4.052 17.212 -6.883 1.00 45.52 H new ATOM 0 HB THR A 14 -6.015 18.123 -5.297 1.00 71.24 H new ATOM 0 HG1 THR A 14 -7.486 16.511 -6.356 1.00 11.40 H new ATOM 0 HG21 THR A 14 -6.442 19.892 -6.961 1.00 62.43 H new ATOM 0 HG22 THR A 14 -4.712 19.482 -6.866 1.00 62.43 H new ATOM 0 HG23 THR A 14 -5.696 18.881 -8.221 1.00 62.43 H new ATOM 192 N GLN A 15 -5.798 15.074 -5.058 1.00 44.14 N ATOM 193 CA GLN A 15 -5.749 14.233 -3.868 1.00 74.14 C ATOM 194 C GLN A 15 -4.550 13.292 -3.915 1.00 73.33 C ATOM 195 O GLN A 15 -4.077 12.822 -2.881 1.00 61.11 O ATOM 196 CB GLN A 15 -7.042 13.425 -3.736 1.00 42.41 C ATOM 197 CG GLN A 15 -6.959 12.039 -4.353 1.00 64.25 C ATOM 198 CD GLN A 15 -8.302 11.339 -4.399 1.00 35.42 C ATOM 199 OE1 GLN A 15 -9.244 11.732 -3.710 1.00 11.21 O ATOM 200 NE2 GLN A 15 -8.399 10.294 -5.213 1.00 22.11 N ATOM 0 H GLN A 15 -6.625 14.936 -5.639 1.00 44.14 H new ATOM 0 HA GLN A 15 -5.644 14.882 -2.999 1.00 74.14 H new ATOM 0 HB2 GLN A 15 -7.294 13.329 -2.680 1.00 42.41 H new ATOM 0 HB3 GLN A 15 -7.855 13.976 -4.209 1.00 42.41 H new ATOM 0 HG2 GLN A 15 -6.561 12.119 -5.364 1.00 64.25 H new ATOM 0 HG3 GLN A 15 -6.257 11.432 -3.781 1.00 64.25 H new ATOM 0 HE21 GLN A 15 -7.593 10.002 -5.766 1.00 22.11 H new ATOM 0 HE22 GLN A 15 -9.279 9.783 -5.285 1.00 22.11 H new ATOM 209 N ALA A 16 -4.064 13.020 -5.122 1.00 52.31 N ATOM 210 CA ALA A 16 -2.919 12.136 -5.303 1.00 54.45 C ATOM 211 C ALA A 16 -1.608 12.886 -5.093 1.00 53.12 C ATOM 212 O ALA A 16 -0.641 12.329 -4.575 1.00 13.03 O ATOM 213 CB ALA A 16 -2.953 11.506 -6.688 1.00 53.40 C ATOM 0 H ALA A 16 -4.445 13.399 -5.989 1.00 52.31 H new ATOM 0 HA ALA A 16 -2.979 11.346 -4.555 1.00 54.45 H new ATOM 0 HB1 ALA A 16 -2.092 10.848 -6.810 1.00 53.40 H new ATOM 0 HB2 ALA A 16 -3.870 10.928 -6.803 1.00 53.40 H new ATOM 0 HB3 ALA A 16 -2.921 12.290 -7.445 1.00 53.40 H new ATOM 219 N GLN A 17 -1.584 14.151 -5.500 1.00 3.32 N ATOM 220 CA GLN A 17 -0.390 14.976 -5.357 1.00 2.04 C ATOM 221 C GLN A 17 -0.334 15.617 -3.974 1.00 4.01 C ATOM 222 O GLN A 17 0.732 16.022 -3.510 1.00 13.22 O ATOM 223 CB GLN A 17 -0.360 16.060 -6.436 1.00 34.33 C ATOM 224 CG GLN A 17 -1.236 17.261 -6.116 1.00 24.22 C ATOM 225 CD GLN A 17 -0.430 18.478 -5.707 1.00 24.10 C ATOM 226 OE1 GLN A 17 0.509 18.876 -6.398 1.00 13.12 O ATOM 227 NE2 GLN A 17 -0.792 19.077 -4.578 1.00 60.45 N ATOM 0 H GLN A 17 -2.377 14.627 -5.931 1.00 3.32 H new ATOM 0 HA GLN A 17 0.482 14.332 -5.475 1.00 2.04 H new ATOM 0 HB2 GLN A 17 0.668 16.396 -6.573 1.00 34.33 H new ATOM 0 HB3 GLN A 17 -0.683 15.627 -7.383 1.00 34.33 H new ATOM 0 HG2 GLN A 17 -1.841 17.507 -6.988 1.00 24.22 H new ATOM 0 HG3 GLN A 17 -1.925 17.000 -5.313 1.00 24.22 H new ATOM 0 HE21 GLN A 17 -1.576 18.713 -4.037 1.00 60.45 H new ATOM 0 HE22 GLN A 17 -0.286 19.901 -4.253 1.00 60.45 H new ATOM 236 N ALA A 18 -1.488 15.706 -3.321 1.00 23.21 N ATOM 237 CA ALA A 18 -1.569 16.296 -1.991 1.00 13.03 C ATOM 238 C ALA A 18 -1.113 15.308 -0.923 1.00 21.13 C ATOM 239 O ALA A 18 -1.023 15.651 0.256 1.00 31.11 O ATOM 240 CB ALA A 18 -2.989 16.764 -1.707 1.00 50.12 C ATOM 0 H ALA A 18 -2.380 15.377 -3.692 1.00 23.21 H new ATOM 0 HA ALA A 18 -0.901 17.157 -1.961 1.00 13.03 H new ATOM 0 HB1 ALA A 18 -3.035 17.203 -0.710 1.00 50.12 H new ATOM 0 HB2 ALA A 18 -3.281 17.511 -2.446 1.00 50.12 H new ATOM 0 HB3 ALA A 18 -3.670 15.914 -1.761 1.00 50.12 H new ATOM 246 N SER A 19 -0.826 14.080 -1.343 1.00 35.21 N ATOM 247 CA SER A 19 -0.384 13.040 -0.421 1.00 44.31 C ATOM 248 C SER A 19 1.123 12.825 -0.528 1.00 50.13 C ATOM 249 O SER A 19 1.749 12.276 0.377 1.00 30.03 O ATOM 250 CB SER A 19 -1.119 11.729 -0.706 1.00 11.40 C ATOM 251 OG SER A 19 -1.731 11.222 0.467 1.00 1.54 O ATOM 0 H SER A 19 -0.892 13.781 -2.316 1.00 35.21 H new ATOM 0 HA SER A 19 -0.617 13.365 0.593 1.00 44.31 H new ATOM 0 HB2 SER A 19 -1.876 11.892 -1.473 1.00 11.40 H new ATOM 0 HB3 SER A 19 -0.418 10.994 -1.101 1.00 11.40 H new ATOM 0 HG SER A 19 -2.196 10.385 0.258 1.00 1.54 H new ATOM 257 N GLY A 20 1.699 13.263 -1.644 1.00 22.31 N ATOM 258 CA GLY A 20 3.127 13.109 -1.851 1.00 4.25 C ATOM 259 C GLY A 20 3.483 11.771 -2.468 1.00 45.51 C ATOM 260 O GLY A 20 4.497 11.169 -2.118 1.00 24.35 O ATOM 0 H GLY A 20 1.202 13.721 -2.408 1.00 22.31 H new ATOM 0 HA2 GLY A 20 3.486 13.910 -2.497 1.00 4.25 H new ATOM 0 HA3 GLY A 20 3.643 13.214 -0.896 1.00 4.25 H new ATOM 264 N ALA A 21 2.646 11.305 -3.389 1.00 45.10 N ATOM 265 CA ALA A 21 2.878 10.030 -4.057 1.00 4.42 C ATOM 266 C ALA A 21 2.939 10.206 -5.570 1.00 54.43 C ATOM 267 O ALA A 21 2.433 11.181 -6.127 1.00 14.23 O ATOM 268 CB ALA A 21 1.792 9.033 -3.682 1.00 41.12 C ATOM 0 H ALA A 21 1.801 11.791 -3.690 1.00 45.10 H new ATOM 0 HA ALA A 21 3.841 9.643 -3.724 1.00 4.42 H new ATOM 0 HB1 ALA A 21 1.978 8.085 -4.188 1.00 41.12 H new ATOM 0 HB2 ALA A 21 1.799 8.876 -2.603 1.00 41.12 H new ATOM 0 HB3 ALA A 21 0.820 9.422 -3.986 1.00 41.12 H new ATOM 274 N PRO A 22 3.572 9.242 -6.254 1.00 44.22 N ATOM 275 CA PRO A 22 3.714 9.269 -7.713 1.00 72.30 C ATOM 276 C PRO A 22 2.387 9.040 -8.428 1.00 72.43 C ATOM 277 O PRO A 22 1.716 8.031 -8.206 1.00 44.24 O ATOM 278 CB PRO A 22 4.680 8.116 -7.997 1.00 3.13 C ATOM 279 CG PRO A 22 4.508 7.186 -6.846 1.00 24.31 C ATOM 280 CD PRO A 22 4.199 8.052 -5.656 1.00 63.40 C ATOM 0 HA PRO A 22 4.067 10.236 -8.070 1.00 72.30 H new ATOM 0 HB2 PRO A 22 4.444 7.625 -8.941 1.00 3.13 H new ATOM 0 HB3 PRO A 22 5.708 8.470 -8.070 1.00 3.13 H new ATOM 0 HG2 PRO A 22 3.701 6.478 -7.034 1.00 24.31 H new ATOM 0 HG3 PRO A 22 5.412 6.601 -6.679 1.00 24.31 H new ATOM 0 HD2 PRO A 22 3.527 7.552 -4.958 1.00 63.40 H new ATOM 0 HD3 PRO A 22 5.101 8.309 -5.101 1.00 63.40 H new ATOM 288 N VAL A 23 2.013 9.982 -9.288 1.00 71.34 N ATOM 289 CA VAL A 23 0.766 9.881 -10.038 1.00 3.42 C ATOM 290 C VAL A 23 0.843 10.671 -11.340 1.00 32.12 C ATOM 291 O VAL A 23 1.064 11.883 -11.332 1.00 33.31 O ATOM 292 CB VAL A 23 -0.429 10.391 -9.210 1.00 44.44 C ATOM 293 CG1 VAL A 23 -1.117 9.237 -8.499 1.00 31.13 C ATOM 294 CG2 VAL A 23 0.026 11.448 -8.214 1.00 73.34 C ATOM 0 H VAL A 23 2.555 10.824 -9.483 1.00 71.34 H new ATOM 0 HA VAL A 23 0.617 8.825 -10.265 1.00 3.42 H new ATOM 0 HB VAL A 23 -1.150 10.849 -9.887 1.00 44.44 H new ATOM 0 HG11 VAL A 23 -1.958 9.617 -7.919 1.00 31.13 H new ATOM 0 HG12 VAL A 23 -1.478 8.519 -9.236 1.00 31.13 H new ATOM 0 HG13 VAL A 23 -0.408 8.747 -7.832 1.00 31.13 H new ATOM 0 HG21 VAL A 23 -0.831 11.797 -7.638 1.00 73.34 H new ATOM 0 HG22 VAL A 23 0.766 11.018 -7.539 1.00 73.34 H new ATOM 0 HG23 VAL A 23 0.469 12.287 -8.751 1.00 73.34 H new ATOM 304 N LEU A 24 0.658 9.977 -12.457 1.00 43.15 N ATOM 305 CA LEU A 24 0.706 10.613 -13.769 1.00 53.25 C ATOM 306 C LEU A 24 -0.700 10.846 -14.313 1.00 15.23 C ATOM 307 O LEU A 24 -1.630 10.102 -13.999 1.00 63.15 O ATOM 308 CB LEU A 24 1.506 9.751 -14.747 1.00 41.24 C ATOM 309 CG LEU A 24 2.072 10.473 -15.971 1.00 12.32 C ATOM 310 CD1 LEU A 24 3.515 10.061 -16.214 1.00 61.32 C ATOM 311 CD2 LEU A 24 1.220 10.189 -17.199 1.00 55.30 C ATOM 0 H LEU A 24 0.473 8.974 -12.481 1.00 43.15 H new ATOM 0 HA LEU A 24 1.198 11.579 -13.659 1.00 53.25 H new ATOM 0 HB2 LEU A 24 2.334 9.295 -14.204 1.00 41.24 H new ATOM 0 HB3 LEU A 24 0.866 8.940 -15.093 1.00 41.24 H new ATOM 0 HG LEU A 24 2.050 11.546 -15.779 1.00 12.32 H new ATOM 0 HD11 LEU A 24 3.901 10.585 -17.089 1.00 61.32 H new ATOM 0 HD12 LEU A 24 4.118 10.317 -15.343 1.00 61.32 H new ATOM 0 HD13 LEU A 24 3.562 8.986 -16.385 1.00 61.32 H new ATOM 0 HD21 LEU A 24 1.638 10.711 -18.060 1.00 55.30 H new ATOM 0 HD22 LEU A 24 1.209 9.117 -17.394 1.00 55.30 H new ATOM 0 HD23 LEU A 24 0.202 10.536 -17.023 1.00 55.30 H new ATOM 323 N VAL A 25 -0.849 11.884 -15.130 1.00 70.45 N ATOM 324 CA VAL A 25 -2.141 12.213 -15.720 1.00 40.15 C ATOM 325 C VAL A 25 -2.082 12.151 -17.243 1.00 2.14 C ATOM 326 O VAL A 25 -1.166 12.694 -17.861 1.00 71.21 O ATOM 327 CB VAL A 25 -2.612 13.616 -15.293 1.00 31.33 C ATOM 328 CG1 VAL A 25 -4.029 13.875 -15.781 1.00 40.42 C ATOM 329 CG2 VAL A 25 -2.524 13.769 -13.782 1.00 4.22 C ATOM 0 H VAL A 25 -0.091 12.511 -15.398 1.00 70.45 H new ATOM 0 HA VAL A 25 -2.853 11.472 -15.356 1.00 40.15 H new ATOM 0 HB VAL A 25 -1.955 14.356 -15.750 1.00 31.33 H new ATOM 0 HG11 VAL A 25 -4.345 14.871 -15.470 1.00 40.42 H new ATOM 0 HG12 VAL A 25 -4.057 13.809 -16.869 1.00 40.42 H new ATOM 0 HG13 VAL A 25 -4.702 13.131 -15.355 1.00 40.42 H new ATOM 0 HG21 VAL A 25 -2.860 14.766 -13.497 1.00 4.22 H new ATOM 0 HG22 VAL A 25 -3.157 13.022 -13.303 1.00 4.22 H new ATOM 0 HG23 VAL A 25 -1.492 13.629 -13.462 1.00 4.22 H new ATOM 339 N ASP A 26 -3.064 11.487 -17.841 1.00 35.34 N ATOM 340 CA ASP A 26 -3.126 11.355 -19.292 1.00 22.33 C ATOM 341 C ASP A 26 -4.569 11.420 -19.783 1.00 24.32 C ATOM 342 O ASP A 26 -5.376 10.537 -19.490 1.00 5.32 O ATOM 343 CB ASP A 26 -2.483 10.039 -19.733 1.00 45.11 C ATOM 344 CG ASP A 26 -1.628 10.201 -20.975 1.00 21.51 C ATOM 345 OD1 ASP A 26 -1.884 11.143 -21.753 1.00 50.14 O ATOM 346 OD2 ASP A 26 -0.702 9.385 -21.168 1.00 35.12 O ATOM 0 H ASP A 26 -3.829 11.031 -17.343 1.00 35.34 H new ATOM 0 HA ASP A 26 -2.574 12.186 -19.732 1.00 22.33 H new ATOM 0 HB2 ASP A 26 -1.870 9.648 -18.921 1.00 45.11 H new ATOM 0 HB3 ASP A 26 -3.264 9.303 -19.926 1.00 45.11 H new ATOM 351 N VAL A 27 -4.887 12.471 -20.531 1.00 0.43 N ATOM 352 CA VAL A 27 -6.232 12.652 -21.063 1.00 14.13 C ATOM 353 C VAL A 27 -6.380 11.982 -22.424 1.00 22.31 C ATOM 354 O VAL A 27 -5.434 11.937 -23.211 1.00 71.31 O ATOM 355 CB VAL A 27 -6.587 14.145 -21.197 1.00 32.12 C ATOM 356 CG1 VAL A 27 -8.094 14.330 -21.287 1.00 33.23 C ATOM 357 CG2 VAL A 27 -6.013 14.935 -20.031 1.00 15.35 C ATOM 0 H VAL A 27 -4.231 13.211 -20.782 1.00 0.43 H new ATOM 0 HA VAL A 27 -6.917 12.185 -20.355 1.00 14.13 H new ATOM 0 HB VAL A 27 -6.143 14.525 -22.117 1.00 32.12 H new ATOM 0 HG11 VAL A 27 -8.325 15.391 -21.381 1.00 33.23 H new ATOM 0 HG12 VAL A 27 -8.475 13.797 -22.158 1.00 33.23 H new ATOM 0 HG13 VAL A 27 -8.564 13.935 -20.386 1.00 33.23 H new ATOM 0 HG21 VAL A 27 -6.273 15.988 -20.142 1.00 15.35 H new ATOM 0 HG22 VAL A 27 -6.426 14.555 -19.096 1.00 15.35 H new ATOM 0 HG23 VAL A 27 -4.928 14.829 -20.018 1.00 15.35 H new ATOM 367 N TYR A 28 -7.572 11.462 -22.695 1.00 42.02 N ATOM 368 CA TYR A 28 -7.843 10.792 -23.961 1.00 72.32 C ATOM 369 C TYR A 28 -9.234 11.147 -24.479 1.00 5.31 C ATOM 370 O TYR A 28 -10.080 11.636 -23.731 1.00 51.24 O ATOM 371 CB TYR A 28 -7.720 9.276 -23.796 1.00 74.14 C ATOM 372 CG TYR A 28 -6.291 8.782 -23.784 1.00 74.15 C ATOM 373 CD1 TYR A 28 -5.780 8.050 -24.849 1.00 70.11 C ATOM 374 CD2 TYR A 28 -5.453 9.046 -22.709 1.00 11.04 C ATOM 375 CE1 TYR A 28 -4.475 7.596 -24.842 1.00 73.25 C ATOM 376 CE2 TYR A 28 -4.147 8.597 -22.694 1.00 3.20 C ATOM 377 CZ TYR A 28 -3.663 7.872 -23.763 1.00 5.40 C ATOM 378 OH TYR A 28 -2.362 7.422 -23.752 1.00 12.44 O ATOM 0 H TYR A 28 -8.366 11.492 -22.055 1.00 42.02 H new ATOM 0 HA TYR A 28 -7.106 11.133 -24.688 1.00 72.32 H new ATOM 0 HB2 TYR A 28 -8.206 8.980 -22.866 1.00 74.14 H new ATOM 0 HB3 TYR A 28 -8.258 8.786 -24.607 1.00 74.14 H new ATOM 0 HD1 TYR A 28 -6.413 7.832 -25.696 1.00 70.11 H new ATOM 0 HD2 TYR A 28 -5.829 9.612 -21.870 1.00 11.04 H new ATOM 0 HE1 TYR A 28 -4.093 7.028 -25.677 1.00 73.25 H new ATOM 0 HE2 TYR A 28 -3.508 8.812 -21.850 1.00 3.20 H new ATOM 0 HH TYR A 28 -1.926 7.703 -22.920 1.00 12.44 H new ATOM 388 N ALA A 29 -9.461 10.897 -25.764 1.00 50.12 N ATOM 389 CA ALA A 29 -10.749 11.188 -26.383 1.00 25.43 C ATOM 390 C ALA A 29 -11.206 10.032 -27.267 1.00 11.25 C ATOM 391 O ALA A 29 -10.470 9.068 -27.474 1.00 62.32 O ATOM 392 CB ALA A 29 -10.667 12.473 -27.192 1.00 11.51 C ATOM 0 H ALA A 29 -8.770 10.494 -26.397 1.00 50.12 H new ATOM 0 HA ALA A 29 -11.485 11.318 -25.590 1.00 25.43 H new ATOM 0 HB1 ALA A 29 -11.635 12.678 -27.648 1.00 11.51 H new ATOM 0 HB2 ALA A 29 -10.393 13.299 -26.536 1.00 11.51 H new ATOM 0 HB3 ALA A 29 -9.914 12.364 -27.972 1.00 11.51 H new ATOM 398 N ASP A 30 -12.425 10.136 -27.784 1.00 13.14 N ATOM 399 CA ASP A 30 -12.981 9.099 -28.646 1.00 11.53 C ATOM 400 C ASP A 30 -11.974 8.683 -29.713 1.00 52.14 C ATOM 401 O ASP A 30 -11.896 7.512 -30.084 1.00 33.23 O ATOM 402 CB ASP A 30 -14.269 9.592 -29.306 1.00 54.45 C ATOM 403 CG ASP A 30 -14.038 10.795 -30.200 1.00 13.21 C ATOM 404 OD1 ASP A 30 -13.825 11.902 -29.662 1.00 13.21 O ATOM 405 OD2 ASP A 30 -14.070 10.630 -31.437 1.00 65.51 O ATOM 0 H ASP A 30 -13.047 10.928 -27.621 1.00 13.14 H new ATOM 0 HA ASP A 30 -13.208 8.230 -28.029 1.00 11.53 H new ATOM 0 HB2 ASP A 30 -14.705 8.784 -29.894 1.00 54.45 H new ATOM 0 HB3 ASP A 30 -14.994 9.851 -28.534 1.00 54.45 H new ATOM 410 N TRP A 31 -11.207 9.650 -30.204 1.00 60.43 N ATOM 411 CA TRP A 31 -10.206 9.383 -31.231 1.00 5.23 C ATOM 412 C TRP A 31 -9.475 10.663 -31.623 1.00 61.54 C ATOM 413 O TRP A 31 -9.345 10.975 -32.808 1.00 2.24 O ATOM 414 CB TRP A 31 -10.862 8.757 -32.462 1.00 42.34 C ATOM 415 CG TRP A 31 -10.085 7.608 -33.030 1.00 34.34 C ATOM 416 CD1 TRP A 31 -8.740 7.395 -32.924 1.00 15.25 C ATOM 417 CD2 TRP A 31 -10.607 6.514 -33.793 1.00 13.44 C ATOM 418 NE1 TRP A 31 -8.395 6.236 -33.575 1.00 21.43 N ATOM 419 CE2 TRP A 31 -9.522 5.676 -34.115 1.00 53.14 C ATOM 420 CE3 TRP A 31 -11.886 6.161 -34.233 1.00 24.13 C ATOM 421 CZ2 TRP A 31 -9.679 4.509 -34.858 1.00 40.13 C ATOM 422 CZ3 TRP A 31 -12.039 5.002 -34.970 1.00 54.52 C ATOM 423 CH2 TRP A 31 -10.942 4.187 -35.276 1.00 44.34 C ATOM 0 H TRP A 31 -11.259 10.625 -29.908 1.00 60.43 H new ATOM 0 HA TRP A 31 -9.479 8.682 -30.821 1.00 5.23 H new ATOM 0 HB2 TRP A 31 -11.862 8.414 -32.197 1.00 42.34 H new ATOM 0 HB3 TRP A 31 -10.980 9.521 -33.230 1.00 42.34 H new ATOM 0 HD1 TRP A 31 -8.049 8.043 -32.405 1.00 15.25 H new ATOM 0 HE1 TRP A 31 -7.452 5.854 -33.645 1.00 21.43 H new ATOM 0 HE3 TRP A 31 -12.738 6.782 -34.001 1.00 24.13 H new ATOM 0 HZ2 TRP A 31 -8.834 3.880 -35.096 1.00 40.13 H new ATOM 0 HZ3 TRP A 31 -13.022 4.720 -35.316 1.00 54.52 H new ATOM 0 HH2 TRP A 31 -11.096 3.287 -35.853 1.00 44.34 H new ATOM 434 N CYS A 32 -9.000 11.398 -30.624 1.00 72.14 N ATOM 435 CA CYS A 32 -8.283 12.645 -30.866 1.00 64.45 C ATOM 436 C CYS A 32 -6.979 12.385 -31.614 1.00 41.13 C ATOM 437 O CYS A 32 -6.489 11.258 -31.685 1.00 72.35 O ATOM 438 CB CYS A 32 -7.993 13.356 -29.544 1.00 31.32 C ATOM 439 SG CYS A 32 -9.108 14.734 -29.187 1.00 70.22 S ATOM 0 H CYS A 32 -9.098 11.152 -29.639 1.00 72.14 H new ATOM 0 HA CYS A 32 -8.914 13.285 -31.483 1.00 64.45 H new ATOM 0 HB2 CYS A 32 -8.057 12.631 -28.732 1.00 31.32 H new ATOM 0 HB3 CYS A 32 -6.968 13.727 -29.560 1.00 31.32 H new ATOM 0 HG CYS A 32 -8.561 15.517 -28.305 1.00 70.22 H new ATOM 445 N PRO A 33 -6.403 13.452 -32.187 1.00 42.15 N ATOM 446 CA PRO A 33 -5.149 13.365 -32.942 1.00 2.04 C ATOM 447 C PRO A 33 -3.951 13.078 -32.043 1.00 43.20 C ATOM 448 O PRO A 33 -2.921 12.584 -32.503 1.00 11.30 O ATOM 449 CB PRO A 33 -5.020 14.751 -33.578 1.00 13.43 C ATOM 450 CG PRO A 33 -5.796 15.653 -32.681 1.00 11.13 C ATOM 451 CD PRO A 33 -6.931 14.826 -32.143 1.00 60.00 C ATOM 0 HA PRO A 33 -5.164 12.550 -33.665 1.00 2.04 H new ATOM 0 HB2 PRO A 33 -3.977 15.061 -33.645 1.00 13.43 H new ATOM 0 HB3 PRO A 33 -5.421 14.760 -34.592 1.00 13.43 H new ATOM 0 HG2 PRO A 33 -5.171 16.031 -31.872 1.00 11.13 H new ATOM 0 HG3 PRO A 33 -6.169 16.520 -33.227 1.00 11.13 H new ATOM 0 HD2 PRO A 33 -7.198 15.122 -31.128 1.00 60.00 H new ATOM 0 HD3 PRO A 33 -7.829 14.931 -32.752 1.00 60.00 H new ATOM 459 N VAL A 34 -4.092 13.391 -30.759 1.00 23.53 N ATOM 460 CA VAL A 34 -3.021 13.165 -29.795 1.00 32.31 C ATOM 461 C VAL A 34 -2.962 11.701 -29.373 1.00 24.01 C ATOM 462 O VAL A 34 -1.911 11.063 -29.455 1.00 12.13 O ATOM 463 CB VAL A 34 -3.200 14.042 -28.542 1.00 0.13 C ATOM 464 CG1 VAL A 34 -2.109 13.747 -27.523 1.00 53.22 C ATOM 465 CG2 VAL A 34 -3.204 15.516 -28.920 1.00 22.45 C ATOM 0 H VAL A 34 -4.937 13.802 -30.362 1.00 23.53 H new ATOM 0 HA VAL A 34 -2.088 13.436 -30.289 1.00 32.31 H new ATOM 0 HB VAL A 34 -4.162 13.804 -28.088 1.00 0.13 H new ATOM 0 HG11 VAL A 34 -2.252 14.376 -26.644 1.00 53.22 H new ATOM 0 HG12 VAL A 34 -2.159 12.698 -27.230 1.00 53.22 H new ATOM 0 HG13 VAL A 34 -1.134 13.955 -27.963 1.00 53.22 H new ATOM 0 HG21 VAL A 34 -3.331 16.121 -28.023 1.00 22.45 H new ATOM 0 HG22 VAL A 34 -2.259 15.771 -29.399 1.00 22.45 H new ATOM 0 HG23 VAL A 34 -4.025 15.712 -29.610 1.00 22.45 H new ATOM 475 N CYS A 35 -4.095 11.174 -28.922 1.00 43.51 N ATOM 476 CA CYS A 35 -4.172 9.785 -28.486 1.00 61.44 C ATOM 477 C CYS A 35 -4.053 8.835 -29.674 1.00 51.11 C ATOM 478 O CYS A 35 -3.588 7.704 -29.535 1.00 20.34 O ATOM 479 CB CYS A 35 -5.486 9.533 -27.746 1.00 31.30 C ATOM 480 SG CYS A 35 -6.961 9.716 -28.776 1.00 64.43 S ATOM 0 H CYS A 35 -4.973 11.688 -28.849 1.00 43.51 H new ATOM 0 HA CYS A 35 -3.340 9.596 -27.808 1.00 61.44 H new ATOM 0 HB2 CYS A 35 -5.469 8.525 -27.331 1.00 31.30 H new ATOM 0 HB3 CYS A 35 -5.555 10.223 -26.905 1.00 31.30 H new ATOM 0 HG CYS A 35 -6.648 10.332 -29.877 1.00 64.43 H new ATOM 486 N LYS A 36 -4.478 9.302 -30.843 1.00 54.20 N ATOM 487 CA LYS A 36 -4.421 8.496 -32.056 1.00 62.24 C ATOM 488 C LYS A 36 -2.987 8.379 -32.565 1.00 14.32 C ATOM 489 O LYS A 36 -2.585 7.337 -33.082 1.00 20.14 O ATOM 490 CB LYS A 36 -5.310 9.106 -33.142 1.00 11.41 C ATOM 491 CG LYS A 36 -5.089 8.505 -34.519 1.00 45.31 C ATOM 492 CD LYS A 36 -5.408 7.020 -34.537 1.00 62.11 C ATOM 493 CE LYS A 36 -4.294 6.218 -35.192 1.00 44.23 C ATOM 494 NZ LYS A 36 -4.613 5.878 -36.606 1.00 70.34 N ATOM 0 H LYS A 36 -4.866 10.236 -30.976 1.00 54.20 H new ATOM 0 HA LYS A 36 -4.786 7.497 -31.815 1.00 62.24 H new ATOM 0 HB2 LYS A 36 -6.355 8.974 -32.861 1.00 11.41 H new ATOM 0 HB3 LYS A 36 -5.126 10.179 -33.190 1.00 11.41 H new ATOM 0 HG2 LYS A 36 -5.715 9.021 -35.247 1.00 45.31 H new ATOM 0 HG3 LYS A 36 -4.054 8.659 -34.822 1.00 45.31 H new ATOM 0 HD2 LYS A 36 -5.560 6.667 -33.517 1.00 62.11 H new ATOM 0 HD3 LYS A 36 -6.342 6.854 -35.074 1.00 62.11 H new ATOM 0 HE2 LYS A 36 -3.366 6.789 -35.156 1.00 44.23 H new ATOM 0 HE3 LYS A 36 -4.126 5.301 -34.627 1.00 44.23 H new ATOM 0 HZ1 LYS A 36 -3.829 5.332 -37.017 1.00 70.34 H new ATOM 0 HZ2 LYS A 36 -5.485 5.312 -36.639 1.00 70.34 H new ATOM 0 HZ3 LYS A 36 -4.748 6.753 -37.151 1.00 70.34 H new ATOM 508 N ARG A 37 -2.221 9.455 -32.413 1.00 74.23 N ATOM 509 CA ARG A 37 -0.833 9.472 -32.857 1.00 43.30 C ATOM 510 C ARG A 37 0.097 8.981 -31.752 1.00 24.32 C ATOM 511 O ARG A 37 1.213 8.535 -32.020 1.00 12.14 O ATOM 512 CB ARG A 37 -0.430 10.884 -33.287 1.00 11.35 C ATOM 513 CG ARG A 37 1.029 11.004 -33.694 1.00 62.04 C ATOM 514 CD ARG A 37 1.329 12.368 -34.297 1.00 62.50 C ATOM 515 NE ARG A 37 0.606 12.584 -35.547 1.00 43.34 N ATOM 516 CZ ARG A 37 0.792 13.642 -36.330 1.00 21.51 C ATOM 517 NH1 ARG A 37 1.673 14.573 -35.993 1.00 44.10 N ATOM 518 NH2 ARG A 37 0.096 13.768 -37.452 1.00 41.15 N ATOM 0 H ARG A 37 -2.538 10.325 -31.986 1.00 74.23 H new ATOM 0 HA ARG A 37 -0.742 8.800 -33.710 1.00 43.30 H new ATOM 0 HB2 ARG A 37 -1.058 11.193 -34.123 1.00 11.35 H new ATOM 0 HB3 ARG A 37 -0.628 11.575 -32.467 1.00 11.35 H new ATOM 0 HG2 ARG A 37 1.665 10.842 -32.824 1.00 62.04 H new ATOM 0 HG3 ARG A 37 1.272 10.224 -34.416 1.00 62.04 H new ATOM 0 HD2 ARG A 37 1.060 13.147 -33.583 1.00 62.50 H new ATOM 0 HD3 ARG A 37 2.400 12.457 -34.478 1.00 62.50 H new ATOM 0 HE ARG A 37 -0.079 11.885 -35.835 1.00 43.34 H new ATOM 0 HH11 ARG A 37 2.210 14.479 -35.131 1.00 44.10 H new ATOM 0 HH12 ARG A 37 1.814 15.384 -36.596 1.00 44.10 H new ATOM 0 HH21 ARG A 37 -0.582 13.053 -37.714 1.00 41.15 H new ATOM 0 HH22 ARG A 37 0.239 14.580 -38.052 1.00 41.15 H new ATOM 532 N GLN A 38 -0.370 9.066 -30.511 1.00 31.05 N ATOM 533 CA GLN A 38 0.421 8.631 -29.365 1.00 73.14 C ATOM 534 C GLN A 38 0.301 7.124 -29.162 1.00 43.13 C ATOM 535 O GLN A 38 1.150 6.506 -28.520 1.00 14.32 O ATOM 536 CB GLN A 38 -0.028 9.365 -28.101 1.00 2.14 C ATOM 537 CG GLN A 38 0.646 8.862 -26.834 1.00 51.20 C ATOM 538 CD GLN A 38 0.688 9.910 -25.740 1.00 12.53 C ATOM 539 OE1 GLN A 38 0.242 9.671 -24.617 1.00 63.30 O ATOM 540 NE2 GLN A 38 1.225 11.081 -26.061 1.00 41.44 N ATOM 0 H GLN A 38 -1.292 9.432 -30.273 1.00 31.05 H new ATOM 0 HA GLN A 38 1.466 8.871 -29.564 1.00 73.14 H new ATOM 0 HB2 GLN A 38 0.180 10.429 -28.215 1.00 2.14 H new ATOM 0 HB3 GLN A 38 -1.108 9.261 -27.994 1.00 2.14 H new ATOM 0 HG2 GLN A 38 0.115 7.983 -26.469 1.00 51.20 H new ATOM 0 HG3 GLN A 38 1.663 8.546 -27.069 1.00 51.20 H new ATOM 0 HE21 GLN A 38 1.583 11.237 -27.003 1.00 41.44 H new ATOM 0 HE22 GLN A 38 1.280 11.825 -25.365 1.00 41.44 H new ATOM 549 N GLU A 39 -0.758 6.540 -29.714 1.00 64.50 N ATOM 550 CA GLU A 39 -0.988 5.105 -29.592 1.00 25.25 C ATOM 551 C GLU A 39 0.236 4.317 -30.051 1.00 33.40 C ATOM 552 O GLU A 39 0.464 3.191 -29.608 1.00 72.44 O ATOM 553 CB GLU A 39 -2.212 4.690 -30.410 1.00 40.42 C ATOM 554 CG GLU A 39 -2.406 3.186 -30.496 1.00 32.24 C ATOM 555 CD GLU A 39 -3.846 2.798 -30.772 1.00 1.21 C ATOM 556 OE1 GLU A 39 -4.594 3.642 -31.308 1.00 53.12 O ATOM 557 OE2 GLU A 39 -4.224 1.652 -30.452 1.00 13.11 O ATOM 0 H GLU A 39 -1.469 7.038 -30.249 1.00 64.50 H new ATOM 0 HA GLU A 39 -1.170 4.880 -28.541 1.00 25.25 H new ATOM 0 HB2 GLU A 39 -3.102 5.138 -29.968 1.00 40.42 H new ATOM 0 HB3 GLU A 39 -2.119 5.094 -31.418 1.00 40.42 H new ATOM 0 HG2 GLU A 39 -1.768 2.786 -31.284 1.00 32.24 H new ATOM 0 HG3 GLU A 39 -2.083 2.728 -29.561 1.00 32.24 H new ATOM 564 N ARG A 40 1.019 4.916 -30.942 1.00 15.53 N ATOM 565 CA ARG A 40 2.217 4.271 -31.463 1.00 22.20 C ATOM 566 C ARG A 40 3.384 4.426 -30.492 1.00 61.30 C ATOM 567 O ARG A 40 4.255 3.560 -30.411 1.00 12.02 O ATOM 568 CB ARG A 40 2.590 4.862 -32.824 1.00 2.13 C ATOM 569 CG ARG A 40 3.814 4.217 -33.453 1.00 43.51 C ATOM 570 CD ARG A 40 3.691 2.702 -33.487 1.00 13.21 C ATOM 571 NE ARG A 40 2.523 2.265 -34.248 1.00 2.23 N ATOM 572 CZ ARG A 40 2.093 1.009 -34.276 1.00 72.24 C ATOM 573 NH1 ARG A 40 2.730 0.070 -33.590 1.00 2.40 N ATOM 574 NH2 ARG A 40 1.022 0.689 -34.992 1.00 44.04 N ATOM 0 H ARG A 40 0.845 5.848 -31.318 1.00 15.53 H new ATOM 0 HA ARG A 40 2.004 3.209 -31.582 1.00 22.20 H new ATOM 0 HB2 ARG A 40 1.744 4.753 -33.502 1.00 2.13 H new ATOM 0 HB3 ARG A 40 2.771 5.931 -32.709 1.00 2.13 H new ATOM 0 HG2 ARG A 40 3.945 4.595 -34.467 1.00 43.51 H new ATOM 0 HG3 ARG A 40 4.704 4.498 -32.890 1.00 43.51 H new ATOM 0 HD2 ARG A 40 4.592 2.275 -33.928 1.00 13.21 H new ATOM 0 HD3 ARG A 40 3.623 2.321 -32.468 1.00 13.21 H new ATOM 0 HE ARG A 40 2.010 2.963 -34.787 1.00 2.23 H new ATOM 0 HH11 ARG A 40 3.553 0.311 -33.038 1.00 2.40 H new ATOM 0 HH12 ARG A 40 2.397 -0.894 -33.614 1.00 2.40 H new ATOM 0 HH21 ARG A 40 0.529 1.408 -35.521 1.00 44.04 H new ATOM 0 HH22 ARG A 40 0.692 -0.276 -35.013 1.00 44.04 H new ATOM 588 N GLU A 41 3.394 5.534 -29.759 1.00 11.44 N ATOM 589 CA GLU A 41 4.455 5.802 -28.795 1.00 13.54 C ATOM 590 C GLU A 41 4.104 5.227 -27.425 1.00 53.25 C ATOM 591 O GLU A 41 4.859 5.378 -26.464 1.00 14.11 O ATOM 592 CB GLU A 41 4.701 7.308 -28.679 1.00 41.25 C ATOM 593 CG GLU A 41 5.099 7.962 -29.992 1.00 71.01 C ATOM 594 CD GLU A 41 6.434 8.676 -29.907 1.00 60.23 C ATOM 595 OE1 GLU A 41 7.427 8.141 -30.444 1.00 0.11 O ATOM 596 OE2 GLU A 41 6.486 9.768 -29.305 1.00 3.14 O ATOM 0 H GLU A 41 2.680 6.260 -29.814 1.00 11.44 H new ATOM 0 HA GLU A 41 5.364 5.318 -29.151 1.00 13.54 H new ATOM 0 HB2 GLU A 41 3.797 7.787 -28.303 1.00 41.25 H new ATOM 0 HB3 GLU A 41 5.485 7.484 -27.943 1.00 41.25 H new ATOM 0 HG2 GLU A 41 5.147 7.202 -30.772 1.00 71.01 H new ATOM 0 HG3 GLU A 41 4.328 8.674 -30.287 1.00 71.01 H new ATOM 603 N LEU A 42 2.953 4.568 -27.345 1.00 2.13 N ATOM 604 CA LEU A 42 2.500 3.970 -26.094 1.00 23.04 C ATOM 605 C LEU A 42 3.501 2.935 -25.591 1.00 65.42 C ATOM 606 O LEU A 42 3.479 2.549 -24.422 1.00 31.40 O ATOM 607 CB LEU A 42 1.129 3.320 -26.283 1.00 72.24 C ATOM 608 CG LEU A 42 1.129 1.809 -26.521 1.00 1.25 C ATOM 609 CD1 LEU A 42 -0.295 1.278 -26.581 1.00 44.13 C ATOM 610 CD2 LEU A 42 1.882 1.470 -27.799 1.00 12.21 C ATOM 0 H LEU A 42 2.317 4.434 -28.131 1.00 2.13 H new ATOM 0 HA LEU A 42 2.420 4.762 -25.350 1.00 23.04 H new ATOM 0 HB2 LEU A 42 0.526 3.528 -25.400 1.00 72.24 H new ATOM 0 HB3 LEU A 42 0.635 3.801 -27.127 1.00 72.24 H new ATOM 0 HG LEU A 42 1.638 1.329 -25.686 1.00 1.25 H new ATOM 0 HD11 LEU A 42 -0.275 0.202 -26.751 1.00 44.13 H new ATOM 0 HD12 LEU A 42 -0.801 1.487 -25.639 1.00 44.13 H new ATOM 0 HD13 LEU A 42 -0.831 1.764 -27.396 1.00 44.13 H new ATOM 0 HD21 LEU A 42 1.872 0.391 -27.952 1.00 12.21 H new ATOM 0 HD22 LEU A 42 1.402 1.961 -28.645 1.00 12.21 H new ATOM 0 HD23 LEU A 42 2.913 1.815 -27.716 1.00 12.21 H new ATOM 622 N THR A 43 4.382 2.489 -26.482 1.00 51.13 N ATOM 623 CA THR A 43 5.392 1.500 -26.130 1.00 21.42 C ATOM 624 C THR A 43 6.543 2.139 -25.361 1.00 33.44 C ATOM 625 O THR A 43 6.799 1.818 -24.200 1.00 22.30 O ATOM 626 CB THR A 43 5.953 0.799 -27.382 1.00 20.14 C ATOM 627 OG1 THR A 43 5.416 1.403 -28.563 1.00 52.14 O ATOM 628 CG2 THR A 43 5.618 -0.685 -27.367 1.00 54.12 C ATOM 0 H THR A 43 4.416 2.798 -27.453 1.00 51.13 H new ATOM 0 HA THR A 43 4.902 0.760 -25.497 1.00 21.42 H new ATOM 0 HB THR A 43 7.037 0.910 -27.379 1.00 20.14 H new ATOM 0 HG1 THR A 43 5.779 0.953 -29.354 1.00 52.14 H new ATOM 0 HG21 THR A 43 6.024 -1.159 -28.261 1.00 54.12 H new ATOM 0 HG22 THR A 43 6.054 -1.147 -26.481 1.00 54.12 H new ATOM 0 HG23 THR A 43 4.536 -0.814 -27.348 1.00 54.12 H new ATOM 636 N PRO A 44 7.254 3.066 -26.020 1.00 35.34 N ATOM 637 CA PRO A 44 8.388 3.770 -25.416 1.00 3.33 C ATOM 638 C PRO A 44 7.953 4.740 -24.322 1.00 61.03 C ATOM 639 O PRO A 44 8.674 4.957 -23.348 1.00 4.32 O ATOM 640 CB PRO A 44 9.000 4.532 -26.594 1.00 3.33 C ATOM 641 CG PRO A 44 7.875 4.715 -27.553 1.00 31.43 C ATOM 642 CD PRO A 44 7.004 3.498 -27.405 1.00 72.20 C ATOM 0 HA PRO A 44 9.080 3.084 -24.928 1.00 3.33 H new ATOM 0 HB2 PRO A 44 9.409 5.491 -26.276 1.00 3.33 H new ATOM 0 HB3 PRO A 44 9.818 3.971 -27.046 1.00 3.33 H new ATOM 0 HG2 PRO A 44 7.316 5.624 -27.331 1.00 31.43 H new ATOM 0 HG3 PRO A 44 8.244 4.809 -28.574 1.00 31.43 H new ATOM 0 HD2 PRO A 44 5.953 3.734 -27.569 1.00 72.20 H new ATOM 0 HD3 PRO A 44 7.272 2.722 -28.122 1.00 72.20 H new ATOM 650 N LEU A 45 6.770 5.320 -24.489 1.00 52.24 N ATOM 651 CA LEU A 45 6.238 6.267 -23.516 1.00 13.23 C ATOM 652 C LEU A 45 5.861 5.560 -22.218 1.00 33.10 C ATOM 653 O LEU A 45 5.828 6.173 -21.151 1.00 2.40 O ATOM 654 CB LEU A 45 5.017 6.988 -24.090 1.00 50.03 C ATOM 655 CG LEU A 45 5.291 7.963 -25.236 1.00 11.45 C ATOM 656 CD1 LEU A 45 3.986 8.474 -25.825 1.00 54.34 C ATOM 657 CD2 LEU A 45 6.151 9.123 -24.754 1.00 53.12 C ATOM 0 H LEU A 45 6.161 5.151 -25.289 1.00 52.24 H new ATOM 0 HA LEU A 45 7.015 7.000 -23.297 1.00 13.23 H new ATOM 0 HB2 LEU A 45 4.308 6.238 -24.440 1.00 50.03 H new ATOM 0 HB3 LEU A 45 4.530 7.535 -23.283 1.00 50.03 H new ATOM 0 HG LEU A 45 5.835 7.433 -26.017 1.00 11.45 H new ATOM 0 HD11 LEU A 45 4.201 9.166 -26.639 1.00 54.34 H new ATOM 0 HD12 LEU A 45 3.406 7.634 -26.207 1.00 54.34 H new ATOM 0 HD13 LEU A 45 3.415 8.988 -25.052 1.00 54.34 H new ATOM 0 HD21 LEU A 45 6.336 9.807 -25.582 1.00 53.12 H new ATOM 0 HD22 LEU A 45 5.633 9.653 -23.955 1.00 53.12 H new ATOM 0 HD23 LEU A 45 7.101 8.741 -24.380 1.00 53.12 H new ATOM 669 N PHE A 46 5.578 4.265 -22.316 1.00 43.14 N ATOM 670 CA PHE A 46 5.205 3.473 -21.150 1.00 52.32 C ATOM 671 C PHE A 46 6.207 2.347 -20.913 1.00 42.54 C ATOM 672 O PHE A 46 5.914 1.378 -20.214 1.00 44.21 O ATOM 673 CB PHE A 46 3.801 2.892 -21.330 1.00 70.14 C ATOM 674 CG PHE A 46 2.742 3.936 -21.539 1.00 51.20 C ATOM 675 CD1 PHE A 46 1.719 3.732 -22.450 1.00 74.25 C ATOM 676 CD2 PHE A 46 2.770 5.123 -20.824 1.00 31.21 C ATOM 677 CE1 PHE A 46 0.742 4.691 -22.645 1.00 22.33 C ATOM 678 CE2 PHE A 46 1.796 6.085 -21.014 1.00 21.15 C ATOM 679 CZ PHE A 46 0.782 5.869 -21.926 1.00 13.22 C ATOM 0 H PHE A 46 5.600 3.742 -23.191 1.00 43.14 H new ATOM 0 HA PHE A 46 5.211 4.129 -20.280 1.00 52.32 H new ATOM 0 HB2 PHE A 46 3.804 2.213 -22.183 1.00 70.14 H new ATOM 0 HB3 PHE A 46 3.547 2.299 -20.452 1.00 70.14 H new ATOM 0 HD1 PHE A 46 1.684 2.812 -23.015 1.00 74.25 H new ATOM 0 HD2 PHE A 46 3.562 5.298 -20.111 1.00 31.21 H new ATOM 0 HE1 PHE A 46 -0.051 4.519 -23.358 1.00 22.33 H new ATOM 0 HE2 PHE A 46 1.828 7.005 -20.449 1.00 21.15 H new ATOM 0 HZ PHE A 46 0.021 6.621 -22.077 1.00 13.22 H new ATOM 689 N ALA A 47 7.391 2.484 -21.502 1.00 71.32 N ATOM 690 CA ALA A 47 8.437 1.480 -21.355 1.00 24.12 C ATOM 691 C ALA A 47 9.435 1.881 -20.274 1.00 11.45 C ATOM 692 O ALA A 47 10.325 1.108 -19.920 1.00 51.44 O ATOM 693 CB ALA A 47 9.152 1.264 -22.681 1.00 31.23 C ATOM 0 H ALA A 47 7.649 3.280 -22.085 1.00 71.32 H new ATOM 0 HA ALA A 47 7.967 0.544 -21.051 1.00 24.12 H new ATOM 0 HB1 ALA A 47 9.931 0.512 -22.556 1.00 31.23 H new ATOM 0 HB2 ALA A 47 8.436 0.924 -23.429 1.00 31.23 H new ATOM 0 HB3 ALA A 47 9.602 2.201 -23.008 1.00 31.23 H new ATOM 699 N GLN A 48 9.280 3.094 -19.753 1.00 12.41 N ATOM 700 CA GLN A 48 10.169 3.598 -18.713 1.00 32.15 C ATOM 701 C GLN A 48 10.146 2.687 -17.489 1.00 51.42 C ATOM 702 O GLN A 48 9.112 2.130 -17.119 1.00 63.14 O ATOM 703 CB GLN A 48 9.767 5.019 -18.313 1.00 64.10 C ATOM 704 CG GLN A 48 9.684 5.980 -19.487 1.00 54.45 C ATOM 705 CD GLN A 48 11.045 6.321 -20.061 1.00 10.43 C ATOM 706 OE1 GLN A 48 12.076 6.046 -19.447 1.00 44.11 O ATOM 707 NE2 GLN A 48 11.055 6.924 -21.244 1.00 3.32 N ATOM 0 H GLN A 48 8.547 3.746 -20.034 1.00 12.41 H new ATOM 0 HA GLN A 48 11.183 3.614 -19.113 1.00 32.15 H new ATOM 0 HB2 GLN A 48 8.800 4.987 -17.811 1.00 64.10 H new ATOM 0 HB3 GLN A 48 10.488 5.402 -17.591 1.00 64.10 H new ATOM 0 HG2 GLN A 48 9.065 5.540 -20.268 1.00 54.45 H new ATOM 0 HG3 GLN A 48 9.189 6.897 -19.167 1.00 54.45 H new ATOM 0 HE21 GLN A 48 10.176 7.133 -21.717 1.00 3.32 H new ATOM 0 HE22 GLN A 48 11.942 7.178 -21.679 1.00 3.32 H new ATOM 716 N PRO A 49 11.312 2.531 -16.845 1.00 40.42 N ATOM 717 CA PRO A 49 11.452 1.689 -15.654 1.00 13.25 C ATOM 718 C PRO A 49 10.748 2.283 -14.438 1.00 74.12 C ATOM 719 O PRO A 49 10.638 1.638 -13.396 1.00 22.20 O ATOM 720 CB PRO A 49 12.965 1.645 -15.426 1.00 73.51 C ATOM 721 CG PRO A 49 13.479 2.894 -16.053 1.00 1.31 C ATOM 722 CD PRO A 49 12.584 3.166 -17.230 1.00 71.33 C ATOM 0 HA PRO A 49 10.999 0.707 -15.794 1.00 13.25 H new ATOM 0 HB2 PRO A 49 13.204 1.608 -14.363 1.00 73.51 H new ATOM 0 HB3 PRO A 49 13.409 0.761 -15.884 1.00 73.51 H new ATOM 0 HG2 PRO A 49 13.456 3.723 -15.346 1.00 1.31 H new ATOM 0 HG3 PRO A 49 14.515 2.774 -16.370 1.00 1.31 H new ATOM 0 HD2 PRO A 49 12.463 4.235 -17.404 1.00 71.33 H new ATOM 0 HD3 PRO A 49 12.986 2.737 -18.148 1.00 71.33 H new ATOM 730 N ALA A 50 10.271 3.516 -14.580 1.00 24.54 N ATOM 731 CA ALA A 50 9.576 4.195 -13.494 1.00 35.12 C ATOM 732 C ALA A 50 8.097 3.824 -13.473 1.00 15.12 C ATOM 733 O ALA A 50 7.367 4.199 -12.555 1.00 40.24 O ATOM 734 CB ALA A 50 9.742 5.702 -13.621 1.00 61.14 C ATOM 0 H ALA A 50 10.353 4.064 -15.436 1.00 24.54 H new ATOM 0 HA ALA A 50 10.019 3.870 -12.553 1.00 35.12 H new ATOM 0 HB1 ALA A 50 9.218 6.196 -12.803 1.00 61.14 H new ATOM 0 HB2 ALA A 50 10.801 5.956 -13.579 1.00 61.14 H new ATOM 0 HB3 ALA A 50 9.326 6.035 -14.572 1.00 61.14 H new ATOM 740 N GLN A 51 7.661 3.087 -14.489 1.00 65.24 N ATOM 741 CA GLN A 51 6.268 2.667 -14.587 1.00 45.20 C ATOM 742 C GLN A 51 5.899 1.734 -13.438 1.00 41.43 C ATOM 743 O GLN A 51 4.721 1.498 -13.173 1.00 34.43 O ATOM 744 CB GLN A 51 6.016 1.972 -15.926 1.00 30.42 C ATOM 745 CG GLN A 51 4.542 1.789 -16.248 1.00 34.22 C ATOM 746 CD GLN A 51 4.309 0.808 -17.380 1.00 51.44 C ATOM 747 OE1 GLN A 51 3.958 1.200 -18.494 1.00 4.21 O ATOM 748 NE2 GLN A 51 4.503 -0.475 -17.102 1.00 21.41 N ATOM 0 H GLN A 51 8.252 2.768 -15.256 1.00 65.24 H new ATOM 0 HA GLN A 51 5.641 3.556 -14.524 1.00 45.20 H new ATOM 0 HB2 GLN A 51 6.484 2.553 -16.721 1.00 30.42 H new ATOM 0 HB3 GLN A 51 6.501 0.996 -15.916 1.00 30.42 H new ATOM 0 HG2 GLN A 51 4.020 1.440 -15.357 1.00 34.22 H new ATOM 0 HG3 GLN A 51 4.110 2.754 -16.514 1.00 34.22 H new ATOM 0 HE21 GLN A 51 4.794 -0.756 -16.165 1.00 21.41 H new ATOM 0 HE22 GLN A 51 4.361 -1.181 -17.825 1.00 21.41 H new ATOM 757 N ARG A 52 6.914 1.208 -12.761 1.00 32.43 N ATOM 758 CA ARG A 52 6.695 0.299 -11.641 1.00 45.34 C ATOM 759 C ARG A 52 6.463 1.076 -10.349 1.00 20.24 C ATOM 760 O ARG A 52 5.764 0.609 -9.449 1.00 72.44 O ATOM 761 CB ARG A 52 7.893 -0.639 -11.477 1.00 54.23 C ATOM 762 CG ARG A 52 7.871 -1.433 -10.181 1.00 50.24 C ATOM 763 CD ARG A 52 6.587 -2.235 -10.041 1.00 31.20 C ATOM 764 NE ARG A 52 6.850 -3.643 -9.756 1.00 33.21 N ATOM 765 CZ ARG A 52 5.939 -4.476 -9.263 1.00 42.43 C ATOM 766 NH1 ARG A 52 4.713 -4.044 -9.003 1.00 0.40 N ATOM 767 NH2 ARG A 52 6.254 -5.743 -9.031 1.00 24.43 N ATOM 0 H ARG A 52 7.895 1.395 -12.968 1.00 32.43 H new ATOM 0 HA ARG A 52 5.805 -0.293 -11.854 1.00 45.34 H new ATOM 0 HB2 ARG A 52 7.919 -1.332 -12.318 1.00 54.23 H new ATOM 0 HB3 ARG A 52 8.811 -0.053 -11.519 1.00 54.23 H new ATOM 0 HG2 ARG A 52 8.727 -2.107 -10.151 1.00 50.24 H new ATOM 0 HG3 ARG A 52 7.971 -0.753 -9.335 1.00 50.24 H new ATOM 0 HD2 ARG A 52 5.980 -1.811 -9.242 1.00 31.20 H new ATOM 0 HD3 ARG A 52 6.006 -2.153 -10.960 1.00 31.20 H new ATOM 0 HE ARG A 52 7.784 -4.007 -9.946 1.00 33.21 H new ATOM 0 HH11 ARG A 52 4.467 -3.070 -9.181 1.00 0.40 H new ATOM 0 HH12 ARG A 52 4.016 -4.685 -8.625 1.00 0.40 H new ATOM 0 HH21 ARG A 52 7.196 -6.079 -9.231 1.00 24.43 H new ATOM 0 HH22 ARG A 52 5.554 -6.381 -8.653 1.00 24.43 H new ATOM 781 N ASP A 53 7.054 2.262 -10.263 1.00 2.31 N ATOM 782 CA ASP A 53 6.911 3.104 -9.081 1.00 4.13 C ATOM 783 C ASP A 53 6.063 4.334 -9.389 1.00 4.23 C ATOM 784 O ASP A 53 5.948 5.244 -8.566 1.00 33.40 O ATOM 785 CB ASP A 53 8.286 3.533 -8.565 1.00 32.13 C ATOM 786 CG ASP A 53 8.791 2.638 -7.450 1.00 14.44 C ATOM 787 OD1 ASP A 53 9.774 1.903 -7.677 1.00 44.34 O ATOM 788 OD2 ASP A 53 8.202 2.674 -6.349 1.00 5.12 O ATOM 0 H ASP A 53 7.637 2.663 -10.998 1.00 2.31 H new ATOM 0 HA ASP A 53 6.407 2.522 -8.309 1.00 4.13 H new ATOM 0 HB2 ASP A 53 9.000 3.521 -9.389 1.00 32.13 H new ATOM 0 HB3 ASP A 53 8.232 4.561 -8.206 1.00 32.13 H new ATOM 793 N LEU A 54 5.473 4.356 -10.578 1.00 50.54 N ATOM 794 CA LEU A 54 4.636 5.476 -10.996 1.00 71.33 C ATOM 795 C LEU A 54 3.306 4.982 -11.556 1.00 35.35 C ATOM 796 O LEU A 54 3.239 3.925 -12.184 1.00 30.15 O ATOM 797 CB LEU A 54 5.363 6.317 -12.047 1.00 14.43 C ATOM 798 CG LEU A 54 5.036 5.998 -13.506 1.00 11.20 C ATOM 799 CD1 LEU A 54 3.913 6.891 -14.009 1.00 55.42 C ATOM 800 CD2 LEU A 54 6.274 6.154 -14.376 1.00 44.53 C ATOM 0 H LEU A 54 5.558 3.612 -11.270 1.00 50.54 H new ATOM 0 HA LEU A 54 4.434 6.094 -10.121 1.00 71.33 H new ATOM 0 HB2 LEU A 54 5.133 7.367 -11.865 1.00 14.43 H new ATOM 0 HB3 LEU A 54 6.436 6.196 -11.901 1.00 14.43 H new ATOM 0 HG LEU A 54 4.703 4.962 -13.565 1.00 11.20 H new ATOM 0 HD11 LEU A 54 3.694 6.649 -15.049 1.00 55.42 H new ATOM 0 HD12 LEU A 54 3.021 6.730 -13.404 1.00 55.42 H new ATOM 0 HD13 LEU A 54 4.218 7.935 -13.935 1.00 55.42 H new ATOM 0 HD21 LEU A 54 6.023 5.923 -15.411 1.00 44.53 H new ATOM 0 HD22 LEU A 54 6.637 7.180 -14.311 1.00 44.53 H new ATOM 0 HD23 LEU A 54 7.050 5.471 -14.030 1.00 44.53 H new ATOM 812 N ARG A 55 2.249 5.754 -11.325 1.00 1.32 N ATOM 813 CA ARG A 55 0.921 5.396 -11.806 1.00 75.34 C ATOM 814 C ARG A 55 0.473 6.339 -12.919 1.00 15.21 C ATOM 815 O ARG A 55 1.175 7.290 -13.262 1.00 4.05 O ATOM 816 CB ARG A 55 -0.088 5.430 -10.657 1.00 33.10 C ATOM 817 CG ARG A 55 0.237 4.462 -9.532 1.00 24.44 C ATOM 818 CD ARG A 55 1.002 5.148 -8.410 1.00 74.51 C ATOM 819 NE ARG A 55 0.117 5.900 -7.525 1.00 55.43 N ATOM 820 CZ ARG A 55 0.437 6.241 -6.282 1.00 52.41 C ATOM 821 NH1 ARG A 55 1.615 5.899 -5.780 1.00 21.12 N ATOM 822 NH2 ARG A 55 -0.422 6.927 -5.539 1.00 33.13 N ATOM 0 H ARG A 55 2.287 6.632 -10.807 1.00 1.32 H new ATOM 0 HA ARG A 55 0.969 4.384 -12.208 1.00 75.34 H new ATOM 0 HB2 ARG A 55 -0.132 6.441 -10.253 1.00 33.10 H new ATOM 0 HB3 ARG A 55 -1.079 5.200 -11.048 1.00 33.10 H new ATOM 0 HG2 ARG A 55 -0.686 4.037 -9.138 1.00 24.44 H new ATOM 0 HG3 ARG A 55 0.827 3.633 -9.923 1.00 24.44 H new ATOM 0 HD2 ARG A 55 1.544 4.400 -7.831 1.00 74.51 H new ATOM 0 HD3 ARG A 55 1.745 5.821 -8.837 1.00 74.51 H new ATOM 0 HE ARG A 55 -0.797 6.179 -7.881 1.00 55.43 H new ATOM 0 HH11 ARG A 55 2.278 5.373 -6.349 1.00 21.12 H new ATOM 0 HH12 ARG A 55 1.858 6.162 -4.825 1.00 21.12 H new ATOM 0 HH21 ARG A 55 -1.329 7.193 -5.922 1.00 33.13 H new ATOM 0 HH22 ARG A 55 -0.175 7.188 -4.584 1.00 33.13 H new ATOM 836 N VAL A 56 -0.702 6.069 -13.480 1.00 20.02 N ATOM 837 CA VAL A 56 -1.244 6.893 -14.553 1.00 14.50 C ATOM 838 C VAL A 56 -2.749 6.693 -14.693 1.00 71.22 C ATOM 839 O VAL A 56 -3.225 5.567 -14.845 1.00 2.32 O ATOM 840 CB VAL A 56 -0.568 6.578 -15.900 1.00 64.31 C ATOM 841 CG1 VAL A 56 -0.608 5.083 -16.181 1.00 3.34 C ATOM 842 CG2 VAL A 56 -1.231 7.358 -17.025 1.00 33.40 C ATOM 0 H VAL A 56 -1.296 5.286 -13.209 1.00 20.02 H new ATOM 0 HA VAL A 56 -1.041 7.931 -14.288 1.00 14.50 H new ATOM 0 HB VAL A 56 0.476 6.885 -15.843 1.00 64.31 H new ATOM 0 HG11 VAL A 56 -0.126 4.879 -17.137 1.00 3.34 H new ATOM 0 HG12 VAL A 56 -0.083 4.550 -15.389 1.00 3.34 H new ATOM 0 HG13 VAL A 56 -1.644 4.747 -16.219 1.00 3.34 H new ATOM 0 HG21 VAL A 56 -0.740 7.123 -17.969 1.00 33.40 H new ATOM 0 HG22 VAL A 56 -2.284 7.085 -17.086 1.00 33.40 H new ATOM 0 HG23 VAL A 56 -1.144 8.426 -16.827 1.00 33.40 H new ATOM 852 N PHE A 57 -3.494 7.792 -14.642 1.00 74.22 N ATOM 853 CA PHE A 57 -4.947 7.737 -14.763 1.00 44.11 C ATOM 854 C PHE A 57 -5.401 8.286 -16.112 1.00 70.04 C ATOM 855 O PHE A 57 -5.014 9.384 -16.512 1.00 3.45 O ATOM 856 CB PHE A 57 -5.604 8.528 -13.630 1.00 51.24 C ATOM 857 CG PHE A 57 -5.449 7.885 -12.282 1.00 12.42 C ATOM 858 CD1 PHE A 57 -6.536 7.309 -11.646 1.00 35.44 C ATOM 859 CD2 PHE A 57 -4.216 7.858 -11.650 1.00 52.50 C ATOM 860 CE1 PHE A 57 -6.397 6.716 -10.405 1.00 33.14 C ATOM 861 CE2 PHE A 57 -4.071 7.267 -10.409 1.00 60.15 C ATOM 862 CZ PHE A 57 -5.163 6.696 -9.785 1.00 50.04 C ATOM 0 H PHE A 57 -3.116 8.731 -14.518 1.00 74.22 H new ATOM 0 HA PHE A 57 -5.254 6.693 -14.694 1.00 44.11 H new ATOM 0 HB2 PHE A 57 -5.172 9.528 -13.598 1.00 51.24 H new ATOM 0 HB3 PHE A 57 -6.666 8.646 -13.848 1.00 51.24 H new ATOM 0 HD1 PHE A 57 -7.504 7.323 -12.125 1.00 35.44 H new ATOM 0 HD2 PHE A 57 -3.359 8.304 -12.133 1.00 52.50 H new ATOM 0 HE1 PHE A 57 -7.253 6.269 -9.921 1.00 33.14 H new ATOM 0 HE2 PHE A 57 -3.104 7.252 -9.927 1.00 60.15 H new ATOM 0 HZ PHE A 57 -5.052 6.235 -8.815 1.00 50.04 H new ATOM 872 N LYS A 58 -6.225 7.513 -16.811 1.00 71.05 N ATOM 873 CA LYS A 58 -6.734 7.920 -18.116 1.00 33.51 C ATOM 874 C LYS A 58 -8.068 8.647 -17.977 1.00 5.53 C ATOM 875 O LYS A 58 -9.097 8.031 -17.701 1.00 50.13 O ATOM 876 CB LYS A 58 -6.900 6.699 -19.025 1.00 1.44 C ATOM 877 CG LYS A 58 -5.818 6.579 -20.084 1.00 21.43 C ATOM 878 CD LYS A 58 -4.704 5.646 -19.639 1.00 61.21 C ATOM 879 CE LYS A 58 -4.388 4.607 -20.704 1.00 75.22 C ATOM 880 NZ LYS A 58 -4.064 3.281 -20.107 1.00 55.45 N ATOM 0 H LYS A 58 -6.555 6.601 -16.496 1.00 71.05 H new ATOM 0 HA LYS A 58 -6.012 8.603 -18.563 1.00 33.51 H new ATOM 0 HB2 LYS A 58 -6.899 5.797 -18.412 1.00 1.44 H new ATOM 0 HB3 LYS A 58 -7.872 6.750 -19.515 1.00 1.44 H new ATOM 0 HG2 LYS A 58 -6.255 6.209 -21.012 1.00 21.43 H new ATOM 0 HG3 LYS A 58 -5.405 7.565 -20.297 1.00 21.43 H new ATOM 0 HD2 LYS A 58 -3.808 6.227 -19.418 1.00 61.21 H new ATOM 0 HD3 LYS A 58 -4.995 5.145 -18.716 1.00 61.21 H new ATOM 0 HE2 LYS A 58 -5.240 4.504 -21.375 1.00 75.22 H new ATOM 0 HE3 LYS A 58 -3.547 4.949 -21.307 1.00 75.22 H new ATOM 0 HZ1 LYS A 58 -3.855 2.601 -20.865 1.00 55.45 H new ATOM 0 HZ2 LYS A 58 -3.235 3.373 -19.486 1.00 55.45 H new ATOM 0 HZ3 LYS A 58 -4.876 2.942 -19.552 1.00 55.45 H new ATOM 894 N VAL A 59 -8.042 9.962 -18.170 1.00 42.41 N ATOM 895 CA VAL A 59 -9.249 10.774 -18.069 1.00 21.23 C ATOM 896 C VAL A 59 -9.774 11.152 -19.449 1.00 13.11 C ATOM 897 O VAL A 59 -9.000 11.416 -20.368 1.00 32.11 O ATOM 898 CB VAL A 59 -8.995 12.059 -17.258 1.00 60.32 C ATOM 899 CG1 VAL A 59 -7.770 12.790 -17.786 1.00 21.21 C ATOM 900 CG2 VAL A 59 -10.220 12.960 -17.292 1.00 42.31 C ATOM 0 H VAL A 59 -7.198 10.488 -18.397 1.00 42.41 H new ATOM 0 HA VAL A 59 -9.995 10.169 -17.553 1.00 21.23 H new ATOM 0 HB VAL A 59 -8.804 11.783 -16.221 1.00 60.32 H new ATOM 0 HG11 VAL A 59 -7.606 13.695 -17.201 1.00 21.21 H new ATOM 0 HG12 VAL A 59 -6.897 12.143 -17.705 1.00 21.21 H new ATOM 0 HG13 VAL A 59 -7.928 13.057 -18.831 1.00 21.21 H new ATOM 0 HG21 VAL A 59 -10.024 13.863 -16.714 1.00 42.31 H new ATOM 0 HG22 VAL A 59 -10.444 13.231 -18.324 1.00 42.31 H new ATOM 0 HG23 VAL A 59 -11.072 12.433 -16.862 1.00 42.31 H new ATOM 910 N ASN A 60 -11.096 11.177 -19.587 1.00 30.14 N ATOM 911 CA ASN A 60 -11.726 11.523 -20.856 1.00 1.25 C ATOM 912 C ASN A 60 -12.320 12.927 -20.803 1.00 11.45 C ATOM 913 O ASN A 60 -12.688 13.418 -19.735 1.00 20.33 O ATOM 914 CB ASN A 60 -12.817 10.508 -21.201 1.00 15.14 C ATOM 915 CG ASN A 60 -12.393 9.081 -20.911 1.00 2.43 C ATOM 916 OD1 ASN A 60 -13.098 8.339 -20.228 1.00 31.34 O ATOM 917 ND2 ASN A 60 -11.234 8.692 -21.430 1.00 13.00 N ATOM 0 H ASN A 60 -11.751 10.962 -18.836 1.00 30.14 H new ATOM 0 HA ASN A 60 -10.960 11.501 -21.631 1.00 1.25 H new ATOM 0 HB2 ASN A 60 -13.717 10.739 -20.632 1.00 15.14 H new ATOM 0 HB3 ASN A 60 -13.074 10.600 -22.256 1.00 15.14 H new ATOM 0 HD21 ASN A 60 -10.895 7.743 -21.268 1.00 13.00 H new ATOM 0 HD22 ASN A 60 -10.682 9.342 -21.990 1.00 13.00 H new ATOM 924 N PHE A 61 -12.411 13.569 -21.962 1.00 55.45 N ATOM 925 CA PHE A 61 -12.961 14.918 -22.049 1.00 23.41 C ATOM 926 C PHE A 61 -14.449 14.921 -21.711 1.00 4.43 C ATOM 927 O PHE A 61 -15.055 15.979 -21.541 1.00 40.44 O ATOM 928 CB PHE A 61 -12.743 15.491 -23.451 1.00 33.22 C ATOM 929 CG PHE A 61 -13.644 14.888 -24.491 1.00 45.01 C ATOM 930 CD1 PHE A 61 -14.768 15.568 -24.931 1.00 62.33 C ATOM 931 CD2 PHE A 61 -13.366 13.641 -25.028 1.00 43.44 C ATOM 932 CE1 PHE A 61 -15.598 15.016 -25.889 1.00 11.02 C ATOM 933 CE2 PHE A 61 -14.192 13.085 -25.986 1.00 51.04 C ATOM 934 CZ PHE A 61 -15.310 13.773 -26.416 1.00 73.52 C ATOM 0 H PHE A 61 -12.111 13.178 -22.855 1.00 55.45 H new ATOM 0 HA PHE A 61 -12.441 15.544 -21.324 1.00 23.41 H new ATOM 0 HB2 PHE A 61 -12.903 16.569 -23.423 1.00 33.22 H new ATOM 0 HB3 PHE A 61 -11.705 15.330 -23.743 1.00 33.22 H new ATOM 0 HD1 PHE A 61 -14.998 16.540 -24.521 1.00 62.33 H new ATOM 0 HD2 PHE A 61 -12.494 13.098 -24.694 1.00 43.44 H new ATOM 0 HE1 PHE A 61 -16.471 15.557 -26.225 1.00 11.02 H new ATOM 0 HE2 PHE A 61 -13.964 12.113 -26.398 1.00 51.04 H new ATOM 0 HZ PHE A 61 -15.958 13.339 -27.163 1.00 73.52 H new ATOM 944 N ASP A 62 -15.030 13.731 -21.615 1.00 33.12 N ATOM 945 CA ASP A 62 -16.447 13.596 -21.297 1.00 20.44 C ATOM 946 C ASP A 62 -16.659 13.504 -19.789 1.00 1.14 C ATOM 947 O ASP A 62 -17.787 13.594 -19.302 1.00 63.11 O ATOM 948 CB ASP A 62 -17.030 12.359 -21.982 1.00 24.41 C ATOM 949 CG ASP A 62 -16.571 12.224 -23.421 1.00 23.35 C ATOM 950 OD1 ASP A 62 -17.268 12.743 -24.317 1.00 43.43 O ATOM 951 OD2 ASP A 62 -15.514 11.599 -23.650 1.00 11.14 O ATOM 0 H ASP A 62 -14.542 12.846 -21.753 1.00 33.12 H new ATOM 0 HA ASP A 62 -16.963 14.483 -21.665 1.00 20.44 H new ATOM 0 HB2 ASP A 62 -16.739 11.468 -21.426 1.00 24.41 H new ATOM 0 HB3 ASP A 62 -18.118 12.411 -21.954 1.00 24.41 H new ATOM 956 N THR A 63 -15.567 13.324 -19.052 1.00 64.34 N ATOM 957 CA THR A 63 -15.633 13.218 -17.600 1.00 64.54 C ATOM 958 C THR A 63 -14.968 14.415 -16.931 1.00 30.02 C ATOM 959 O THR A 63 -15.287 14.756 -15.792 1.00 41.13 O ATOM 960 CB THR A 63 -14.960 11.925 -17.100 1.00 44.34 C ATOM 961 OG1 THR A 63 -15.249 10.845 -17.994 1.00 61.23 O ATOM 962 CG2 THR A 63 -15.438 11.573 -15.700 1.00 4.32 C ATOM 0 H THR A 63 -14.626 13.249 -19.438 1.00 64.34 H new ATOM 0 HA THR A 63 -16.689 13.196 -17.332 1.00 64.54 H new ATOM 0 HB THR A 63 -13.883 12.091 -17.068 1.00 44.34 H new ATOM 0 HG1 THR A 63 -14.816 10.028 -17.670 1.00 61.23 H new ATOM 0 HG21 THR A 63 -14.949 10.657 -15.368 1.00 4.32 H new ATOM 0 HG22 THR A 63 -15.190 12.385 -15.016 1.00 4.32 H new ATOM 0 HG23 THR A 63 -16.518 11.425 -15.711 1.00 4.32 H new ATOM 970 N GLN A 64 -14.044 15.049 -17.645 1.00 62.03 N ATOM 971 CA GLN A 64 -13.335 16.209 -17.119 1.00 3.14 C ATOM 972 C GLN A 64 -13.813 17.491 -17.792 1.00 1.32 C ATOM 973 O GLN A 64 -13.111 18.503 -17.796 1.00 24.52 O ATOM 974 CB GLN A 64 -11.827 16.046 -17.319 1.00 20.34 C ATOM 975 CG GLN A 64 -11.029 16.135 -16.028 1.00 42.50 C ATOM 976 CD GLN A 64 -9.596 16.574 -16.257 1.00 41.33 C ATOM 977 OE1 GLN A 64 -9.072 17.424 -15.537 1.00 1.15 O ATOM 978 NE2 GLN A 64 -8.953 15.996 -17.265 1.00 74.21 N ATOM 0 H GLN A 64 -13.769 14.779 -18.589 1.00 62.03 H new ATOM 0 HA GLN A 64 -13.547 16.279 -16.052 1.00 3.14 H new ATOM 0 HB2 GLN A 64 -11.633 15.082 -17.790 1.00 20.34 H new ATOM 0 HB3 GLN A 64 -11.475 16.814 -18.008 1.00 20.34 H new ATOM 0 HG2 GLN A 64 -11.516 16.837 -15.352 1.00 42.50 H new ATOM 0 HG3 GLN A 64 -11.033 15.163 -15.535 1.00 42.50 H new ATOM 0 HE21 GLN A 64 -9.425 15.296 -17.837 1.00 74.21 H new ATOM 0 HE22 GLN A 64 -7.987 16.252 -17.467 1.00 74.21 H new ATOM 987 N LYS A 65 -15.012 17.443 -18.361 1.00 75.32 N ATOM 988 CA LYS A 65 -15.586 18.600 -19.037 1.00 55.03 C ATOM 989 C LYS A 65 -15.410 19.863 -18.200 1.00 23.53 C ATOM 990 O LYS A 65 -15.257 20.959 -18.737 1.00 61.13 O ATOM 991 CB LYS A 65 -17.072 18.366 -19.320 1.00 13.52 C ATOM 992 CG LYS A 65 -17.796 19.601 -19.829 1.00 60.01 C ATOM 993 CD LYS A 65 -18.722 19.267 -20.987 1.00 22.34 C ATOM 994 CE LYS A 65 -19.986 18.572 -20.506 1.00 75.40 C ATOM 995 NZ LYS A 65 -21.215 19.279 -20.961 1.00 13.22 N ATOM 0 H LYS A 65 -15.606 16.614 -18.368 1.00 75.32 H new ATOM 0 HA LYS A 65 -15.059 18.735 -19.982 1.00 55.03 H new ATOM 0 HB2 LYS A 65 -17.172 17.568 -20.055 1.00 13.52 H new ATOM 0 HB3 LYS A 65 -17.557 18.021 -18.407 1.00 13.52 H new ATOM 0 HG2 LYS A 65 -18.372 20.046 -19.018 1.00 60.01 H new ATOM 0 HG3 LYS A 65 -17.067 20.346 -20.148 1.00 60.01 H new ATOM 0 HD2 LYS A 65 -18.988 20.181 -21.518 1.00 22.34 H new ATOM 0 HD3 LYS A 65 -18.201 18.626 -21.698 1.00 22.34 H new ATOM 0 HE2 LYS A 65 -19.999 17.546 -20.875 1.00 75.40 H new ATOM 0 HE3 LYS A 65 -19.979 18.519 -19.417 1.00 75.40 H new ATOM 0 HZ1 LYS A 65 -22.055 18.774 -20.613 1.00 13.22 H new ATOM 0 HZ2 LYS A 65 -21.215 20.250 -20.588 1.00 13.22 H new ATOM 0 HZ3 LYS A 65 -21.234 19.307 -22.000 1.00 13.22 H new ATOM 1009 N ALA A 66 -15.430 19.700 -16.881 1.00 33.12 N ATOM 1010 CA ALA A 66 -15.269 20.826 -15.970 1.00 3.03 C ATOM 1011 C ALA A 66 -13.973 21.579 -16.252 1.00 54.42 C ATOM 1012 O ALA A 66 -13.927 22.806 -16.168 1.00 41.23 O ATOM 1013 CB ALA A 66 -15.298 20.346 -14.526 1.00 70.53 C ATOM 0 H ALA A 66 -15.556 18.799 -16.420 1.00 33.12 H new ATOM 0 HA ALA A 66 -16.101 21.512 -16.130 1.00 3.03 H new ATOM 0 HB1 ALA A 66 -15.177 21.198 -13.857 1.00 70.53 H new ATOM 0 HB2 ALA A 66 -16.252 19.859 -14.324 1.00 70.53 H new ATOM 0 HB3 ALA A 66 -14.486 19.637 -14.362 1.00 70.53 H new ATOM 1019 N ALA A 67 -12.923 20.837 -16.587 1.00 33.33 N ATOM 1020 CA ALA A 67 -11.628 21.435 -16.883 1.00 4.12 C ATOM 1021 C ALA A 67 -11.681 22.251 -18.170 1.00 61.10 C ATOM 1022 O ALA A 67 -11.411 23.453 -18.167 1.00 71.32 O ATOM 1023 CB ALA A 67 -10.559 20.357 -16.983 1.00 23.11 C ATOM 0 H ALA A 67 -12.944 19.820 -16.660 1.00 33.33 H new ATOM 0 HA ALA A 67 -11.372 22.110 -16.066 1.00 4.12 H new ATOM 0 HB1 ALA A 67 -9.597 20.818 -17.205 1.00 23.11 H new ATOM 0 HB2 ALA A 67 -10.495 19.820 -16.037 1.00 23.11 H new ATOM 0 HB3 ALA A 67 -10.819 19.660 -17.779 1.00 23.11 H new ATOM 1029 N LEU A 68 -12.030 21.591 -19.269 1.00 24.00 N ATOM 1030 CA LEU A 68 -12.118 22.255 -20.565 1.00 3.32 C ATOM 1031 C LEU A 68 -13.168 23.361 -20.539 1.00 42.34 C ATOM 1032 O LEU A 68 -13.082 24.329 -21.295 1.00 62.54 O ATOM 1033 CB LEU A 68 -12.456 21.240 -21.658 1.00 43.43 C ATOM 1034 CG LEU A 68 -13.507 20.190 -21.298 1.00 2.14 C ATOM 1035 CD1 LEU A 68 -14.903 20.698 -21.623 1.00 43.32 C ATOM 1036 CD2 LEU A 68 -13.229 18.884 -22.028 1.00 43.51 C ATOM 0 H LEU A 68 -12.257 20.597 -19.289 1.00 24.00 H new ATOM 0 HA LEU A 68 -11.149 22.704 -20.783 1.00 3.32 H new ATOM 0 HB2 LEU A 68 -12.802 21.784 -22.537 1.00 43.43 H new ATOM 0 HB3 LEU A 68 -11.539 20.724 -21.943 1.00 43.43 H new ATOM 0 HG LEU A 68 -13.452 20.002 -20.226 1.00 2.14 H new ATOM 0 HD11 LEU A 68 -15.638 19.937 -21.360 1.00 43.32 H new ATOM 0 HD12 LEU A 68 -15.101 21.606 -21.054 1.00 43.32 H new ATOM 0 HD13 LEU A 68 -14.972 20.916 -22.689 1.00 43.32 H new ATOM 0 HD21 LEU A 68 -13.987 18.148 -21.759 1.00 43.51 H new ATOM 0 HD22 LEU A 68 -13.255 19.056 -23.104 1.00 43.51 H new ATOM 0 HD23 LEU A 68 -12.245 18.511 -21.744 1.00 43.51 H new ATOM 1048 N GLN A 69 -14.156 23.212 -19.664 1.00 34.43 N ATOM 1049 CA GLN A 69 -15.222 24.199 -19.539 1.00 51.03 C ATOM 1050 C GLN A 69 -14.801 25.342 -18.622 1.00 23.15 C ATOM 1051 O GLN A 69 -15.344 26.443 -18.698 1.00 50.40 O ATOM 1052 CB GLN A 69 -16.495 23.542 -19.003 1.00 71.35 C ATOM 1053 CG GLN A 69 -17.718 24.442 -19.069 1.00 34.13 C ATOM 1054 CD GLN A 69 -17.992 24.954 -20.469 1.00 73.31 C ATOM 1055 OE1 GLN A 69 -17.805 26.136 -20.758 1.00 61.12 O ATOM 1056 NE2 GLN A 69 -18.439 24.064 -21.348 1.00 45.01 N ATOM 0 H GLN A 69 -14.241 22.417 -19.031 1.00 34.43 H new ATOM 0 HA GLN A 69 -15.422 24.607 -20.530 1.00 51.03 H new ATOM 0 HB2 GLN A 69 -16.692 22.633 -19.572 1.00 71.35 H new ATOM 0 HB3 GLN A 69 -16.331 23.241 -17.968 1.00 71.35 H new ATOM 0 HG2 GLN A 69 -18.588 23.892 -18.711 1.00 34.13 H new ATOM 0 HG3 GLN A 69 -17.577 25.289 -18.398 1.00 34.13 H new ATOM 0 HE21 GLN A 69 -18.580 23.094 -21.065 1.00 45.01 H new ATOM 0 HE22 GLN A 69 -18.642 24.350 -22.306 1.00 45.01 H new ATOM 1065 N GLN A 70 -13.830 25.071 -17.755 1.00 11.22 N ATOM 1066 CA GLN A 70 -13.337 26.077 -16.822 1.00 13.43 C ATOM 1067 C GLN A 70 -12.186 26.869 -17.433 1.00 11.21 C ATOM 1068 O GLN A 70 -12.059 28.073 -17.209 1.00 55.33 O ATOM 1069 CB GLN A 70 -12.883 25.416 -15.519 1.00 44.53 C ATOM 1070 CG GLN A 70 -12.264 26.388 -14.527 1.00 51.45 C ATOM 1071 CD GLN A 70 -12.384 25.913 -13.093 1.00 10.52 C ATOM 1072 OE1 GLN A 70 -11.897 24.839 -12.740 1.00 33.13 O ATOM 1073 NE2 GLN A 70 -13.035 26.714 -12.256 1.00 65.14 N ATOM 0 H GLN A 70 -13.370 24.164 -17.680 1.00 11.22 H new ATOM 0 HA GLN A 70 -14.153 26.766 -16.606 1.00 13.43 H new ATOM 0 HB2 GLN A 70 -13.738 24.928 -15.052 1.00 44.53 H new ATOM 0 HB3 GLN A 70 -12.158 24.635 -15.751 1.00 44.53 H new ATOM 0 HG2 GLN A 70 -11.211 26.530 -14.772 1.00 51.45 H new ATOM 0 HG3 GLN A 70 -12.748 27.360 -14.626 1.00 51.45 H new ATOM 0 HE21 GLN A 70 -13.423 27.596 -12.592 1.00 65.14 H new ATOM 0 HE22 GLN A 70 -13.147 26.447 -11.278 1.00 65.14 H new ATOM 1082 N PHE A 71 -11.348 26.185 -18.205 1.00 53.22 N ATOM 1083 CA PHE A 71 -10.206 26.824 -18.848 1.00 11.51 C ATOM 1084 C PHE A 71 -10.516 27.154 -20.305 1.00 13.40 C ATOM 1085 O PHE A 71 -9.724 27.805 -20.987 1.00 74.24 O ATOM 1086 CB PHE A 71 -8.976 25.918 -18.769 1.00 72.42 C ATOM 1087 CG PHE A 71 -7.713 26.650 -18.415 1.00 34.53 C ATOM 1088 CD1 PHE A 71 -6.830 27.052 -19.403 1.00 25.12 C ATOM 1089 CD2 PHE A 71 -7.410 26.935 -17.093 1.00 71.41 C ATOM 1090 CE1 PHE A 71 -5.667 27.726 -19.080 1.00 63.01 C ATOM 1091 CE2 PHE A 71 -6.249 27.609 -16.764 1.00 72.44 C ATOM 1092 CZ PHE A 71 -5.376 28.004 -17.759 1.00 22.31 C ATOM 0 H PHE A 71 -11.438 25.188 -18.400 1.00 53.22 H new ATOM 0 HA PHE A 71 -9.998 27.754 -18.320 1.00 11.51 H new ATOM 0 HB2 PHE A 71 -9.155 25.140 -18.027 1.00 72.42 H new ATOM 0 HB3 PHE A 71 -8.840 25.419 -19.728 1.00 72.42 H new ATOM 0 HD1 PHE A 71 -7.052 26.837 -20.438 1.00 25.12 H new ATOM 0 HD2 PHE A 71 -8.089 26.627 -16.311 1.00 71.41 H new ATOM 0 HE1 PHE A 71 -4.987 28.035 -19.860 1.00 63.01 H new ATOM 0 HE2 PHE A 71 -6.025 27.827 -15.730 1.00 72.44 H new ATOM 0 HZ PHE A 71 -4.467 28.529 -17.504 1.00 22.31 H new ATOM 1102 N ARG A 72 -11.674 26.701 -20.775 1.00 23.43 N ATOM 1103 CA ARG A 72 -12.089 26.945 -22.151 1.00 5.42 C ATOM 1104 C ARG A 72 -11.119 26.296 -23.134 1.00 54.14 C ATOM 1105 O ARG A 72 -10.597 26.955 -24.034 1.00 22.33 O ATOM 1106 CB ARG A 72 -12.174 28.449 -22.420 1.00 75.22 C ATOM 1107 CG ARG A 72 -13.016 29.203 -21.404 1.00 32.44 C ATOM 1108 CD ARG A 72 -12.253 30.375 -20.808 1.00 41.54 C ATOM 1109 NE ARG A 72 -12.478 31.611 -21.554 1.00 74.55 N ATOM 1110 CZ ARG A 72 -13.580 32.345 -21.445 1.00 71.51 C ATOM 1111 NH1 ARG A 72 -14.551 31.970 -20.624 1.00 75.12 N ATOM 1112 NH2 ARG A 72 -13.712 33.456 -22.157 1.00 44.35 N ATOM 0 H ARG A 72 -12.342 26.163 -20.223 1.00 23.43 H new ATOM 0 HA ARG A 72 -13.074 26.501 -22.292 1.00 5.42 H new ATOM 0 HB2 ARG A 72 -11.167 28.866 -22.426 1.00 75.22 H new ATOM 0 HB3 ARG A 72 -12.591 28.609 -23.415 1.00 75.22 H new ATOM 0 HG2 ARG A 72 -13.926 29.565 -21.882 1.00 32.44 H new ATOM 0 HG3 ARG A 72 -13.322 28.524 -20.608 1.00 32.44 H new ATOM 0 HD2 ARG A 72 -12.558 30.517 -19.771 1.00 41.54 H new ATOM 0 HD3 ARG A 72 -11.187 30.146 -20.798 1.00 41.54 H new ATOM 0 HE ARG A 72 -11.749 31.928 -22.193 1.00 74.55 H new ATOM 0 HH11 ARG A 72 -14.453 31.116 -20.074 1.00 75.12 H new ATOM 0 HH12 ARG A 72 -15.396 32.535 -20.542 1.00 75.12 H new ATOM 0 HH21 ARG A 72 -12.967 33.748 -22.789 1.00 44.35 H new ATOM 0 HH22 ARG A 72 -14.559 34.018 -22.072 1.00 44.35 H new ATOM 1126 N VAL A 73 -10.884 25.000 -22.957 1.00 4.03 N ATOM 1127 CA VAL A 73 -9.978 24.261 -23.828 1.00 40.24 C ATOM 1128 C VAL A 73 -10.708 23.135 -24.552 1.00 11.15 C ATOM 1129 O VAL A 73 -11.892 22.896 -24.314 1.00 21.54 O ATOM 1130 CB VAL A 73 -8.797 23.668 -23.037 1.00 71.23 C ATOM 1131 CG1 VAL A 73 -9.118 22.254 -22.579 1.00 33.44 C ATOM 1132 CG2 VAL A 73 -7.529 23.689 -23.877 1.00 51.55 C ATOM 0 H VAL A 73 -11.309 24.440 -22.218 1.00 4.03 H new ATOM 0 HA VAL A 73 -9.594 24.971 -24.561 1.00 40.24 H new ATOM 0 HB VAL A 73 -8.630 24.282 -22.152 1.00 71.23 H new ATOM 0 HG11 VAL A 73 -8.272 21.851 -22.022 1.00 33.44 H new ATOM 0 HG12 VAL A 73 -10.000 22.270 -21.938 1.00 33.44 H new ATOM 0 HG13 VAL A 73 -9.312 21.625 -23.448 1.00 33.44 H new ATOM 0 HG21 VAL A 73 -6.705 23.266 -23.302 1.00 51.55 H new ATOM 0 HG22 VAL A 73 -7.681 23.099 -24.781 1.00 51.55 H new ATOM 0 HG23 VAL A 73 -7.291 24.717 -24.151 1.00 51.55 H new ATOM 1142 N SER A 74 -9.994 22.446 -25.436 1.00 22.14 N ATOM 1143 CA SER A 74 -10.575 21.346 -26.197 1.00 4.12 C ATOM 1144 C SER A 74 -9.487 20.406 -26.708 1.00 74.15 C ATOM 1145 O SER A 74 -9.251 20.312 -27.912 1.00 65.24 O ATOM 1146 CB SER A 74 -11.392 21.887 -27.372 1.00 23.32 C ATOM 1147 OG SER A 74 -12.389 20.961 -27.768 1.00 42.13 O ATOM 0 H SER A 74 -9.012 22.630 -25.643 1.00 22.14 H new ATOM 0 HA SER A 74 -11.234 20.785 -25.534 1.00 4.12 H new ATOM 0 HB2 SER A 74 -11.859 22.831 -27.091 1.00 23.32 H new ATOM 0 HB3 SER A 74 -10.731 22.097 -28.213 1.00 23.32 H new ATOM 0 HG SER A 74 -12.899 21.330 -28.519 1.00 42.13 H new ATOM 1153 N GLN A 75 -8.830 19.713 -25.784 1.00 73.32 N ATOM 1154 CA GLN A 75 -7.768 18.780 -26.141 1.00 43.32 C ATOM 1155 C GLN A 75 -7.452 17.844 -24.980 1.00 33.34 C ATOM 1156 O GLN A 75 -7.519 18.239 -23.816 1.00 55.22 O ATOM 1157 CB GLN A 75 -6.508 19.544 -26.553 1.00 64.41 C ATOM 1158 CG GLN A 75 -6.137 19.362 -28.016 1.00 71.31 C ATOM 1159 CD GLN A 75 -5.050 20.318 -28.466 1.00 71.10 C ATOM 1160 OE1 GLN A 75 -3.904 20.225 -28.025 1.00 51.03 O ATOM 1161 NE2 GLN A 75 -5.405 21.244 -29.349 1.00 4.42 N ATOM 0 H GLN A 75 -9.014 19.780 -24.783 1.00 73.32 H new ATOM 0 HA GLN A 75 -8.113 18.180 -26.983 1.00 43.32 H new ATOM 0 HB2 GLN A 75 -6.655 20.605 -26.354 1.00 64.41 H new ATOM 0 HB3 GLN A 75 -5.675 19.216 -25.932 1.00 64.41 H new ATOM 0 HG2 GLN A 75 -5.804 18.337 -28.177 1.00 71.31 H new ATOM 0 HG3 GLN A 75 -7.024 19.510 -28.633 1.00 71.31 H new ATOM 0 HE21 GLN A 75 -6.366 21.284 -29.687 1.00 4.42 H new ATOM 0 HE22 GLN A 75 -4.716 21.915 -29.689 1.00 4.42 H new ATOM 1170 N GLN A 76 -7.109 16.601 -25.304 1.00 42.41 N ATOM 1171 CA GLN A 76 -6.784 15.609 -24.287 1.00 32.34 C ATOM 1172 C GLN A 76 -5.330 15.165 -24.403 1.00 44.30 C ATOM 1173 O GLN A 76 -5.040 14.076 -24.898 1.00 33.02 O ATOM 1174 CB GLN A 76 -7.710 14.398 -24.412 1.00 35.24 C ATOM 1175 CG GLN A 76 -8.128 14.096 -25.842 1.00 11.42 C ATOM 1176 CD GLN A 76 -6.946 13.983 -26.783 1.00 65.54 C ATOM 1177 OE1 GLN A 76 -6.544 14.960 -27.416 1.00 34.02 O ATOM 1178 NE2 GLN A 76 -6.380 12.785 -26.882 1.00 2.24 N ATOM 0 H GLN A 76 -7.049 16.258 -26.263 1.00 42.41 H new ATOM 0 HA GLN A 76 -6.927 16.069 -23.309 1.00 32.34 H new ATOM 0 HB2 GLN A 76 -7.209 13.524 -23.997 1.00 35.24 H new ATOM 0 HB3 GLN A 76 -8.602 14.570 -23.810 1.00 35.24 H new ATOM 0 HG2 GLN A 76 -8.694 13.165 -25.862 1.00 11.42 H new ATOM 0 HG3 GLN A 76 -8.795 14.882 -26.195 1.00 11.42 H new ATOM 0 HE21 GLN A 76 -6.745 12.002 -26.339 1.00 2.24 H new ATOM 0 HE22 GLN A 76 -5.581 12.648 -27.501 1.00 2.24 H new ATOM 1187 N SER A 77 -4.418 16.017 -23.944 1.00 60.14 N ATOM 1188 CA SER A 77 -2.993 15.715 -24.001 1.00 24.40 C ATOM 1189 C SER A 77 -2.278 16.231 -22.756 1.00 21.53 C ATOM 1190 O SER A 77 -1.049 16.302 -22.715 1.00 12.04 O ATOM 1191 CB SER A 77 -2.368 16.332 -25.254 1.00 11.02 C ATOM 1192 OG SER A 77 -0.956 16.222 -25.227 1.00 4.14 O ATOM 0 H SER A 77 -4.641 16.922 -23.529 1.00 60.14 H new ATOM 0 HA SER A 77 -2.878 14.632 -24.042 1.00 24.40 H new ATOM 0 HB2 SER A 77 -2.758 15.834 -26.142 1.00 11.02 H new ATOM 0 HB3 SER A 77 -2.653 17.382 -25.327 1.00 11.02 H new ATOM 0 HG SER A 77 -0.660 16.034 -24.312 1.00 4.14 H new ATOM 1198 N THR A 78 -3.057 16.590 -21.740 1.00 20.30 N ATOM 1199 CA THR A 78 -2.501 17.100 -20.493 1.00 43.35 C ATOM 1200 C THR A 78 -1.696 16.027 -19.770 1.00 32.41 C ATOM 1201 O THR A 78 -2.133 14.880 -19.656 1.00 2.55 O ATOM 1202 CB THR A 78 -3.607 17.617 -19.554 1.00 71.25 C ATOM 1203 OG1 THR A 78 -4.179 18.818 -20.085 1.00 60.42 O ATOM 1204 CG2 THR A 78 -3.054 17.884 -18.163 1.00 14.43 C ATOM 0 H THR A 78 -4.075 16.537 -21.757 1.00 20.30 H new ATOM 0 HA THR A 78 -1.843 17.928 -20.756 1.00 43.35 H new ATOM 0 HB THR A 78 -4.378 16.850 -19.480 1.00 71.25 H new ATOM 0 HG1 THR A 78 -4.882 19.139 -19.483 1.00 60.42 H new ATOM 0 HG21 THR A 78 -3.853 18.248 -17.517 1.00 14.43 H new ATOM 0 HG22 THR A 78 -2.646 16.961 -17.750 1.00 14.43 H new ATOM 0 HG23 THR A 78 -2.265 18.634 -18.223 1.00 14.43 H new ATOM 1212 N LEU A 79 -0.520 16.404 -19.282 1.00 64.21 N ATOM 1213 CA LEU A 79 0.347 15.472 -18.568 1.00 13.32 C ATOM 1214 C LEU A 79 1.041 16.162 -17.398 1.00 15.24 C ATOM 1215 O LEU A 79 1.626 17.234 -17.555 1.00 63.20 O ATOM 1216 CB LEU A 79 1.390 14.884 -19.519 1.00 20.30 C ATOM 1217 CG LEU A 79 1.803 13.436 -19.250 1.00 54.10 C ATOM 1218 CD1 LEU A 79 3.030 13.070 -20.070 1.00 30.32 C ATOM 1219 CD2 LEU A 79 2.067 13.224 -17.767 1.00 31.35 C ATOM 0 H LEU A 79 -0.144 17.348 -19.367 1.00 64.21 H new ATOM 0 HA LEU A 79 -0.273 14.666 -18.175 1.00 13.32 H new ATOM 0 HB2 LEU A 79 1.002 14.947 -20.536 1.00 20.30 H new ATOM 0 HB3 LEU A 79 2.282 15.509 -19.479 1.00 20.30 H new ATOM 0 HG LEU A 79 0.984 12.783 -19.550 1.00 54.10 H new ATOM 0 HD11 LEU A 79 3.309 12.036 -19.866 1.00 30.32 H new ATOM 0 HD12 LEU A 79 2.805 13.182 -21.131 1.00 30.32 H new ATOM 0 HD13 LEU A 79 3.856 13.729 -19.802 1.00 30.32 H new ATOM 0 HD21 LEU A 79 2.360 12.188 -17.594 1.00 31.35 H new ATOM 0 HD22 LEU A 79 2.869 13.887 -17.442 1.00 31.35 H new ATOM 0 HD23 LEU A 79 1.162 13.445 -17.201 1.00 31.35 H new ATOM 1231 N ILE A 80 0.972 15.540 -16.226 1.00 20.23 N ATOM 1232 CA ILE A 80 1.597 16.092 -15.030 1.00 55.42 C ATOM 1233 C ILE A 80 1.808 15.015 -13.972 1.00 63.33 C ATOM 1234 O ILE A 80 0.859 14.566 -13.328 1.00 51.33 O ATOM 1235 CB ILE A 80 0.750 17.229 -14.427 1.00 30.21 C ATOM 1236 CG1 ILE A 80 1.316 17.650 -13.069 1.00 50.43 C ATOM 1237 CG2 ILE A 80 -0.701 16.793 -14.290 1.00 31.35 C ATOM 1238 CD1 ILE A 80 2.765 18.081 -13.126 1.00 60.21 C ATOM 0 H ILE A 80 0.490 14.653 -16.079 1.00 20.23 H new ATOM 0 HA ILE A 80 2.564 16.492 -15.335 1.00 55.42 H new ATOM 0 HB ILE A 80 0.789 18.087 -15.098 1.00 30.21 H new ATOM 0 HG12 ILE A 80 0.717 18.470 -12.673 1.00 50.43 H new ATOM 0 HG13 ILE A 80 1.220 16.819 -12.371 1.00 50.43 H new ATOM 0 HG21 ILE A 80 -1.287 17.607 -13.863 1.00 31.35 H new ATOM 0 HG22 ILE A 80 -1.098 16.537 -15.272 1.00 31.35 H new ATOM 0 HG23 ILE A 80 -0.759 15.922 -13.637 1.00 31.35 H new ATOM 0 HD11 ILE A 80 3.099 18.366 -12.128 1.00 60.21 H new ATOM 0 HD12 ILE A 80 3.376 17.256 -13.492 1.00 60.21 H new ATOM 0 HD13 ILE A 80 2.865 18.933 -13.799 1.00 60.21 H new ATOM 1250 N LEU A 81 3.059 14.604 -13.797 1.00 23.14 N ATOM 1251 CA LEU A 81 3.397 13.579 -12.815 1.00 3.44 C ATOM 1252 C LEU A 81 3.977 14.207 -11.551 1.00 31.43 C ATOM 1253 O LEU A 81 5.102 14.707 -11.553 1.00 71.14 O ATOM 1254 CB LEU A 81 4.397 12.586 -13.409 1.00 32.52 C ATOM 1255 CG LEU A 81 5.002 11.577 -12.432 1.00 31.12 C ATOM 1256 CD1 LEU A 81 3.910 10.907 -11.612 1.00 23.11 C ATOM 1257 CD2 LEU A 81 5.824 10.537 -13.180 1.00 11.24 C ATOM 0 H LEU A 81 3.856 14.964 -14.322 1.00 23.14 H new ATOM 0 HA LEU A 81 2.482 13.049 -12.549 1.00 3.44 H new ATOM 0 HB2 LEU A 81 3.901 12.035 -14.208 1.00 32.52 H new ATOM 0 HB3 LEU A 81 5.209 13.150 -13.868 1.00 32.52 H new ATOM 0 HG LEU A 81 5.663 12.112 -11.750 1.00 31.12 H new ATOM 0 HD11 LEU A 81 4.359 10.192 -10.922 1.00 23.11 H new ATOM 0 HD12 LEU A 81 3.364 11.662 -11.047 1.00 23.11 H new ATOM 0 HD13 LEU A 81 3.223 10.385 -12.278 1.00 23.11 H new ATOM 0 HD21 LEU A 81 6.247 9.827 -12.469 1.00 11.24 H new ATOM 0 HD22 LEU A 81 5.185 10.006 -13.885 1.00 11.24 H new ATOM 0 HD23 LEU A 81 6.630 11.031 -13.722 1.00 11.24 H new ATOM 1269 N TYR A 82 3.202 14.174 -10.472 1.00 44.40 N ATOM 1270 CA TYR A 82 3.639 14.740 -9.201 1.00 35.22 C ATOM 1271 C TYR A 82 4.519 13.754 -8.439 1.00 70.43 C ATOM 1272 O TYR A 82 4.138 12.603 -8.222 1.00 52.34 O ATOM 1273 CB TYR A 82 2.429 15.124 -8.348 1.00 15.32 C ATOM 1274 CG TYR A 82 1.542 16.167 -8.990 1.00 54.00 C ATOM 1275 CD1 TYR A 82 1.823 17.522 -8.861 1.00 22.41 C ATOM 1276 CD2 TYR A 82 0.422 15.798 -9.725 1.00 11.00 C ATOM 1277 CE1 TYR A 82 1.016 18.478 -9.445 1.00 75.02 C ATOM 1278 CE2 TYR A 82 -0.391 16.747 -10.314 1.00 44.30 C ATOM 1279 CZ TYR A 82 -0.090 18.086 -10.171 1.00 62.12 C ATOM 1280 OH TYR A 82 -0.897 19.035 -10.755 1.00 75.42 O ATOM 0 H TYR A 82 2.269 13.762 -10.452 1.00 44.40 H new ATOM 0 HA TYR A 82 4.226 15.634 -9.413 1.00 35.22 H new ATOM 0 HB2 TYR A 82 1.838 14.230 -8.147 1.00 15.32 H new ATOM 0 HB3 TYR A 82 2.778 15.498 -7.385 1.00 15.32 H new ATOM 0 HD1 TYR A 82 2.688 17.833 -8.294 1.00 22.41 H new ATOM 0 HD2 TYR A 82 0.183 14.751 -9.838 1.00 11.00 H new ATOM 0 HE1 TYR A 82 1.249 19.527 -9.334 1.00 75.02 H new ATOM 0 HE2 TYR A 82 -1.257 16.443 -10.883 1.00 44.30 H new ATOM 0 HH TYR A 82 -1.631 18.593 -11.230 1.00 75.42 H new ATOM 1290 N ARG A 83 5.699 14.213 -8.036 1.00 13.54 N ATOM 1291 CA ARG A 83 6.635 13.373 -7.299 1.00 13.03 C ATOM 1292 C ARG A 83 6.829 13.893 -5.877 1.00 62.23 C ATOM 1293 O ARG A 83 7.593 14.829 -5.647 1.00 42.14 O ATOM 1294 CB ARG A 83 7.982 13.318 -8.022 1.00 32.24 C ATOM 1295 CG ARG A 83 9.009 12.437 -7.330 1.00 32.53 C ATOM 1296 CD ARG A 83 10.427 12.824 -7.718 1.00 21.12 C ATOM 1297 NE ARG A 83 10.782 14.157 -7.237 1.00 75.41 N ATOM 1298 CZ ARG A 83 11.992 14.688 -7.369 1.00 20.40 C ATOM 1299 NH1 ARG A 83 12.959 14.003 -7.964 1.00 32.41 N ATOM 1300 NH2 ARG A 83 12.237 15.907 -6.906 1.00 22.44 N ATOM 0 H ARG A 83 6.030 15.163 -8.208 1.00 13.54 H new ATOM 0 HA ARG A 83 6.218 12.367 -7.246 1.00 13.03 H new ATOM 0 HB2 ARG A 83 7.826 12.951 -9.036 1.00 32.24 H new ATOM 0 HB3 ARG A 83 8.381 14.329 -8.107 1.00 32.24 H new ATOM 0 HG2 ARG A 83 8.891 12.519 -6.249 1.00 32.53 H new ATOM 0 HG3 ARG A 83 8.831 11.394 -7.592 1.00 32.53 H new ATOM 0 HD2 ARG A 83 11.126 12.094 -7.311 1.00 21.12 H new ATOM 0 HD3 ARG A 83 10.528 12.791 -8.803 1.00 21.12 H new ATOM 0 HE ARG A 83 10.061 14.710 -6.774 1.00 75.41 H new ATOM 0 HH11 ARG A 83 12.774 13.066 -8.322 1.00 32.41 H new ATOM 0 HH12 ARG A 83 13.887 14.413 -8.064 1.00 32.41 H new ATOM 0 HH21 ARG A 83 11.496 16.437 -6.448 1.00 22.44 H new ATOM 0 HH22 ARG A 83 13.167 16.314 -7.008 1.00 22.44 H new ATOM 1314 N ASN A 84 6.132 13.278 -4.927 1.00 54.24 N ATOM 1315 CA ASN A 84 6.227 13.680 -3.529 1.00 34.55 C ATOM 1316 C ASN A 84 5.645 15.075 -3.322 1.00 74.41 C ATOM 1317 O ASN A 84 6.133 15.847 -2.498 1.00 34.42 O ATOM 1318 CB ASN A 84 7.685 13.649 -3.066 1.00 14.44 C ATOM 1319 CG ASN A 84 7.821 13.249 -1.609 1.00 73.12 C ATOM 1320 OD1 ASN A 84 7.138 12.339 -1.138 1.00 4.12 O ATOM 1321 ND2 ASN A 84 8.705 13.929 -0.889 1.00 1.00 N ATOM 0 H ASN A 84 5.496 12.500 -5.100 1.00 54.24 H new ATOM 0 HA ASN A 84 5.648 12.973 -2.934 1.00 34.55 H new ATOM 0 HB2 ASN A 84 8.245 12.949 -3.686 1.00 14.44 H new ATOM 0 HB3 ASN A 84 8.131 14.633 -3.213 1.00 14.44 H new ATOM 0 HD21 ASN A 84 8.840 13.705 0.097 1.00 1.00 H new ATOM 0 HD22 ASN A 84 9.249 14.675 -1.322 1.00 1.00 H new ATOM 1328 N GLY A 85 4.597 15.391 -4.077 1.00 72.43 N ATOM 1329 CA GLY A 85 3.965 16.692 -3.962 1.00 32.10 C ATOM 1330 C GLY A 85 4.741 17.779 -4.678 1.00 60.04 C ATOM 1331 O GLY A 85 4.710 18.941 -4.274 1.00 73.04 O ATOM 0 H GLY A 85 4.175 14.769 -4.766 1.00 72.43 H new ATOM 0 HA2 GLY A 85 2.956 16.640 -4.372 1.00 32.10 H new ATOM 0 HA3 GLY A 85 3.868 16.953 -2.908 1.00 32.10 H new ATOM 1335 N GLN A 86 5.440 17.401 -5.743 1.00 64.44 N ATOM 1336 CA GLN A 86 6.230 18.353 -6.516 1.00 22.54 C ATOM 1337 C GLN A 86 6.095 18.085 -8.011 1.00 52.51 C ATOM 1338 O GLN A 86 6.229 16.949 -8.462 1.00 61.42 O ATOM 1339 CB GLN A 86 7.701 18.279 -6.104 1.00 5.54 C ATOM 1340 CG GLN A 86 8.036 19.131 -4.889 1.00 62.25 C ATOM 1341 CD GLN A 86 9.501 19.052 -4.508 1.00 2.15 C ATOM 1342 OE1 GLN A 86 10.208 20.060 -4.501 1.00 11.41 O ATOM 1343 NE2 GLN A 86 9.966 17.850 -4.186 1.00 52.34 N ATOM 0 H GLN A 86 5.476 16.443 -6.091 1.00 64.44 H new ATOM 0 HA GLN A 86 5.851 19.354 -6.309 1.00 22.54 H new ATOM 0 HB2 GLN A 86 7.959 17.241 -5.892 1.00 5.54 H new ATOM 0 HB3 GLN A 86 8.321 18.597 -6.942 1.00 5.54 H new ATOM 0 HG2 GLN A 86 7.773 20.169 -5.094 1.00 62.25 H new ATOM 0 HG3 GLN A 86 7.427 18.809 -4.045 1.00 62.25 H new ATOM 0 HE21 GLN A 86 9.345 17.041 -4.205 1.00 52.34 H new ATOM 0 HE22 GLN A 86 10.944 17.736 -3.920 1.00 52.34 H new ATOM 1352 N GLU A 87 5.828 19.141 -8.774 1.00 33.10 N ATOM 1353 CA GLU A 87 5.673 19.019 -10.219 1.00 20.32 C ATOM 1354 C GLU A 87 7.033 18.953 -10.908 1.00 30.51 C ATOM 1355 O GLU A 87 7.790 19.924 -10.907 1.00 73.43 O ATOM 1356 CB GLU A 87 4.867 20.197 -10.769 1.00 51.12 C ATOM 1357 CG GLU A 87 5.441 21.554 -10.397 1.00 33.12 C ATOM 1358 CD GLU A 87 6.006 22.296 -11.592 1.00 54.42 C ATOM 1359 OE1 GLU A 87 5.393 22.224 -12.678 1.00 51.41 O ATOM 1360 OE2 GLU A 87 7.060 22.949 -11.442 1.00 74.22 O ATOM 0 H GLU A 87 5.715 20.089 -8.416 1.00 33.10 H new ATOM 0 HA GLU A 87 5.136 18.093 -10.424 1.00 20.32 H new ATOM 0 HB2 GLU A 87 4.819 20.118 -11.855 1.00 51.12 H new ATOM 0 HB3 GLU A 87 3.844 20.131 -10.399 1.00 51.12 H new ATOM 0 HG2 GLU A 87 4.662 22.159 -9.934 1.00 33.12 H new ATOM 0 HG3 GLU A 87 6.226 21.421 -9.653 1.00 33.12 H new ATOM 1367 N VAL A 88 7.337 17.799 -11.495 1.00 11.31 N ATOM 1368 CA VAL A 88 8.605 17.605 -12.188 1.00 53.13 C ATOM 1369 C VAL A 88 8.521 18.089 -13.632 1.00 23.43 C ATOM 1370 O VAL A 88 9.175 19.061 -14.010 1.00 60.21 O ATOM 1371 CB VAL A 88 9.029 16.124 -12.178 1.00 51.51 C ATOM 1372 CG1 VAL A 88 10.324 15.935 -12.953 1.00 72.43 C ATOM 1373 CG2 VAL A 88 9.175 15.622 -10.750 1.00 15.24 C ATOM 0 H VAL A 88 6.722 16.985 -11.504 1.00 11.31 H new ATOM 0 HA VAL A 88 9.352 18.192 -11.654 1.00 53.13 H new ATOM 0 HB VAL A 88 8.251 15.538 -12.667 1.00 51.51 H new ATOM 0 HG11 VAL A 88 10.608 14.883 -12.935 1.00 72.43 H new ATOM 0 HG12 VAL A 88 10.180 16.255 -13.985 1.00 72.43 H new ATOM 0 HG13 VAL A 88 11.113 16.532 -12.495 1.00 72.43 H new ATOM 0 HG21 VAL A 88 9.475 14.574 -10.762 1.00 15.24 H new ATOM 0 HG22 VAL A 88 9.933 16.211 -10.233 1.00 15.24 H new ATOM 0 HG23 VAL A 88 8.222 15.721 -10.230 1.00 15.24 H new ATOM 1383 N ARG A 89 7.712 17.404 -14.434 1.00 24.14 N ATOM 1384 CA ARG A 89 7.544 17.763 -15.836 1.00 53.14 C ATOM 1385 C ARG A 89 6.073 17.704 -16.240 1.00 22.03 C ATOM 1386 O ARG A 89 5.321 16.855 -15.760 1.00 4.41 O ATOM 1387 CB ARG A 89 8.366 16.829 -16.726 1.00 54.05 C ATOM 1388 CG ARG A 89 9.643 17.460 -17.256 1.00 22.14 C ATOM 1389 CD ARG A 89 10.746 17.446 -16.209 1.00 3.01 C ATOM 1390 NE ARG A 89 12.070 17.305 -16.810 1.00 74.53 N ATOM 1391 CZ ARG A 89 13.201 17.360 -16.117 1.00 65.42 C ATOM 1392 NH1 ARG A 89 13.171 17.552 -14.806 1.00 31.43 N ATOM 1393 NH2 ARG A 89 14.367 17.222 -16.736 1.00 62.10 N ATOM 0 H ARG A 89 7.163 16.598 -14.136 1.00 24.14 H new ATOM 0 HA ARG A 89 7.899 18.785 -15.968 1.00 53.14 H new ATOM 0 HB2 ARG A 89 8.621 15.933 -16.160 1.00 54.05 H new ATOM 0 HB3 ARG A 89 7.752 16.510 -17.568 1.00 54.05 H new ATOM 0 HG2 ARG A 89 9.975 16.922 -18.144 1.00 22.14 H new ATOM 0 HG3 ARG A 89 9.443 18.487 -17.562 1.00 22.14 H new ATOM 0 HD2 ARG A 89 10.707 18.368 -15.630 1.00 3.01 H new ATOM 0 HD3 ARG A 89 10.575 16.625 -15.513 1.00 3.01 H new ATOM 0 HE ARG A 89 12.129 17.156 -17.817 1.00 74.53 H new ATOM 0 HH11 ARG A 89 12.277 17.658 -14.326 1.00 31.43 H new ATOM 0 HH12 ARG A 89 14.042 17.594 -14.277 1.00 31.43 H new ATOM 0 HH21 ARG A 89 14.394 17.074 -17.745 1.00 62.10 H new ATOM 0 HH22 ARG A 89 15.236 17.264 -16.203 1.00 62.10 H new ATOM 1407 N ARG A 90 5.670 18.611 -17.123 1.00 45.25 N ATOM 1408 CA ARG A 90 4.290 18.663 -17.590 1.00 2.32 C ATOM 1409 C ARG A 90 4.191 19.419 -18.912 1.00 21.40 C ATOM 1410 O ARG A 90 4.933 20.371 -19.151 1.00 64.04 O ATOM 1411 CB ARG A 90 3.400 19.332 -16.540 1.00 71.45 C ATOM 1412 CG ARG A 90 3.742 20.792 -16.292 1.00 21.51 C ATOM 1413 CD ARG A 90 2.489 21.643 -16.161 1.00 30.13 C ATOM 1414 NE ARG A 90 2.794 23.071 -16.175 1.00 13.14 N ATOM 1415 CZ ARG A 90 1.880 24.019 -16.002 1.00 54.30 C ATOM 1416 NH1 ARG A 90 0.610 23.693 -15.803 1.00 61.41 N ATOM 1417 NH2 ARG A 90 2.235 25.298 -16.028 1.00 33.42 N ATOM 0 H ARG A 90 6.280 19.320 -17.530 1.00 45.25 H new ATOM 0 HA ARG A 90 3.948 17.641 -17.750 1.00 2.32 H new ATOM 0 HB2 ARG A 90 2.360 19.260 -16.859 1.00 71.45 H new ATOM 0 HB3 ARG A 90 3.484 18.784 -15.602 1.00 71.45 H new ATOM 0 HG2 ARG A 90 4.338 20.878 -15.384 1.00 21.51 H new ATOM 0 HG3 ARG A 90 4.354 21.168 -17.112 1.00 21.51 H new ATOM 0 HD2 ARG A 90 1.806 21.410 -16.978 1.00 30.13 H new ATOM 0 HD3 ARG A 90 1.975 21.391 -15.233 1.00 30.13 H new ATOM 0 HE ARG A 90 3.762 23.356 -16.326 1.00 13.14 H new ATOM 0 HH11 ARG A 90 0.333 22.712 -15.782 1.00 61.41 H new ATOM 0 HH12 ARG A 90 -0.089 24.424 -15.670 1.00 61.41 H new ATOM 0 HH21 ARG A 90 3.211 25.553 -16.181 1.00 33.42 H new ATOM 0 HH22 ARG A 90 1.532 26.025 -15.895 1.00 33.42 H new ATOM 1431 N SER A 91 3.270 18.986 -19.767 1.00 12.41 N ATOM 1432 CA SER A 91 3.076 19.619 -21.067 1.00 24.44 C ATOM 1433 C SER A 91 1.731 19.223 -21.668 1.00 42.53 C ATOM 1434 O SER A 91 1.165 18.186 -21.323 1.00 24.22 O ATOM 1435 CB SER A 91 4.208 19.230 -22.020 1.00 22.01 C ATOM 1436 OG SER A 91 5.124 20.299 -22.187 1.00 74.32 O ATOM 0 H SER A 91 2.647 18.200 -19.583 1.00 12.41 H new ATOM 0 HA SER A 91 3.086 20.699 -20.924 1.00 24.44 H new ATOM 0 HB2 SER A 91 4.731 18.356 -21.631 1.00 22.01 H new ATOM 0 HB3 SER A 91 3.793 18.948 -22.988 1.00 22.01 H new ATOM 0 HG SER A 91 5.372 20.657 -21.309 1.00 74.32 H new ATOM 1442 N ILE A 92 1.225 20.058 -22.570 1.00 4.32 N ATOM 1443 CA ILE A 92 -0.052 19.796 -23.221 1.00 12.44 C ATOM 1444 C ILE A 92 0.019 20.098 -24.714 1.00 24.42 C ATOM 1445 O ILE A 92 0.706 21.026 -25.138 1.00 40.11 O ATOM 1446 CB ILE A 92 -1.185 20.631 -22.594 1.00 22.22 C ATOM 1447 CG1 ILE A 92 -2.548 20.065 -22.998 1.00 0.34 C ATOM 1448 CG2 ILE A 92 -1.064 22.088 -23.014 1.00 72.11 C ATOM 1449 CD1 ILE A 92 -3.716 20.855 -22.450 1.00 51.44 C ATOM 0 H ILE A 92 1.680 20.921 -22.866 1.00 4.32 H new ATOM 0 HA ILE A 92 -0.268 18.737 -23.077 1.00 12.44 H new ATOM 0 HB ILE A 92 -1.098 20.578 -21.509 1.00 22.22 H new ATOM 0 HG12 ILE A 92 -2.614 20.041 -24.086 1.00 0.34 H new ATOM 0 HG13 ILE A 92 -2.622 19.034 -22.651 1.00 0.34 H new ATOM 0 HG21 ILE A 92 -1.871 22.665 -22.563 1.00 72.11 H new ATOM 0 HG22 ILE A 92 -0.105 22.484 -22.681 1.00 72.11 H new ATOM 0 HG23 ILE A 92 -1.129 22.160 -24.100 1.00 72.11 H new ATOM 0 HD11 ILE A 92 -4.650 20.397 -22.776 1.00 51.44 H new ATOM 0 HD12 ILE A 92 -3.674 20.858 -21.361 1.00 51.44 H new ATOM 0 HD13 ILE A 92 -3.667 21.880 -22.818 1.00 51.44 H new ATOM 1461 N GLY A 93 -0.697 19.306 -25.507 1.00 2.32 N ATOM 1462 CA GLY A 93 -0.702 19.505 -26.944 1.00 52.43 C ATOM 1463 C GLY A 93 0.357 18.681 -27.648 1.00 25.22 C ATOM 1464 O GLY A 93 1.096 19.194 -28.487 1.00 50.53 O ATOM 0 H GLY A 93 -1.273 18.531 -25.180 1.00 2.32 H new ATOM 0 HA2 GLY A 93 -1.683 19.244 -27.340 1.00 52.43 H new ATOM 0 HA3 GLY A 93 -0.541 20.561 -27.162 1.00 52.43 H new ATOM 1468 N GLU A 94 0.433 17.399 -27.303 1.00 42.04 N ATOM 1469 CA GLU A 94 1.413 16.503 -27.907 1.00 13.21 C ATOM 1470 C GLU A 94 2.834 16.935 -27.556 1.00 53.14 C ATOM 1471 O GLU A 94 3.291 18.002 -27.969 1.00 32.23 O ATOM 1472 CB GLU A 94 1.238 16.470 -29.427 1.00 2.04 C ATOM 1473 CG GLU A 94 2.045 15.378 -30.108 1.00 70.33 C ATOM 1474 CD GLU A 94 1.513 13.989 -29.813 1.00 32.11 C ATOM 1475 OE1 GLU A 94 0.283 13.848 -29.647 1.00 51.41 O ATOM 1476 OE2 GLU A 94 2.325 13.043 -29.747 1.00 43.03 O ATOM 0 H GLU A 94 -0.171 16.958 -26.610 1.00 42.04 H new ATOM 0 HA GLU A 94 1.247 15.502 -27.508 1.00 13.21 H new ATOM 0 HB2 GLU A 94 0.183 16.329 -29.660 1.00 2.04 H new ATOM 0 HB3 GLU A 94 1.529 17.436 -29.839 1.00 2.04 H new ATOM 0 HG2 GLU A 94 2.038 15.544 -31.185 1.00 70.33 H new ATOM 0 HG3 GLU A 94 3.083 15.442 -29.782 1.00 70.33 H new ATOM 1483 N THR A 95 3.529 16.099 -26.791 1.00 75.12 N ATOM 1484 CA THR A 95 4.896 16.394 -26.383 1.00 62.40 C ATOM 1485 C THR A 95 5.675 15.113 -26.106 1.00 2.14 C ATOM 1486 O THR A 95 5.149 14.010 -26.256 1.00 2.34 O ATOM 1487 CB THR A 95 4.928 17.283 -25.126 1.00 31.02 C ATOM 1488 OG1 THR A 95 3.671 17.211 -24.443 1.00 42.42 O ATOM 1489 CG2 THR A 95 5.230 18.728 -25.493 1.00 11.13 C ATOM 0 H THR A 95 3.167 15.212 -26.442 1.00 75.12 H new ATOM 0 HA THR A 95 5.364 16.930 -27.209 1.00 62.40 H new ATOM 0 HB THR A 95 5.719 16.919 -24.470 1.00 31.02 H new ATOM 0 HG1 THR A 95 3.074 17.910 -24.783 1.00 42.42 H new ATOM 0 HG21 THR A 95 5.247 19.337 -24.589 1.00 11.13 H new ATOM 0 HG22 THR A 95 6.200 18.783 -25.986 1.00 11.13 H new ATOM 0 HG23 THR A 95 4.459 19.101 -26.167 1.00 11.13 H new ATOM 1497 N SER A 96 6.932 15.266 -25.699 1.00 54.44 N ATOM 1498 CA SER A 96 7.784 14.121 -25.404 1.00 5.23 C ATOM 1499 C SER A 96 8.865 14.495 -24.393 1.00 74.11 C ATOM 1500 O SER A 96 8.885 14.013 -23.261 1.00 32.55 O ATOM 1501 CB SER A 96 8.431 13.595 -26.687 1.00 34.23 C ATOM 1502 OG SER A 96 7.819 12.388 -27.108 1.00 32.02 O ATOM 0 H SER A 96 7.382 16.172 -25.566 1.00 54.44 H new ATOM 0 HA SER A 96 7.161 13.338 -24.972 1.00 5.23 H new ATOM 0 HB2 SER A 96 8.346 14.344 -27.475 1.00 34.23 H new ATOM 0 HB3 SER A 96 9.495 13.428 -26.520 1.00 34.23 H new ATOM 0 HG SER A 96 8.249 12.073 -27.930 1.00 32.02 H new ATOM 1508 N PRO A 97 9.786 15.376 -24.811 1.00 73.34 N ATOM 1509 CA PRO A 97 10.886 15.835 -23.959 1.00 43.00 C ATOM 1510 C PRO A 97 10.405 16.730 -22.822 1.00 75.12 C ATOM 1511 O PRO A 97 11.144 17.000 -21.876 1.00 43.22 O ATOM 1512 CB PRO A 97 11.775 16.626 -24.922 1.00 73.14 C ATOM 1513 CG PRO A 97 10.854 17.077 -26.003 1.00 60.44 C ATOM 1514 CD PRO A 97 9.823 15.992 -26.148 1.00 62.55 C ATOM 0 HA PRO A 97 11.396 15.005 -23.471 1.00 43.00 H new ATOM 0 HB2 PRO A 97 12.244 17.474 -24.422 1.00 73.14 H new ATOM 0 HB3 PRO A 97 12.578 16.006 -25.319 1.00 73.14 H new ATOM 0 HG2 PRO A 97 10.387 18.028 -25.746 1.00 60.44 H new ATOM 0 HG3 PRO A 97 11.394 17.230 -26.937 1.00 60.44 H new ATOM 0 HD2 PRO A 97 8.851 16.396 -26.431 1.00 62.55 H new ATOM 0 HD3 PRO A 97 10.104 15.271 -26.915 1.00 62.55 H new ATOM 1522 N SER A 98 9.160 17.186 -22.921 1.00 41.43 N ATOM 1523 CA SER A 98 8.581 18.054 -21.902 1.00 72.14 C ATOM 1524 C SER A 98 7.696 17.257 -20.949 1.00 20.50 C ATOM 1525 O SER A 98 7.873 17.306 -19.732 1.00 65.03 O ATOM 1526 CB SER A 98 7.767 19.172 -22.557 1.00 31.21 C ATOM 1527 OG SER A 98 8.502 19.798 -23.594 1.00 3.12 O ATOM 0 H SER A 98 8.533 16.969 -23.696 1.00 41.43 H new ATOM 0 HA SER A 98 9.397 18.495 -21.329 1.00 72.14 H new ATOM 0 HB2 SER A 98 6.840 18.763 -22.960 1.00 31.21 H new ATOM 0 HB3 SER A 98 7.489 19.912 -21.806 1.00 31.21 H new ATOM 0 HG SER A 98 7.959 20.507 -23.997 1.00 3.12 H new ATOM 1533 N ALA A 99 6.742 16.522 -21.512 1.00 22.22 N ATOM 1534 CA ALA A 99 5.830 15.712 -20.713 1.00 65.04 C ATOM 1535 C ALA A 99 6.424 14.336 -20.429 1.00 53.22 C ATOM 1536 O ALA A 99 6.703 13.995 -19.279 1.00 65.12 O ATOM 1537 CB ALA A 99 4.490 15.575 -21.420 1.00 12.12 C ATOM 0 H ALA A 99 6.581 16.471 -22.518 1.00 22.22 H new ATOM 0 HA ALA A 99 5.675 16.216 -19.759 1.00 65.04 H new ATOM 0 HB1 ALA A 99 3.819 14.968 -20.813 1.00 12.12 H new ATOM 0 HB2 ALA A 99 4.053 16.563 -21.567 1.00 12.12 H new ATOM 0 HB3 ALA A 99 4.637 15.096 -22.388 1.00 12.12 H new ATOM 1543 N LEU A 100 6.613 13.550 -21.483 1.00 32.42 N ATOM 1544 CA LEU A 100 7.173 12.209 -21.346 1.00 53.44 C ATOM 1545 C LEU A 100 8.455 12.236 -20.521 1.00 12.45 C ATOM 1546 O LEU A 100 8.830 11.238 -19.905 1.00 51.34 O ATOM 1547 CB LEU A 100 7.453 11.610 -22.725 1.00 63.24 C ATOM 1548 CG LEU A 100 8.682 10.705 -22.826 1.00 73.24 C ATOM 1549 CD1 LEU A 100 8.460 9.415 -22.052 1.00 34.00 C ATOM 1550 CD2 LEU A 100 9.005 10.406 -24.283 1.00 23.51 C ATOM 0 H LEU A 100 6.387 13.817 -22.441 1.00 32.42 H new ATOM 0 HA LEU A 100 6.443 11.588 -20.828 1.00 53.44 H new ATOM 0 HB2 LEU A 100 6.579 11.038 -23.035 1.00 63.24 H new ATOM 0 HB3 LEU A 100 7.568 12.427 -23.437 1.00 63.24 H new ATOM 0 HG LEU A 100 9.531 11.227 -22.386 1.00 73.24 H new ATOM 0 HD11 LEU A 100 9.345 8.784 -22.135 1.00 34.00 H new ATOM 0 HD12 LEU A 100 8.277 9.647 -21.003 1.00 34.00 H new ATOM 0 HD13 LEU A 100 7.599 8.888 -22.462 1.00 34.00 H new ATOM 0 HD21 LEU A 100 9.882 9.761 -24.336 1.00 23.51 H new ATOM 0 HD22 LEU A 100 8.157 9.904 -24.748 1.00 23.51 H new ATOM 0 HD23 LEU A 100 9.208 11.339 -24.809 1.00 23.51 H new ATOM 1562 N SER A 101 9.122 13.386 -20.510 1.00 12.11 N ATOM 1563 CA SER A 101 10.363 13.543 -19.761 1.00 31.03 C ATOM 1564 C SER A 101 10.159 13.188 -18.291 1.00 13.21 C ATOM 1565 O SER A 101 11.114 12.889 -17.575 1.00 22.42 O ATOM 1566 CB SER A 101 10.880 14.978 -19.884 1.00 32.43 C ATOM 1567 OG SER A 101 12.120 15.016 -20.569 1.00 74.01 O ATOM 0 H SER A 101 8.823 14.223 -21.011 1.00 12.11 H new ATOM 0 HA SER A 101 11.102 12.861 -20.182 1.00 31.03 H new ATOM 0 HB2 SER A 101 10.149 15.587 -20.415 1.00 32.43 H new ATOM 0 HB3 SER A 101 10.996 15.413 -18.891 1.00 32.43 H new ATOM 0 HG SER A 101 12.203 15.867 -21.048 1.00 74.01 H new ATOM 1573 N ASP A 102 8.907 13.225 -17.849 1.00 33.33 N ATOM 1574 CA ASP A 102 8.575 12.906 -16.465 1.00 0.43 C ATOM 1575 C ASP A 102 8.368 11.405 -16.287 1.00 0.50 C ATOM 1576 O ASP A 102 8.524 10.873 -15.188 1.00 35.40 O ATOM 1577 CB ASP A 102 7.317 13.662 -16.032 1.00 64.15 C ATOM 1578 CG ASP A 102 7.377 14.104 -14.584 1.00 11.14 C ATOM 1579 OD1 ASP A 102 8.244 13.595 -13.843 1.00 2.13 O ATOM 1580 OD2 ASP A 102 6.557 14.960 -14.191 1.00 31.34 O ATOM 0 H ASP A 102 8.105 13.473 -18.429 1.00 33.33 H new ATOM 0 HA ASP A 102 9.410 13.216 -15.837 1.00 0.43 H new ATOM 0 HB2 ASP A 102 7.184 14.536 -16.670 1.00 64.15 H new ATOM 0 HB3 ASP A 102 6.445 13.024 -16.178 1.00 64.15 H new ATOM 1585 N PHE A 103 8.015 10.729 -17.375 1.00 44.01 N ATOM 1586 CA PHE A 103 7.785 9.290 -17.339 1.00 72.52 C ATOM 1587 C PHE A 103 9.106 8.529 -17.276 1.00 32.52 C ATOM 1588 O PHE A 103 9.160 7.394 -16.799 1.00 11.23 O ATOM 1589 CB PHE A 103 6.988 8.849 -18.568 1.00 74.54 C ATOM 1590 CG PHE A 103 5.875 7.891 -18.250 1.00 1.04 C ATOM 1591 CD1 PHE A 103 4.564 8.198 -18.576 1.00 61.15 C ATOM 1592 CD2 PHE A 103 6.140 6.684 -17.622 1.00 44.34 C ATOM 1593 CE1 PHE A 103 3.538 7.319 -18.285 1.00 20.12 C ATOM 1594 CE2 PHE A 103 5.119 5.801 -17.329 1.00 14.33 C ATOM 1595 CZ PHE A 103 3.816 6.119 -17.659 1.00 53.41 C ATOM 0 H PHE A 103 7.882 11.155 -18.292 1.00 44.01 H new ATOM 0 HA PHE A 103 7.211 9.062 -16.441 1.00 72.52 H new ATOM 0 HB2 PHE A 103 6.570 9.730 -19.055 1.00 74.54 H new ATOM 0 HB3 PHE A 103 7.666 8.381 -19.282 1.00 74.54 H new ATOM 0 HD1 PHE A 103 4.341 9.136 -19.063 1.00 61.15 H new ATOM 0 HD2 PHE A 103 7.156 6.431 -17.359 1.00 44.34 H new ATOM 0 HE1 PHE A 103 2.521 7.570 -18.546 1.00 20.12 H new ATOM 0 HE2 PHE A 103 5.339 4.862 -16.842 1.00 14.33 H new ATOM 0 HZ PHE A 103 3.016 5.431 -17.428 1.00 53.41 H new ATOM 1605 N LEU A 104 10.169 9.160 -17.761 1.00 1.12 N ATOM 1606 CA LEU A 104 11.491 8.544 -17.761 1.00 23.45 C ATOM 1607 C LEU A 104 12.266 8.917 -16.501 1.00 32.45 C ATOM 1608 O LEU A 104 13.306 8.329 -16.200 1.00 52.25 O ATOM 1609 CB LEU A 104 12.276 8.973 -19.001 1.00 42.13 C ATOM 1610 CG LEU A 104 12.820 10.402 -18.990 1.00 3.01 C ATOM 1611 CD1 LEU A 104 14.207 10.440 -18.366 1.00 14.41 C ATOM 1612 CD2 LEU A 104 12.853 10.972 -20.401 1.00 35.33 C ATOM 0 H LEU A 104 10.141 10.098 -18.160 1.00 1.12 H new ATOM 0 HA LEU A 104 11.360 7.462 -17.778 1.00 23.45 H new ATOM 0 HB2 LEU A 104 13.114 8.288 -19.131 1.00 42.13 H new ATOM 0 HB3 LEU A 104 11.631 8.858 -19.872 1.00 42.13 H new ATOM 0 HG LEU A 104 12.154 11.019 -18.386 1.00 3.01 H new ATOM 0 HD11 LEU A 104 14.578 11.465 -18.367 1.00 14.41 H new ATOM 0 HD12 LEU A 104 14.155 10.074 -17.341 1.00 14.41 H new ATOM 0 HD13 LEU A 104 14.883 9.809 -18.943 1.00 14.41 H new ATOM 0 HD21 LEU A 104 13.243 11.990 -20.373 1.00 35.33 H new ATOM 0 HD22 LEU A 104 13.496 10.354 -21.028 1.00 35.33 H new ATOM 0 HD23 LEU A 104 11.844 10.981 -20.813 1.00 35.33 H new ATOM 1624 N THR A 105 11.751 9.896 -15.764 1.00 0.42 N ATOM 1625 CA THR A 105 12.393 10.347 -14.536 1.00 1.34 C ATOM 1626 C THR A 105 11.500 10.100 -13.325 1.00 54.35 C ATOM 1627 O THR A 105 11.856 10.443 -12.198 1.00 44.43 O ATOM 1628 CB THR A 105 12.744 11.846 -14.603 1.00 25.53 C ATOM 1629 OG1 THR A 105 12.996 12.229 -15.959 1.00 52.52 O ATOM 1630 CG2 THR A 105 13.965 12.154 -13.749 1.00 31.14 C ATOM 0 H THR A 105 10.891 10.392 -15.997 1.00 0.42 H new ATOM 0 HA THR A 105 13.312 9.770 -14.430 1.00 1.34 H new ATOM 0 HB THR A 105 11.897 12.413 -14.217 1.00 25.53 H new ATOM 0 HG1 THR A 105 12.230 12.733 -16.304 1.00 52.52 H new ATOM 0 HG21 THR A 105 14.194 13.218 -13.812 1.00 31.14 H new ATOM 0 HG22 THR A 105 13.760 11.887 -12.712 1.00 31.14 H new ATOM 0 HG23 THR A 105 14.817 11.578 -14.110 1.00 31.14 H new ATOM 1638 N ARG A 106 10.337 9.503 -13.566 1.00 62.41 N ATOM 1639 CA ARG A 106 9.392 9.210 -12.495 1.00 43.11 C ATOM 1640 C ARG A 106 8.199 8.419 -13.023 1.00 65.25 C ATOM 1641 O ARG A 106 7.763 8.618 -14.157 1.00 51.31 O ATOM 1642 CB ARG A 106 8.909 10.507 -11.844 1.00 3.41 C ATOM 1643 CG ARG A 106 8.115 10.289 -10.566 1.00 62.34 C ATOM 1644 CD ARG A 106 8.956 9.607 -9.498 1.00 14.11 C ATOM 1645 NE ARG A 106 10.262 10.241 -9.342 1.00 50.10 N ATOM 1646 CZ ARG A 106 11.268 9.695 -8.669 1.00 24.32 C ATOM 1647 NH1 ARG A 106 11.119 8.510 -8.093 1.00 21.04 N ATOM 1648 NH2 ARG A 106 12.427 10.333 -8.571 1.00 43.53 N ATOM 0 H ARG A 106 10.027 9.213 -14.493 1.00 62.41 H new ATOM 0 HA ARG A 106 9.905 8.605 -11.748 1.00 43.11 H new ATOM 0 HB2 ARG A 106 9.772 11.136 -11.623 1.00 3.41 H new ATOM 0 HB3 ARG A 106 8.291 11.053 -12.557 1.00 3.41 H new ATOM 0 HG2 ARG A 106 7.756 11.248 -10.191 1.00 62.34 H new ATOM 0 HG3 ARG A 106 7.236 9.682 -10.781 1.00 62.34 H new ATOM 0 HD2 ARG A 106 8.425 9.633 -8.547 1.00 14.11 H new ATOM 0 HD3 ARG A 106 9.091 8.557 -9.759 1.00 14.11 H new ATOM 0 HE ARG A 106 10.410 11.153 -9.774 1.00 50.10 H new ATOM 0 HH11 ARG A 106 10.230 8.015 -8.166 1.00 21.04 H new ATOM 0 HH12 ARG A 106 11.893 8.093 -7.577 1.00 21.04 H new ATOM 0 HH21 ARG A 106 12.546 11.244 -9.013 1.00 43.53 H new ATOM 0 HH22 ARG A 106 13.199 9.912 -8.054 1.00 43.53 H new TER 1662 ARG A 106