USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 891 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 88 ASN : amide:sc= 2.32 K(o=3.5,f=0.89) USER MOD Set 1.2: A 90 THR OG1 : rot -38:sc= 1.22 USER MOD Set 2.1: A 14 MET CE :methyl 180:sc= -0.298 (180deg=-0.298) USER MOD Set 2.2: A 41 CYS SG : rot 16:sc= 0.22 USER MOD Set 2.3: A 43 ASN : amide:sc= 1.35 K(o=1.3,f=-9!) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 1.22 (180deg=1) USER MOD Single : A 2 CYS SG : rot -30:sc= 0.0229 USER MOD Single : A 5 SER OG : rot 180:sc= 0.134 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -170:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0256) USER MOD Single : A 36 SER OG : rot 41:sc= 0.0316 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 179:sc= 0.749 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 39:sc= 0.213 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 12:sc= 0.933 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0.579 (180deg=0.541) USER MOD Single : A 61 ASN : amide:sc= 0.821 K(o=0.82,f=-3.9!) USER MOD Single : A 62 THR OG1 : rot -43:sc= 0.0607 USER MOD Single : A 63 SER OG : rot 150:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 87:sc= -0.0475 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.21 K(o=1.2,f=-3.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.12) USER MOD Single : A 93 SER OG : rot 180:sc= 0.108 USER MOD Single : A 95 SER OG : rot 76:sc= 1.21 USER MOD Single : A 97 THR OG1 : rot -160:sc= -0.376 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0192 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 110 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0642) USER MOD Single : A 113 GLN : amide:sc= 1.3 K(o=1.3,f=-0.38) USER MOD Single : A 117 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00857) USER MOD Single : A 118 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.129 40.050 -10.736 1.00 40.23 N ATOM 2 CA GLY A 1 -16.405 40.264 -10.048 1.00 24.30 C ATOM 3 C GLY A 1 -16.161 40.117 -8.563 1.00 71.12 C ATOM 4 O GLY A 1 -15.395 40.910 -8.023 1.00 65.43 O ATOM 0 H1 GLY A 1 -15.076 40.669 -11.570 1.00 40.23 H new ATOM 0 H2 GLY A 1 -14.345 40.272 -10.090 1.00 40.23 H new ATOM 0 H3 GLY A 1 -15.059 39.057 -11.037 1.00 40.23 H new ATOM 0 HA2 GLY A 1 -16.799 41.255 -10.274 1.00 24.30 H new ATOM 0 HA3 GLY A 1 -17.147 39.541 -10.386 1.00 24.30 H new ATOM 8 N CYS A 2 -16.776 39.122 -7.923 1.00 44.05 N ATOM 9 CA CYS A 2 -16.487 38.703 -6.557 1.00 34.40 C ATOM 10 C CYS A 2 -16.400 37.172 -6.448 1.00 41.51 C ATOM 11 O CYS A 2 -15.686 36.701 -5.573 1.00 21.11 O ATOM 12 CB CYS A 2 -17.557 39.260 -5.608 1.00 13.42 C ATOM 13 SG CYS A 2 -17.003 39.099 -3.889 1.00 60.35 S ATOM 0 H CYS A 2 -17.514 38.569 -8.359 1.00 44.05 H new ATOM 0 HA CYS A 2 -15.515 39.104 -6.270 1.00 34.40 H new ATOM 0 HB2 CYS A 2 -17.751 40.307 -5.840 1.00 13.42 H new ATOM 0 HB3 CYS A 2 -18.495 38.723 -5.749 1.00 13.42 H new ATOM 0 HG CYS A 2 -16.224 38.064 -3.779 1.00 60.35 H new ATOM 19 N GLU A 3 -17.094 36.422 -7.319 1.00 2.42 N ATOM 20 CA GLU A 3 -16.915 34.992 -7.593 1.00 53.01 C ATOM 21 C GLU A 3 -16.753 34.154 -6.312 1.00 4.40 C ATOM 22 O GLU A 3 -15.848 33.331 -6.194 1.00 53.52 O ATOM 23 CB GLU A 3 -15.817 34.790 -8.662 1.00 44.23 C ATOM 24 CG GLU A 3 -16.240 35.255 -10.073 1.00 63.32 C ATOM 25 CD GLU A 3 -16.342 36.775 -10.226 1.00 20.10 C ATOM 26 OE1 GLU A 3 -17.416 37.353 -9.930 1.00 1.12 O ATOM 27 OE2 GLU A 3 -15.348 37.434 -10.604 1.00 0.11 O ATOM 0 H GLU A 3 -17.841 36.826 -7.884 1.00 2.42 H new ATOM 0 HA GLU A 3 -17.833 34.595 -8.026 1.00 53.01 H new ATOM 0 HB2 GLU A 3 -14.923 35.336 -8.361 1.00 44.23 H new ATOM 0 HB3 GLU A 3 -15.548 33.734 -8.701 1.00 44.23 H new ATOM 0 HG2 GLU A 3 -15.522 34.875 -10.800 1.00 63.32 H new ATOM 0 HG3 GLU A 3 -17.205 34.811 -10.316 1.00 63.32 H new ATOM 34 N LEU A 4 -17.640 34.393 -5.338 1.00 65.41 N ATOM 35 CA LEU A 4 -17.582 33.776 -4.019 1.00 0.14 C ATOM 36 C LEU A 4 -17.801 32.266 -4.153 1.00 33.13 C ATOM 37 O LEU A 4 -18.872 31.840 -4.588 1.00 45.12 O ATOM 38 CB LEU A 4 -18.624 34.434 -3.091 1.00 53.05 C ATOM 39 CG LEU A 4 -18.217 34.550 -1.610 1.00 12.42 C ATOM 40 CD1 LEU A 4 -17.751 33.232 -0.985 1.00 62.34 C ATOM 41 CD2 LEU A 4 -17.149 35.635 -1.412 1.00 14.32 C ATOM 0 H LEU A 4 -18.428 35.031 -5.452 1.00 65.41 H new ATOM 0 HA LEU A 4 -16.600 33.932 -3.572 1.00 0.14 H new ATOM 0 HB2 LEU A 4 -18.841 35.433 -3.469 1.00 53.05 H new ATOM 0 HB3 LEU A 4 -19.550 33.862 -3.151 1.00 53.05 H new ATOM 0 HG LEU A 4 -19.129 34.834 -1.084 1.00 12.42 H new ATOM 0 HD11 LEU A 4 -17.483 33.399 0.058 1.00 62.34 H new ATOM 0 HD12 LEU A 4 -18.556 32.499 -1.040 1.00 62.34 H new ATOM 0 HD13 LEU A 4 -16.883 32.859 -1.528 1.00 62.34 H new ATOM 0 HD21 LEU A 4 -16.882 35.694 -0.357 1.00 14.32 H new ATOM 0 HD22 LEU A 4 -16.264 35.386 -1.997 1.00 14.32 H new ATOM 0 HD23 LEU A 4 -17.542 36.597 -1.741 1.00 14.32 H new ATOM 53 N SER A 5 -16.798 31.472 -3.788 1.00 4.05 N ATOM 54 CA SER A 5 -16.815 30.016 -3.766 1.00 0.43 C ATOM 55 C SER A 5 -15.895 29.575 -2.612 1.00 61.52 C ATOM 56 O SER A 5 -15.538 30.389 -1.756 1.00 33.23 O ATOM 57 CB SER A 5 -16.379 29.506 -5.153 1.00 13.24 C ATOM 58 OG SER A 5 -16.564 28.107 -5.290 1.00 15.10 O ATOM 0 H SER A 5 -15.902 31.851 -3.483 1.00 4.05 H new ATOM 0 HA SER A 5 -17.802 29.593 -3.582 1.00 0.43 H new ATOM 0 HB2 SER A 5 -16.949 30.024 -5.925 1.00 13.24 H new ATOM 0 HB3 SER A 5 -15.329 29.750 -5.315 1.00 13.24 H new ATOM 0 HG SER A 5 -16.277 27.825 -6.184 1.00 15.10 H new ATOM 64 N ASP A 6 -15.510 28.300 -2.572 1.00 34.44 N ATOM 65 CA ASP A 6 -14.646 27.677 -1.568 1.00 34.41 C ATOM 66 C ASP A 6 -13.340 27.200 -2.221 1.00 73.33 C ATOM 67 O ASP A 6 -13.053 26.002 -2.277 1.00 65.53 O ATOM 68 CB ASP A 6 -15.397 26.563 -0.817 1.00 54.23 C ATOM 69 CG ASP A 6 -16.027 25.456 -1.682 1.00 22.12 C ATOM 70 OD1 ASP A 6 -15.863 25.434 -2.926 1.00 51.53 O ATOM 71 OD2 ASP A 6 -16.809 24.652 -1.126 1.00 20.31 O ATOM 0 H ASP A 6 -15.811 27.633 -3.283 1.00 34.44 H new ATOM 0 HA ASP A 6 -14.370 28.414 -0.814 1.00 34.41 H new ATOM 0 HB2 ASP A 6 -14.704 26.096 -0.117 1.00 54.23 H new ATOM 0 HB3 ASP A 6 -16.187 27.024 -0.224 1.00 54.23 H new ATOM 76 N PRO A 7 -12.491 28.131 -2.694 1.00 71.11 N ATOM 77 CA PRO A 7 -11.325 27.819 -3.501 1.00 15.30 C ATOM 78 C PRO A 7 -10.318 26.976 -2.728 1.00 45.21 C ATOM 79 O PRO A 7 -9.716 26.108 -3.340 1.00 1.51 O ATOM 80 CB PRO A 7 -10.735 29.165 -3.933 1.00 73.52 C ATOM 81 CG PRO A 7 -11.180 30.116 -2.826 1.00 13.10 C ATOM 82 CD PRO A 7 -12.549 29.555 -2.445 1.00 43.42 C ATOM 0 HA PRO A 7 -11.595 27.218 -4.369 1.00 15.30 H new ATOM 0 HB2 PRO A 7 -9.649 29.121 -4.013 1.00 73.52 H new ATOM 0 HB3 PRO A 7 -11.114 29.476 -4.907 1.00 73.52 H new ATOM 0 HG2 PRO A 7 -10.489 30.110 -1.983 1.00 13.10 H new ATOM 0 HG3 PRO A 7 -11.246 31.146 -3.177 1.00 13.10 H new ATOM 0 HD2 PRO A 7 -12.774 29.757 -1.398 1.00 43.42 H new ATOM 0 HD3 PRO A 7 -13.338 30.021 -3.036 1.00 43.42 H new ATOM 90 N ASP A 8 -10.183 27.171 -1.413 1.00 31.54 N ATOM 91 CA ASP A 8 -9.272 26.445 -0.518 1.00 52.41 C ATOM 92 C ASP A 8 -9.854 25.084 -0.073 1.00 64.52 C ATOM 93 O ASP A 8 -9.290 24.423 0.802 1.00 13.13 O ATOM 94 CB ASP A 8 -8.996 27.309 0.736 1.00 23.33 C ATOM 95 CG ASP A 8 -8.035 28.482 0.554 1.00 23.54 C ATOM 96 OD1 ASP A 8 -7.267 28.513 -0.434 1.00 22.22 O ATOM 97 OD2 ASP A 8 -8.034 29.356 1.447 1.00 3.20 O ATOM 0 H ASP A 8 -10.732 27.873 -0.918 1.00 31.54 H new ATOM 0 HA ASP A 8 -8.351 26.252 -1.068 1.00 52.41 H new ATOM 0 HB2 ASP A 8 -9.947 27.699 1.098 1.00 23.33 H new ATOM 0 HB3 ASP A 8 -8.600 26.661 1.517 1.00 23.33 H new ATOM 102 N GLY A 9 -11.011 24.668 -0.596 1.00 73.24 N ATOM 103 CA GLY A 9 -11.812 23.555 -0.086 1.00 40.13 C ATOM 104 C GLY A 9 -11.541 22.219 -0.779 1.00 51.24 C ATOM 105 O GLY A 9 -12.429 21.360 -0.788 1.00 34.11 O ATOM 0 H GLY A 9 -11.428 25.113 -1.414 1.00 73.24 H new ATOM 0 HA2 GLY A 9 -11.621 23.443 0.981 1.00 40.13 H new ATOM 0 HA3 GLY A 9 -12.868 23.801 -0.197 1.00 40.13 H new ATOM 109 N LEU A 10 -10.387 22.047 -1.425 1.00 40.11 N ATOM 110 CA LEU A 10 -10.026 20.865 -2.179 1.00 42.32 C ATOM 111 C LEU A 10 -9.279 19.869 -1.287 1.00 1.30 C ATOM 112 O LEU A 10 -8.925 20.176 -0.143 1.00 52.04 O ATOM 113 CB LEU A 10 -9.232 21.207 -3.449 1.00 54.31 C ATOM 114 CG LEU A 10 -8.015 22.111 -3.251 1.00 42.32 C ATOM 115 CD1 LEU A 10 -6.927 21.825 -4.286 1.00 33.14 C ATOM 116 CD2 LEU A 10 -8.474 23.557 -3.406 1.00 71.13 C ATOM 0 H LEU A 10 -9.657 22.759 -1.432 1.00 40.11 H new ATOM 0 HA LEU A 10 -10.948 20.391 -2.516 1.00 42.32 H new ATOM 0 HB2 LEU A 10 -8.898 20.276 -3.908 1.00 54.31 H new ATOM 0 HB3 LEU A 10 -9.906 21.688 -4.158 1.00 54.31 H new ATOM 0 HG LEU A 10 -7.596 21.926 -2.262 1.00 42.32 H new ATOM 0 HD11 LEU A 10 -6.078 22.487 -4.114 1.00 33.14 H new ATOM 0 HD12 LEU A 10 -6.603 20.788 -4.196 1.00 33.14 H new ATOM 0 HD13 LEU A 10 -7.323 21.996 -5.287 1.00 33.14 H new ATOM 0 HD21 LEU A 10 -7.624 24.225 -3.269 1.00 71.13 H new ATOM 0 HD22 LEU A 10 -8.892 23.701 -4.402 1.00 71.13 H new ATOM 0 HD23 LEU A 10 -9.234 23.780 -2.657 1.00 71.13 H new ATOM 128 N ALA A 11 -8.998 18.686 -1.832 1.00 12.51 N ATOM 129 CA ALA A 11 -8.252 17.631 -1.173 1.00 43.32 C ATOM 130 C ALA A 11 -7.019 17.298 -2.006 1.00 63.12 C ATOM 131 O ALA A 11 -7.112 16.601 -3.025 1.00 23.34 O ATOM 132 CB ALA A 11 -9.164 16.426 -0.965 1.00 54.33 C ATOM 0 H ALA A 11 -9.296 18.434 -2.774 1.00 12.51 H new ATOM 0 HA ALA A 11 -7.907 17.951 -0.190 1.00 43.32 H new ATOM 0 HB1 ALA A 11 -8.608 15.630 -0.470 1.00 54.33 H new ATOM 0 HB2 ALA A 11 -10.013 16.715 -0.346 1.00 54.33 H new ATOM 0 HB3 ALA A 11 -9.524 16.071 -1.931 1.00 54.33 H new ATOM 138 N ASP A 12 -5.867 17.826 -1.594 1.00 63.21 N ATOM 139 CA ASP A 12 -4.577 17.378 -2.110 1.00 15.23 C ATOM 140 C ASP A 12 -4.322 15.924 -1.686 1.00 15.04 C ATOM 141 O ASP A 12 -4.785 15.499 -0.619 1.00 3.44 O ATOM 142 CB ASP A 12 -3.422 18.259 -1.600 1.00 13.24 C ATOM 143 CG ASP A 12 -2.658 19.044 -2.674 1.00 54.43 C ATOM 144 OD1 ASP A 12 -2.777 18.818 -3.903 1.00 12.33 O ATOM 145 OD2 ASP A 12 -1.832 19.898 -2.273 1.00 42.51 O ATOM 0 H ASP A 12 -5.803 18.570 -0.899 1.00 63.21 H new ATOM 0 HA ASP A 12 -4.614 17.454 -3.197 1.00 15.23 H new ATOM 0 HB2 ASP A 12 -3.823 18.967 -0.875 1.00 13.24 H new ATOM 0 HB3 ASP A 12 -2.714 17.624 -1.067 1.00 13.24 H new ATOM 150 N PRO A 13 -3.542 15.167 -2.472 1.00 1.13 N ATOM 151 CA PRO A 13 -3.183 13.791 -2.176 1.00 43.55 C ATOM 152 C PRO A 13 -2.118 13.711 -1.074 1.00 52.51 C ATOM 153 O PRO A 13 -1.627 14.716 -0.537 1.00 5.31 O ATOM 154 CB PRO A 13 -2.657 13.242 -3.506 1.00 41.55 C ATOM 155 CG PRO A 13 -1.976 14.458 -4.110 1.00 41.41 C ATOM 156 CD PRO A 13 -2.910 15.587 -3.708 1.00 61.14 C ATOM 0 HA PRO A 13 -4.028 13.217 -1.797 1.00 43.55 H new ATOM 0 HB2 PRO A 13 -1.960 12.417 -3.358 1.00 41.55 H new ATOM 0 HB3 PRO A 13 -3.462 12.870 -4.140 1.00 41.55 H new ATOM 0 HG2 PRO A 13 -0.971 14.601 -3.712 1.00 41.41 H new ATOM 0 HG3 PRO A 13 -1.881 14.375 -5.193 1.00 41.41 H new ATOM 0 HD2 PRO A 13 -2.359 16.517 -3.567 1.00 61.14 H new ATOM 0 HD3 PRO A 13 -3.654 15.772 -4.483 1.00 61.14 H new ATOM 164 N MET A 14 -1.758 12.479 -0.727 1.00 31.53 N ATOM 165 CA MET A 14 -0.739 12.192 0.265 1.00 11.24 C ATOM 166 C MET A 14 0.645 12.434 -0.359 1.00 53.15 C ATOM 167 O MET A 14 0.844 12.298 -1.569 1.00 42.45 O ATOM 168 CB MET A 14 -0.917 10.766 0.829 1.00 1.43 C ATOM 169 CG MET A 14 -2.380 10.357 1.000 1.00 45.11 C ATOM 170 SD MET A 14 -2.694 8.742 1.784 1.00 21.51 S ATOM 171 CE MET A 14 -1.834 8.896 3.371 1.00 34.44 C ATOM 0 H MET A 14 -2.175 11.643 -1.136 1.00 31.53 H new ATOM 0 HA MET A 14 -0.836 12.862 1.119 1.00 11.24 H new ATOM 0 HB2 MET A 14 -0.425 10.057 0.164 1.00 1.43 H new ATOM 0 HB3 MET A 14 -0.414 10.700 1.794 1.00 1.43 H new ATOM 0 HG2 MET A 14 -2.881 11.124 1.590 1.00 45.11 H new ATOM 0 HG3 MET A 14 -2.849 10.354 0.016 1.00 45.11 H new ATOM 0 HE1 MET A 14 -1.953 7.974 3.940 1.00 34.44 H new ATOM 0 HE2 MET A 14 -0.774 9.080 3.194 1.00 34.44 H new ATOM 0 HE3 MET A 14 -2.257 9.727 3.935 1.00 34.44 H new ATOM 181 N LYS A 15 1.620 12.804 0.469 1.00 0.22 N ATOM 182 CA LYS A 15 3.028 12.941 0.105 1.00 4.03 C ATOM 183 C LYS A 15 3.862 12.156 1.100 1.00 31.10 C ATOM 184 O LYS A 15 3.573 12.168 2.299 1.00 1.00 O ATOM 185 CB LYS A 15 3.437 14.419 0.085 1.00 53.41 C ATOM 186 CG LYS A 15 2.854 15.126 -1.144 1.00 3.41 C ATOM 187 CD LYS A 15 3.381 16.554 -1.330 1.00 21.31 C ATOM 188 CE LYS A 15 2.970 17.457 -0.160 1.00 32.21 C ATOM 189 NZ LYS A 15 2.841 18.872 -0.555 1.00 12.54 N ATOM 0 H LYS A 15 1.444 13.025 1.449 1.00 0.22 H new ATOM 0 HA LYS A 15 3.194 12.545 -0.897 1.00 4.03 H new ATOM 0 HB2 LYS A 15 3.088 14.910 0.993 1.00 53.41 H new ATOM 0 HB3 LYS A 15 4.524 14.501 0.076 1.00 53.41 H new ATOM 0 HG2 LYS A 15 3.086 14.542 -2.035 1.00 3.41 H new ATOM 0 HG3 LYS A 15 1.768 15.156 -1.056 1.00 3.41 H new ATOM 0 HD2 LYS A 15 4.468 16.535 -1.413 1.00 21.31 H new ATOM 0 HD3 LYS A 15 2.997 16.967 -2.263 1.00 21.31 H new ATOM 0 HE2 LYS A 15 2.021 17.109 0.247 1.00 32.21 H new ATOM 0 HE3 LYS A 15 3.709 17.372 0.637 1.00 32.21 H new ATOM 0 HZ1 LYS A 15 2.562 19.439 0.271 1.00 12.54 H new ATOM 0 HZ2 LYS A 15 3.753 19.215 -0.919 1.00 12.54 H new ATOM 0 HZ3 LYS A 15 2.117 18.961 -1.296 1.00 12.54 H new ATOM 203 N TRP A 16 4.912 11.500 0.624 1.00 2.44 N ATOM 204 CA TRP A 16 5.618 10.446 1.329 1.00 52.25 C ATOM 205 C TRP A 16 7.117 10.714 1.232 1.00 23.33 C ATOM 206 O TRP A 16 7.750 10.388 0.231 1.00 15.11 O ATOM 207 CB TRP A 16 5.233 9.087 0.730 1.00 24.42 C ATOM 208 CG TRP A 16 3.774 8.755 0.681 1.00 72.24 C ATOM 209 CD1 TRP A 16 2.949 9.059 -0.345 1.00 4.11 C ATOM 210 CD2 TRP A 16 2.971 7.969 1.614 1.00 2.10 C ATOM 211 NE1 TRP A 16 1.720 8.476 -0.133 1.00 1.23 N ATOM 212 CE2 TRP A 16 1.663 7.810 1.072 1.00 72.12 C ATOM 213 CE3 TRP A 16 3.232 7.335 2.844 1.00 60.32 C ATOM 214 CZ2 TRP A 16 0.666 7.064 1.722 1.00 41.31 C ATOM 215 CZ3 TRP A 16 2.242 6.587 3.511 1.00 24.42 C ATOM 216 CH2 TRP A 16 0.957 6.457 2.956 1.00 71.11 C ATOM 0 H TRP A 16 5.307 11.696 -0.296 1.00 2.44 H new ATOM 0 HA TRP A 16 5.343 10.428 2.384 1.00 52.25 H new ATOM 0 HB2 TRP A 16 5.625 9.041 -0.286 1.00 24.42 H new ATOM 0 HB3 TRP A 16 5.738 8.309 1.302 1.00 24.42 H new ATOM 0 HD1 TRP A 16 3.213 9.665 -1.199 1.00 4.11 H new ATOM 0 HE1 TRP A 16 0.943 8.531 -0.791 1.00 1.23 H new ATOM 0 HE3 TRP A 16 4.213 7.424 3.286 1.00 60.32 H new ATOM 0 HZ2 TRP A 16 -0.313 6.958 1.279 1.00 41.31 H new ATOM 0 HZ3 TRP A 16 2.471 6.111 4.453 1.00 24.42 H new ATOM 0 HH2 TRP A 16 0.196 5.893 3.476 1.00 71.11 H new ATOM 227 N SER A 17 7.697 11.331 2.263 1.00 43.04 N ATOM 228 CA SER A 17 9.141 11.585 2.313 1.00 0.10 C ATOM 229 C SER A 17 9.989 10.328 2.572 1.00 72.42 C ATOM 230 O SER A 17 11.216 10.401 2.480 1.00 64.23 O ATOM 231 CB SER A 17 9.444 12.627 3.384 1.00 51.34 C ATOM 232 OG SER A 17 9.113 13.938 2.964 1.00 22.40 O ATOM 0 H SER A 17 7.187 11.666 3.080 1.00 43.04 H new ATOM 0 HA SER A 17 9.418 11.948 1.323 1.00 0.10 H new ATOM 0 HB2 SER A 17 8.888 12.386 4.290 1.00 51.34 H new ATOM 0 HB3 SER A 17 10.503 12.586 3.639 1.00 51.34 H new ATOM 0 HG SER A 17 9.465 14.587 3.609 1.00 22.40 H new ATOM 238 N LYS A 18 9.386 9.171 2.875 1.00 51.53 N ATOM 239 CA LYS A 18 10.016 7.881 2.594 1.00 21.14 C ATOM 240 C LYS A 18 9.081 7.157 1.657 1.00 2.12 C ATOM 241 O LYS A 18 7.881 7.143 1.921 1.00 63.43 O ATOM 242 CB LYS A 18 10.264 6.995 3.833 1.00 12.54 C ATOM 243 CG LYS A 18 11.675 7.131 4.403 1.00 40.01 C ATOM 244 CD LYS A 18 11.977 8.487 5.058 1.00 52.01 C ATOM 245 CE LYS A 18 13.296 9.022 4.501 1.00 35.34 C ATOM 246 NZ LYS A 18 14.443 8.205 4.953 1.00 74.11 N ATOM 0 H LYS A 18 8.467 9.105 3.313 1.00 51.53 H new ATOM 0 HA LYS A 18 11.005 8.072 2.178 1.00 21.14 H new ATOM 0 HB2 LYS A 18 9.541 7.254 4.606 1.00 12.54 H new ATOM 0 HB3 LYS A 18 10.086 5.953 3.567 1.00 12.54 H new ATOM 0 HG2 LYS A 18 11.831 6.344 5.141 1.00 40.01 H new ATOM 0 HG3 LYS A 18 12.394 6.963 3.601 1.00 40.01 H new ATOM 0 HD2 LYS A 18 11.170 9.191 4.857 1.00 52.01 H new ATOM 0 HD3 LYS A 18 12.042 8.377 6.140 1.00 52.01 H new ATOM 0 HE2 LYS A 18 13.258 9.027 3.412 1.00 35.34 H new ATOM 0 HE3 LYS A 18 13.435 10.055 4.820 1.00 35.34 H new ATOM 0 HZ1 LYS A 18 15.329 8.642 4.629 1.00 74.11 H new ATOM 0 HZ2 LYS A 18 14.443 8.151 5.992 1.00 74.11 H new ATOM 0 HZ3 LYS A 18 14.364 7.247 4.557 1.00 74.11 H new ATOM 260 N VAL A 19 9.652 6.511 0.653 1.00 22.52 N ATOM 261 CA VAL A 19 9.064 5.445 -0.138 1.00 72.21 C ATOM 262 C VAL A 19 10.210 4.464 -0.418 1.00 52.41 C ATOM 263 O VAL A 19 11.386 4.856 -0.336 1.00 60.23 O ATOM 264 CB VAL A 19 8.440 5.996 -1.443 1.00 14.20 C ATOM 265 CG1 VAL A 19 7.188 6.831 -1.162 1.00 41.04 C ATOM 266 CG2 VAL A 19 9.408 6.875 -2.251 1.00 32.40 C ATOM 0 H VAL A 19 10.600 6.733 0.350 1.00 22.52 H new ATOM 0 HA VAL A 19 8.246 4.952 0.387 1.00 72.21 H new ATOM 0 HB VAL A 19 8.190 5.110 -2.026 1.00 14.20 H new ATOM 0 HG11 VAL A 19 6.778 7.200 -2.102 1.00 41.04 H new ATOM 0 HG12 VAL A 19 6.444 6.213 -0.660 1.00 41.04 H new ATOM 0 HG13 VAL A 19 7.449 7.675 -0.524 1.00 41.04 H new ATOM 0 HG21 VAL A 19 8.910 7.230 -3.154 1.00 32.40 H new ATOM 0 HG22 VAL A 19 9.715 7.729 -1.647 1.00 32.40 H new ATOM 0 HG23 VAL A 19 10.286 6.291 -2.527 1.00 32.40 H new ATOM 276 N PRO A 20 9.908 3.210 -0.770 1.00 74.25 N ATOM 277 CA PRO A 20 10.862 2.308 -1.396 1.00 12.44 C ATOM 278 C PRO A 20 11.255 2.839 -2.787 1.00 12.35 C ATOM 279 O PRO A 20 10.702 3.825 -3.283 1.00 2.30 O ATOM 280 CB PRO A 20 10.150 0.949 -1.392 1.00 72.22 C ATOM 281 CG PRO A 20 8.674 1.316 -1.456 1.00 55.32 C ATOM 282 CD PRO A 20 8.600 2.593 -0.647 1.00 60.44 C ATOM 0 HA PRO A 20 11.816 2.221 -0.877 1.00 12.44 H new ATOM 0 HB2 PRO A 20 10.448 0.338 -2.244 1.00 72.22 H new ATOM 0 HB3 PRO A 20 10.382 0.378 -0.493 1.00 72.22 H new ATOM 0 HG2 PRO A 20 8.341 1.470 -2.483 1.00 55.32 H new ATOM 0 HG3 PRO A 20 8.046 0.533 -1.031 1.00 55.32 H new ATOM 0 HD2 PRO A 20 7.819 3.252 -1.026 1.00 60.44 H new ATOM 0 HD3 PRO A 20 8.362 2.383 0.396 1.00 60.44 H new ATOM 290 N SER A 21 12.239 2.211 -3.424 1.00 43.23 N ATOM 291 CA SER A 21 12.738 2.580 -4.748 1.00 72.41 C ATOM 292 C SER A 21 12.236 1.635 -5.844 1.00 1.22 C ATOM 293 O SER A 21 12.387 1.935 -7.027 1.00 51.03 O ATOM 294 CB SER A 21 14.259 2.631 -4.713 1.00 31.15 C ATOM 295 OG SER A 21 14.696 3.554 -3.726 1.00 0.32 O ATOM 0 H SER A 21 12.726 1.409 -3.024 1.00 43.23 H new ATOM 0 HA SER A 21 12.348 3.566 -4.999 1.00 72.41 H new ATOM 0 HB2 SER A 21 14.659 1.640 -4.497 1.00 31.15 H new ATOM 0 HB3 SER A 21 14.643 2.923 -5.690 1.00 31.15 H new ATOM 0 HG SER A 21 15.676 3.577 -3.711 1.00 0.32 H new ATOM 301 N GLY A 22 11.580 0.535 -5.470 1.00 44.34 N ATOM 302 CA GLY A 22 10.737 -0.222 -6.387 1.00 0.22 C ATOM 303 C GLY A 22 9.590 0.630 -6.941 1.00 2.11 C ATOM 304 O GLY A 22 9.178 0.408 -8.076 1.00 11.20 O ATOM 0 H GLY A 22 11.620 0.148 -4.527 1.00 44.34 H new ATOM 0 HA2 GLY A 22 11.343 -0.597 -7.212 1.00 0.22 H new ATOM 0 HA3 GLY A 22 10.328 -1.091 -5.871 1.00 0.22 H new ATOM 308 N LEU A 23 9.100 1.598 -6.152 1.00 4.00 N ATOM 309 CA LEU A 23 8.040 2.549 -6.491 1.00 31.40 C ATOM 310 C LEU A 23 8.352 3.312 -7.778 1.00 44.24 C ATOM 311 O LEU A 23 9.158 4.253 -7.788 1.00 71.34 O ATOM 312 CB LEU A 23 7.787 3.502 -5.310 1.00 14.11 C ATOM 313 CG LEU A 23 6.585 4.442 -5.577 1.00 65.42 C ATOM 314 CD1 LEU A 23 5.455 4.203 -4.577 1.00 45.02 C ATOM 315 CD2 LEU A 23 7.006 5.912 -5.500 1.00 43.01 C ATOM 0 H LEU A 23 9.456 1.743 -5.207 1.00 4.00 H new ATOM 0 HA LEU A 23 7.125 1.987 -6.679 1.00 31.40 H new ATOM 0 HB2 LEU A 23 7.600 2.920 -4.407 1.00 14.11 H new ATOM 0 HB3 LEU A 23 8.681 4.098 -5.126 1.00 14.11 H new ATOM 0 HG LEU A 23 6.228 4.216 -6.582 1.00 65.42 H new ATOM 0 HD11 LEU A 23 4.628 4.879 -4.794 1.00 45.02 H new ATOM 0 HD12 LEU A 23 5.111 3.172 -4.657 1.00 45.02 H new ATOM 0 HD13 LEU A 23 5.819 4.387 -3.566 1.00 45.02 H new ATOM 0 HD21 LEU A 23 6.142 6.548 -5.692 1.00 43.01 H new ATOM 0 HD22 LEU A 23 7.401 6.126 -4.507 1.00 43.01 H new ATOM 0 HD23 LEU A 23 7.775 6.110 -6.247 1.00 43.01 H new ATOM 327 N LYS A 24 7.684 2.925 -8.863 1.00 5.32 N ATOM 328 CA LYS A 24 7.817 3.525 -10.181 1.00 25.13 C ATOM 329 C LYS A 24 6.420 3.616 -10.775 1.00 2.31 C ATOM 330 O LYS A 24 5.782 2.598 -11.023 1.00 33.43 O ATOM 331 CB LYS A 24 8.815 2.702 -11.010 1.00 44.04 C ATOM 332 CG LYS A 24 9.197 3.389 -12.332 1.00 23.25 C ATOM 333 CD LYS A 24 10.650 3.073 -12.730 1.00 45.02 C ATOM 334 CE LYS A 24 10.905 3.629 -14.136 1.00 4.12 C ATOM 335 NZ LYS A 24 12.297 3.465 -14.600 1.00 31.30 N ATOM 0 H LYS A 24 7.012 2.157 -8.844 1.00 5.32 H new ATOM 0 HA LYS A 24 8.227 4.535 -10.154 1.00 25.13 H new ATOM 0 HB2 LYS A 24 9.716 2.530 -10.421 1.00 44.04 H new ATOM 0 HB3 LYS A 24 8.384 1.724 -11.225 1.00 44.04 H new ATOM 0 HG2 LYS A 24 8.522 3.061 -13.123 1.00 23.25 H new ATOM 0 HG3 LYS A 24 9.072 4.467 -12.233 1.00 23.25 H new ATOM 0 HD2 LYS A 24 11.343 3.518 -12.016 1.00 45.02 H new ATOM 0 HD3 LYS A 24 10.821 1.997 -12.712 1.00 45.02 H new ATOM 0 HE2 LYS A 24 10.237 3.132 -14.839 1.00 4.12 H new ATOM 0 HE3 LYS A 24 10.650 4.689 -14.149 1.00 4.12 H new ATOM 0 HZ1 LYS A 24 12.394 3.863 -15.556 1.00 31.30 H new ATOM 0 HZ2 LYS A 24 12.940 3.962 -13.951 1.00 31.30 H new ATOM 0 HZ3 LYS A 24 12.539 2.454 -14.620 1.00 31.30 H new ATOM 349 N ASN A 25 5.918 4.846 -10.908 1.00 25.25 N ATOM 350 CA ASN A 25 4.544 5.186 -11.281 1.00 40.14 C ATOM 351 C ASN A 25 3.500 4.341 -10.534 1.00 0.04 C ATOM 352 O ASN A 25 2.653 3.667 -11.131 1.00 43.22 O ATOM 353 CB ASN A 25 4.365 5.183 -12.808 1.00 24.32 C ATOM 354 CG ASN A 25 3.283 6.184 -13.171 1.00 74.13 C ATOM 355 OD1 ASN A 25 2.114 5.849 -13.344 1.00 35.25 O ATOM 356 ND2 ASN A 25 3.650 7.449 -13.252 1.00 52.52 N ATOM 0 H ASN A 25 6.490 5.675 -10.750 1.00 25.25 H new ATOM 0 HA ASN A 25 4.358 6.208 -10.952 1.00 40.14 H new ATOM 0 HB2 ASN A 25 5.302 5.444 -13.299 1.00 24.32 H new ATOM 0 HB3 ASN A 25 4.090 4.187 -13.155 1.00 24.32 H new ATOM 0 HD21 ASN A 25 2.958 8.168 -13.461 1.00 52.52 H new ATOM 0 HD22 ASN A 25 4.626 7.707 -13.105 1.00 52.52 H new ATOM 363 N GLY A 26 3.607 4.346 -9.202 1.00 32.30 N ATOM 364 CA GLY A 26 2.715 3.640 -8.287 1.00 64.31 C ATOM 365 C GLY A 26 2.834 2.113 -8.319 1.00 22.13 C ATOM 366 O GLY A 26 2.184 1.450 -7.509 1.00 33.50 O ATOM 0 H GLY A 26 4.343 4.860 -8.718 1.00 32.30 H new ATOM 0 HA2 GLY A 26 2.913 3.984 -7.272 1.00 64.31 H new ATOM 0 HA3 GLY A 26 1.687 3.915 -8.521 1.00 64.31 H new ATOM 370 N GLU A 27 3.642 1.540 -9.218 1.00 62.51 N ATOM 371 CA GLU A 27 3.867 0.106 -9.275 1.00 20.14 C ATOM 372 C GLU A 27 5.138 -0.233 -8.490 1.00 32.11 C ATOM 373 O GLU A 27 6.067 0.576 -8.424 1.00 74.23 O ATOM 374 CB GLU A 27 3.958 -0.363 -10.736 1.00 65.23 C ATOM 375 CG GLU A 27 3.500 -1.824 -10.820 1.00 12.00 C ATOM 376 CD GLU A 27 3.720 -2.453 -12.191 1.00 1.32 C ATOM 377 OE1 GLU A 27 4.883 -2.763 -12.538 1.00 5.21 O ATOM 378 OE2 GLU A 27 2.724 -2.707 -12.907 1.00 53.14 O ATOM 0 H GLU A 27 4.156 2.066 -9.925 1.00 62.51 H new ATOM 0 HA GLU A 27 3.028 -0.420 -8.819 1.00 20.14 H new ATOM 0 HB2 GLU A 27 3.334 0.264 -11.373 1.00 65.23 H new ATOM 0 HB3 GLU A 27 4.981 -0.268 -11.099 1.00 65.23 H new ATOM 0 HG2 GLU A 27 4.035 -2.408 -10.071 1.00 12.00 H new ATOM 0 HG3 GLU A 27 2.441 -1.879 -10.570 1.00 12.00 H new ATOM 385 N LEU A 28 5.196 -1.427 -7.897 1.00 20.44 N ATOM 386 CA LEU A 28 6.301 -1.900 -7.071 1.00 61.32 C ATOM 387 C LEU A 28 6.594 -3.358 -7.415 1.00 33.35 C ATOM 388 O LEU A 28 5.805 -4.256 -7.101 1.00 0.40 O ATOM 389 CB LEU A 28 5.974 -1.754 -5.572 1.00 54.01 C ATOM 390 CG LEU A 28 6.029 -0.293 -5.090 1.00 45.15 C ATOM 391 CD1 LEU A 28 4.755 0.518 -5.379 1.00 45.34 C ATOM 392 CD2 LEU A 28 6.336 -0.218 -3.599 1.00 20.51 C ATOM 0 H LEU A 28 4.446 -2.113 -7.984 1.00 20.44 H new ATOM 0 HA LEU A 28 7.182 -1.292 -7.276 1.00 61.32 H new ATOM 0 HB2 LEU A 28 4.980 -2.158 -5.380 1.00 54.01 H new ATOM 0 HB3 LEU A 28 6.678 -2.350 -4.991 1.00 54.01 H new ATOM 0 HG LEU A 28 6.834 0.159 -5.669 1.00 45.15 H new ATOM 0 HD11 LEU A 28 4.879 1.535 -5.007 1.00 45.34 H new ATOM 0 HD12 LEU A 28 4.576 0.544 -6.454 1.00 45.34 H new ATOM 0 HD13 LEU A 28 3.905 0.051 -4.881 1.00 45.34 H new ATOM 0 HD21 LEU A 28 6.369 0.826 -3.286 1.00 20.51 H new ATOM 0 HD22 LEU A 28 5.559 -0.740 -3.041 1.00 20.51 H new ATOM 0 HD23 LEU A 28 7.300 -0.686 -3.402 1.00 20.51 H new ATOM 404 N LYS A 29 7.732 -3.611 -8.065 1.00 71.43 N ATOM 405 CA LYS A 29 8.206 -4.968 -8.289 1.00 61.12 C ATOM 406 C LYS A 29 8.667 -5.573 -6.964 1.00 43.02 C ATOM 407 O LYS A 29 9.363 -4.911 -6.183 1.00 1.21 O ATOM 408 CB LYS A 29 9.347 -4.979 -9.331 1.00 61.31 C ATOM 409 CG LYS A 29 8.973 -5.645 -10.662 1.00 73.34 C ATOM 410 CD LYS A 29 8.575 -7.118 -10.468 1.00 15.13 C ATOM 411 CE LYS A 29 8.514 -7.923 -11.772 1.00 34.21 C ATOM 412 NZ LYS A 29 7.697 -7.279 -12.827 1.00 3.21 N ATOM 0 H LYS A 29 8.341 -2.886 -8.445 1.00 71.43 H new ATOM 0 HA LYS A 29 7.390 -5.573 -8.685 1.00 61.12 H new ATOM 0 HB2 LYS A 29 9.657 -3.952 -9.525 1.00 61.31 H new ATOM 0 HB3 LYS A 29 10.207 -5.497 -8.907 1.00 61.31 H new ATOM 0 HG2 LYS A 29 8.147 -5.102 -11.121 1.00 73.34 H new ATOM 0 HG3 LYS A 29 9.816 -5.583 -11.350 1.00 73.34 H new ATOM 0 HD2 LYS A 29 9.289 -7.591 -9.794 1.00 15.13 H new ATOM 0 HD3 LYS A 29 7.601 -7.160 -9.981 1.00 15.13 H new ATOM 0 HE2 LYS A 29 9.527 -8.069 -12.147 1.00 34.21 H new ATOM 0 HE3 LYS A 29 8.106 -8.912 -11.561 1.00 34.21 H new ATOM 0 HZ1 LYS A 29 7.642 -7.906 -13.655 1.00 3.21 H new ATOM 0 HZ2 LYS A 29 6.739 -7.101 -12.464 1.00 3.21 H new ATOM 0 HZ3 LYS A 29 8.135 -6.377 -13.104 1.00 3.21 H new ATOM 426 N VAL A 30 8.351 -6.846 -6.764 1.00 15.24 N ATOM 427 CA VAL A 30 8.755 -7.681 -5.646 1.00 32.34 C ATOM 428 C VAL A 30 9.269 -8.966 -6.274 1.00 63.31 C ATOM 429 O VAL A 30 8.716 -9.443 -7.269 1.00 33.34 O ATOM 430 CB VAL A 30 7.525 -7.904 -4.735 1.00 61.42 C ATOM 431 CG1 VAL A 30 7.818 -8.785 -3.520 1.00 23.40 C ATOM 432 CG2 VAL A 30 6.938 -6.590 -4.208 1.00 20.30 C ATOM 0 H VAL A 30 7.765 -7.355 -7.426 1.00 15.24 H new ATOM 0 HA VAL A 30 9.531 -7.243 -5.019 1.00 32.34 H new ATOM 0 HB VAL A 30 6.810 -8.408 -5.386 1.00 61.42 H new ATOM 0 HG11 VAL A 30 6.911 -8.899 -2.926 1.00 23.40 H new ATOM 0 HG12 VAL A 30 8.158 -9.765 -3.855 1.00 23.40 H new ATOM 0 HG13 VAL A 30 8.594 -8.320 -2.912 1.00 23.40 H new ATOM 0 HG21 VAL A 30 6.077 -6.804 -3.574 1.00 20.30 H new ATOM 0 HG22 VAL A 30 7.694 -6.061 -3.627 1.00 20.30 H new ATOM 0 HG23 VAL A 30 6.625 -5.969 -5.047 1.00 20.30 H new ATOM 442 N GLU A 31 10.341 -9.525 -5.725 1.00 4.23 N ATOM 443 CA GLU A 31 10.825 -10.816 -6.183 1.00 1.05 C ATOM 444 C GLU A 31 10.226 -11.916 -5.308 1.00 14.21 C ATOM 445 O GLU A 31 9.601 -11.644 -4.280 1.00 1.22 O ATOM 446 CB GLU A 31 12.354 -10.838 -6.215 1.00 14.42 C ATOM 447 CG GLU A 31 12.996 -10.768 -4.826 1.00 2.32 C ATOM 448 CD GLU A 31 14.513 -10.682 -4.963 1.00 40.45 C ATOM 449 OE1 GLU A 31 15.106 -11.631 -5.530 1.00 1.41 O ATOM 450 OE2 GLU A 31 15.098 -9.613 -4.686 1.00 2.45 O ATOM 0 H GLU A 31 10.885 -9.108 -4.970 1.00 4.23 H new ATOM 0 HA GLU A 31 10.501 -10.998 -7.208 1.00 1.05 H new ATOM 0 HB2 GLU A 31 12.686 -11.748 -6.714 1.00 14.42 H new ATOM 0 HB3 GLU A 31 12.709 -9.999 -6.813 1.00 14.42 H new ATOM 0 HG2 GLU A 31 12.621 -9.900 -4.285 1.00 2.32 H new ATOM 0 HG3 GLU A 31 12.723 -11.648 -4.244 1.00 2.32 H new ATOM 457 N ALA A 32 10.431 -13.176 -5.681 1.00 1.00 N ATOM 458 CA ALA A 32 9.798 -14.313 -5.029 1.00 12.22 C ATOM 459 C ALA A 32 10.268 -14.544 -3.590 1.00 14.30 C ATOM 460 O ALA A 32 9.854 -15.522 -2.988 1.00 14.43 O ATOM 461 CB ALA A 32 10.059 -15.555 -5.869 1.00 52.21 C ATOM 0 H ALA A 32 11.047 -13.436 -6.451 1.00 1.00 H new ATOM 0 HA ALA A 32 8.732 -14.096 -4.959 1.00 12.22 H new ATOM 0 HB1 ALA A 32 9.592 -16.419 -5.396 1.00 52.21 H new ATOM 0 HB2 ALA A 32 9.639 -15.415 -6.865 1.00 52.21 H new ATOM 0 HB3 ALA A 32 11.133 -15.722 -5.948 1.00 52.21 H new ATOM 467 N GLU A 33 11.135 -13.700 -3.044 1.00 20.34 N ATOM 468 CA GLU A 33 11.619 -13.728 -1.667 1.00 64.31 C ATOM 469 C GLU A 33 10.745 -12.834 -0.786 1.00 22.42 C ATOM 470 O GLU A 33 10.511 -13.133 0.385 1.00 20.34 O ATOM 471 CB GLU A 33 13.024 -13.133 -1.658 1.00 2.53 C ATOM 472 CG GLU A 33 14.021 -13.841 -2.567 1.00 32.51 C ATOM 473 CD GLU A 33 14.409 -15.214 -2.034 1.00 35.35 C ATOM 474 OE1 GLU A 33 15.303 -15.307 -1.171 1.00 15.14 O ATOM 475 OE2 GLU A 33 13.850 -16.236 -2.516 1.00 0.33 O ATOM 0 H GLU A 33 11.543 -12.934 -3.580 1.00 20.34 H new ATOM 0 HA GLU A 33 11.601 -14.752 -1.295 1.00 64.31 H new ATOM 0 HB2 GLU A 33 12.962 -12.086 -1.955 1.00 2.53 H new ATOM 0 HB3 GLU A 33 13.406 -13.153 -0.637 1.00 2.53 H new ATOM 0 HG2 GLU A 33 13.590 -13.948 -3.563 1.00 32.51 H new ATOM 0 HG3 GLU A 33 14.916 -13.227 -2.671 1.00 32.51 H new ATOM 482 N GLY A 34 10.279 -11.726 -1.365 1.00 14.11 N ATOM 483 CA GLY A 34 9.573 -10.663 -0.678 1.00 21.23 C ATOM 484 C GLY A 34 10.551 -9.764 0.079 1.00 14.24 C ATOM 485 O GLY A 34 11.718 -10.115 0.285 1.00 54.42 O ATOM 0 H GLY A 34 10.391 -11.546 -2.363 1.00 14.11 H new ATOM 0 HA2 GLY A 34 9.009 -10.070 -1.398 1.00 21.23 H new ATOM 0 HA3 GLY A 34 8.851 -11.090 0.018 1.00 21.23 H new ATOM 489 N GLY A 35 10.095 -8.577 0.472 1.00 11.04 N ATOM 490 CA GLY A 35 10.932 -7.550 1.073 1.00 25.23 C ATOM 491 C GLY A 35 10.102 -6.607 1.932 1.00 54.42 C ATOM 492 O GLY A 35 8.863 -6.626 1.895 1.00 24.11 O ATOM 0 H GLY A 35 9.118 -8.301 0.379 1.00 11.04 H new ATOM 0 HA2 GLY A 35 11.706 -8.017 1.682 1.00 25.23 H new ATOM 0 HA3 GLY A 35 11.439 -6.985 0.291 1.00 25.23 H new ATOM 496 N SER A 36 10.779 -5.761 2.702 1.00 44.32 N ATOM 497 CA SER A 36 10.198 -4.992 3.788 1.00 43.44 C ATOM 498 C SER A 36 10.316 -3.499 3.475 1.00 23.22 C ATOM 499 O SER A 36 11.419 -2.952 3.478 1.00 2.13 O ATOM 500 CB SER A 36 10.886 -5.429 5.089 1.00 31.21 C ATOM 501 OG SER A 36 12.298 -5.456 4.965 1.00 12.43 O ATOM 0 H SER A 36 11.777 -5.589 2.581 1.00 44.32 H new ATOM 0 HA SER A 36 9.131 -5.178 3.909 1.00 43.44 H new ATOM 0 HB2 SER A 36 10.606 -4.748 5.892 1.00 31.21 H new ATOM 0 HB3 SER A 36 10.529 -6.419 5.372 1.00 31.21 H new ATOM 0 HG SER A 36 12.596 -4.680 4.445 1.00 12.43 H new ATOM 507 N SER A 37 9.209 -2.814 3.184 1.00 4.14 N ATOM 508 CA SER A 37 9.249 -1.473 2.593 1.00 12.42 C ATOM 509 C SER A 37 8.578 -0.473 3.536 1.00 73.31 C ATOM 510 O SER A 37 7.659 -0.860 4.265 1.00 14.32 O ATOM 511 CB SER A 37 8.560 -1.529 1.233 1.00 14.10 C ATOM 512 OG SER A 37 9.160 -2.537 0.436 1.00 1.21 O ATOM 0 H SER A 37 8.267 -3.168 3.349 1.00 4.14 H new ATOM 0 HA SER A 37 10.277 -1.140 2.449 1.00 12.42 H new ATOM 0 HB2 SER A 37 7.498 -1.737 1.361 1.00 14.10 H new ATOM 0 HB3 SER A 37 8.638 -0.563 0.735 1.00 14.10 H new ATOM 0 HG SER A 37 8.715 -2.572 -0.436 1.00 1.21 H new ATOM 518 N LEU A 38 9.013 0.791 3.503 1.00 1.24 N ATOM 519 CA LEU A 38 8.562 1.856 4.399 1.00 25.14 C ATOM 520 C LEU A 38 8.045 3.027 3.570 1.00 72.12 C ATOM 521 O LEU A 38 8.672 3.406 2.578 1.00 43.24 O ATOM 522 CB LEU A 38 9.730 2.337 5.286 1.00 34.21 C ATOM 523 CG LEU A 38 9.310 3.412 6.316 1.00 24.42 C ATOM 524 CD1 LEU A 38 8.469 2.779 7.428 1.00 13.44 C ATOM 525 CD2 LEU A 38 10.513 4.114 6.947 1.00 72.22 C ATOM 0 H LEU A 38 9.711 1.109 2.830 1.00 1.24 H new ATOM 0 HA LEU A 38 7.766 1.471 5.036 1.00 25.14 H new ATOM 0 HB2 LEU A 38 10.152 1.482 5.814 1.00 34.21 H new ATOM 0 HB3 LEU A 38 10.518 2.740 4.650 1.00 34.21 H new ATOM 0 HG LEU A 38 8.727 4.156 5.774 1.00 24.42 H new ATOM 0 HD11 LEU A 38 8.180 3.546 8.147 1.00 13.44 H new ATOM 0 HD12 LEU A 38 7.574 2.330 6.997 1.00 13.44 H new ATOM 0 HD13 LEU A 38 9.053 2.010 7.933 1.00 13.44 H new ATOM 0 HD21 LEU A 38 10.165 4.859 7.663 1.00 72.22 H new ATOM 0 HD22 LEU A 38 11.134 3.380 7.460 1.00 72.22 H new ATOM 0 HD23 LEU A 38 11.098 4.604 6.169 1.00 72.22 H new ATOM 537 N PHE A 39 6.940 3.622 4.009 1.00 34.30 N ATOM 538 CA PHE A 39 6.258 4.738 3.387 1.00 32.42 C ATOM 539 C PHE A 39 5.956 5.754 4.499 1.00 14.12 C ATOM 540 O PHE A 39 4.980 5.601 5.231 1.00 11.14 O ATOM 541 CB PHE A 39 4.988 4.245 2.675 1.00 31.42 C ATOM 542 CG PHE A 39 5.176 3.165 1.623 1.00 54.31 C ATOM 543 CD1 PHE A 39 5.327 1.817 2.006 1.00 52.32 C ATOM 544 CD2 PHE A 39 5.143 3.500 0.256 1.00 23.43 C ATOM 545 CE1 PHE A 39 5.445 0.813 1.032 1.00 61.22 C ATOM 546 CE2 PHE A 39 5.258 2.495 -0.719 1.00 53.54 C ATOM 547 CZ PHE A 39 5.401 1.153 -0.330 1.00 73.43 C ATOM 0 H PHE A 39 6.473 3.314 4.862 1.00 34.30 H new ATOM 0 HA PHE A 39 6.870 5.215 2.622 1.00 32.42 H new ATOM 0 HB2 PHE A 39 4.298 3.869 3.430 1.00 31.42 H new ATOM 0 HB3 PHE A 39 4.508 5.102 2.202 1.00 31.42 H new ATOM 0 HD1 PHE A 39 5.352 1.555 3.054 1.00 52.32 H new ATOM 0 HD2 PHE A 39 5.029 4.531 -0.044 1.00 23.43 H new ATOM 0 HE1 PHE A 39 5.569 -0.218 1.329 1.00 61.22 H new ATOM 0 HE2 PHE A 39 5.236 2.754 -1.767 1.00 53.54 H new ATOM 0 HZ PHE A 39 5.477 0.380 -1.081 1.00 73.43 H new ATOM 557 N ALA A 40 6.804 6.772 4.683 1.00 31.41 N ATOM 558 CA ALA A 40 6.611 7.788 5.723 1.00 44.24 C ATOM 559 C ALA A 40 5.822 8.943 5.123 1.00 31.43 C ATOM 560 O ALA A 40 6.387 9.762 4.390 1.00 62.33 O ATOM 561 CB ALA A 40 7.934 8.281 6.329 1.00 40.23 C ATOM 0 H ALA A 40 7.641 6.914 4.117 1.00 31.41 H new ATOM 0 HA ALA A 40 6.059 7.338 6.548 1.00 44.24 H new ATOM 0 HB1 ALA A 40 7.727 9.031 7.092 1.00 40.23 H new ATOM 0 HB2 ALA A 40 8.463 7.441 6.779 1.00 40.23 H new ATOM 0 HB3 ALA A 40 8.551 8.721 5.546 1.00 40.23 H new ATOM 567 N CYS A 41 4.520 9.003 5.401 1.00 74.33 N ATOM 568 CA CYS A 41 3.682 10.100 4.957 1.00 64.41 C ATOM 569 C CYS A 41 4.122 11.357 5.706 1.00 33.23 C ATOM 570 O CYS A 41 4.325 11.312 6.925 1.00 12.21 O ATOM 571 CB CYS A 41 2.207 9.783 5.212 1.00 42.02 C ATOM 572 SG CYS A 41 1.212 10.982 4.290 1.00 53.01 S ATOM 0 H CYS A 41 4.024 8.292 5.939 1.00 74.33 H new ATOM 0 HA CYS A 41 3.791 10.257 3.884 1.00 64.41 H new ATOM 0 HB2 CYS A 41 1.974 8.767 4.892 1.00 42.02 H new ATOM 0 HB3 CYS A 41 1.983 9.840 6.277 1.00 42.02 H new ATOM 0 HG CYS A 41 1.957 11.575 3.405 1.00 53.01 H new ATOM 578 N LYS A 42 4.253 12.488 5.011 1.00 0.34 N ATOM 579 CA LYS A 42 4.680 13.754 5.613 1.00 60.44 C ATOM 580 C LYS A 42 3.505 14.714 5.837 1.00 44.14 C ATOM 581 O LYS A 42 3.684 15.704 6.549 1.00 40.04 O ATOM 582 CB LYS A 42 5.775 14.407 4.744 1.00 4.04 C ATOM 583 CG LYS A 42 6.692 15.291 5.610 1.00 71.24 C ATOM 584 CD LYS A 42 7.393 16.411 4.841 1.00 72.31 C ATOM 585 CE LYS A 42 8.440 17.061 5.754 1.00 15.10 C ATOM 586 NZ LYS A 42 8.389 18.536 5.703 1.00 63.41 N ATOM 0 H LYS A 42 4.065 12.553 4.011 1.00 0.34 H new ATOM 0 HA LYS A 42 5.093 13.534 6.597 1.00 60.44 H new ATOM 0 HB2 LYS A 42 6.365 13.635 4.250 1.00 4.04 H new ATOM 0 HB3 LYS A 42 5.315 15.008 3.959 1.00 4.04 H new ATOM 0 HG2 LYS A 42 6.100 15.732 6.412 1.00 71.24 H new ATOM 0 HG3 LYS A 42 7.447 14.661 6.080 1.00 71.24 H new ATOM 0 HD2 LYS A 42 7.869 16.012 3.945 1.00 72.31 H new ATOM 0 HD3 LYS A 42 6.667 17.154 4.512 1.00 72.31 H new ATOM 0 HE2 LYS A 42 8.280 16.729 6.780 1.00 15.10 H new ATOM 0 HE3 LYS A 42 9.434 16.724 5.461 1.00 15.10 H new ATOM 0 HZ1 LYS A 42 9.114 18.931 6.336 1.00 63.41 H new ATOM 0 HZ2 LYS A 42 8.567 18.856 4.730 1.00 63.41 H new ATOM 0 HZ3 LYS A 42 7.449 18.862 6.008 1.00 63.41 H new ATOM 600 N ASN A 43 2.327 14.463 5.253 1.00 63.32 N ATOM 601 CA ASN A 43 1.211 15.427 5.245 1.00 51.32 C ATOM 602 C ASN A 43 -0.123 14.851 5.722 1.00 24.23 C ATOM 603 O ASN A 43 -1.097 15.593 5.836 1.00 22.21 O ATOM 604 CB ASN A 43 1.052 16.061 3.856 1.00 15.30 C ATOM 605 CG ASN A 43 0.423 15.096 2.861 1.00 44.23 C ATOM 606 OD1 ASN A 43 0.789 13.929 2.832 1.00 23.30 O ATOM 607 ND2 ASN A 43 -0.490 15.542 2.022 1.00 0.22 N ATOM 0 H ASN A 43 2.117 13.588 4.772 1.00 63.32 H new ATOM 0 HA ASN A 43 1.482 16.192 5.973 1.00 51.32 H new ATOM 0 HB2 ASN A 43 0.435 16.956 3.934 1.00 15.30 H new ATOM 0 HB3 ASN A 43 2.028 16.378 3.488 1.00 15.30 H new ATOM 0 HD21 ASN A 43 -0.903 14.911 1.335 1.00 0.22 H new ATOM 0 HD22 ASN A 43 -0.784 16.518 2.060 1.00 0.22 H new ATOM 614 N TYR A 44 -0.179 13.561 6.044 1.00 14.20 N ATOM 615 CA TYR A 44 -1.302 12.900 6.689 1.00 34.40 C ATOM 616 C TYR A 44 -0.697 11.940 7.717 1.00 34.52 C ATOM 617 O TYR A 44 0.381 11.393 7.466 1.00 35.55 O ATOM 618 CB TYR A 44 -2.106 12.113 5.645 1.00 1.33 C ATOM 619 CG TYR A 44 -3.034 12.886 4.718 1.00 25.11 C ATOM 620 CD1 TYR A 44 -4.384 13.086 5.056 1.00 13.14 C ATOM 621 CD2 TYR A 44 -2.582 13.289 3.449 1.00 13.31 C ATOM 622 CE1 TYR A 44 -5.276 13.639 4.119 1.00 41.05 C ATOM 623 CE2 TYR A 44 -3.461 13.880 2.520 1.00 31.21 C ATOM 624 CZ TYR A 44 -4.827 14.038 2.840 1.00 73.23 C ATOM 625 OH TYR A 44 -5.696 14.619 1.964 1.00 74.23 O ATOM 0 H TYR A 44 0.593 12.923 5.852 1.00 14.20 H new ATOM 0 HA TYR A 44 -1.974 13.616 7.162 1.00 34.40 H new ATOM 0 HB2 TYR A 44 -1.398 11.564 5.025 1.00 1.33 H new ATOM 0 HB3 TYR A 44 -2.706 11.373 6.175 1.00 1.33 H new ATOM 0 HD1 TYR A 44 -4.738 12.814 6.039 1.00 13.14 H new ATOM 0 HD2 TYR A 44 -1.546 13.143 3.182 1.00 13.31 H new ATOM 0 HE1 TYR A 44 -6.317 13.760 4.381 1.00 41.05 H new ATOM 0 HE2 TYR A 44 -3.089 14.213 1.562 1.00 31.21 H new ATOM 0 HH TYR A 44 -5.223 14.848 1.137 1.00 74.23 H new ATOM 635 N LYS A 45 -1.324 11.737 8.881 1.00 52.22 N ATOM 636 CA LYS A 45 -0.894 10.736 9.859 1.00 64.24 C ATOM 637 C LYS A 45 -1.992 9.731 10.192 1.00 40.24 C ATOM 638 O LYS A 45 -1.694 8.684 10.742 1.00 62.52 O ATOM 639 CB LYS A 45 -0.392 11.421 11.137 1.00 21.44 C ATOM 640 CG LYS A 45 0.672 12.478 10.806 1.00 4.12 C ATOM 641 CD LYS A 45 1.733 12.698 11.889 1.00 21.45 C ATOM 642 CE LYS A 45 3.027 13.248 11.264 1.00 44.13 C ATOM 643 NZ LYS A 45 3.331 14.645 11.627 1.00 52.32 N ATOM 0 H LYS A 45 -2.147 12.265 9.171 1.00 52.22 H new ATOM 0 HA LYS A 45 -0.078 10.176 9.403 1.00 64.24 H new ATOM 0 HB2 LYS A 45 -1.228 11.890 11.656 1.00 21.44 H new ATOM 0 HB3 LYS A 45 0.027 10.676 11.814 1.00 21.44 H new ATOM 0 HG2 LYS A 45 1.173 12.189 9.882 1.00 4.12 H new ATOM 0 HG3 LYS A 45 0.171 13.427 10.613 1.00 4.12 H new ATOM 0 HD2 LYS A 45 1.358 13.395 12.639 1.00 21.45 H new ATOM 0 HD3 LYS A 45 1.939 11.759 12.402 1.00 21.45 H new ATOM 0 HE2 LYS A 45 3.861 12.616 11.569 1.00 44.13 H new ATOM 0 HE3 LYS A 45 2.952 13.175 10.179 1.00 44.13 H new ATOM 0 HZ1 LYS A 45 4.216 14.939 11.166 1.00 52.32 H new ATOM 0 HZ2 LYS A 45 2.555 15.262 11.312 1.00 52.32 H new ATOM 0 HZ3 LYS A 45 3.436 14.721 12.659 1.00 52.32 H new ATOM 657 N SER A 46 -3.222 10.036 9.786 1.00 63.53 N ATOM 658 CA SER A 46 -4.432 9.326 10.129 1.00 1.12 C ATOM 659 C SER A 46 -4.978 8.705 8.845 1.00 20.35 C ATOM 660 O SER A 46 -5.449 9.454 7.983 1.00 65.52 O ATOM 661 CB SER A 46 -5.376 10.358 10.774 1.00 71.33 C ATOM 662 OG SER A 46 -5.448 11.556 9.998 1.00 21.54 O ATOM 0 H SER A 46 -3.401 10.832 9.174 1.00 63.53 H new ATOM 0 HA SER A 46 -4.289 8.512 10.840 1.00 1.12 H new ATOM 0 HB2 SER A 46 -6.372 9.928 10.876 1.00 71.33 H new ATOM 0 HB3 SER A 46 -5.027 10.594 11.779 1.00 71.33 H new ATOM 0 HG SER A 46 -5.458 11.328 9.045 1.00 21.54 H new ATOM 668 N PHE A 47 -4.806 7.395 8.653 1.00 61.14 N ATOM 669 CA PHE A 47 -5.296 6.665 7.488 1.00 4.14 C ATOM 670 C PHE A 47 -5.541 5.199 7.849 1.00 63.13 C ATOM 671 O PHE A 47 -5.103 4.742 8.909 1.00 65.52 O ATOM 672 CB PHE A 47 -4.321 6.827 6.309 1.00 0.00 C ATOM 673 CG PHE A 47 -2.869 6.486 6.533 1.00 33.51 C ATOM 674 CD1 PHE A 47 -1.972 7.458 7.011 1.00 43.52 C ATOM 675 CD2 PHE A 47 -2.394 5.225 6.147 1.00 1.22 C ATOM 676 CE1 PHE A 47 -0.606 7.154 7.133 1.00 5.22 C ATOM 677 CE2 PHE A 47 -1.034 4.921 6.281 1.00 72.24 C ATOM 678 CZ PHE A 47 -0.138 5.876 6.790 1.00 25.40 C ATOM 0 H PHE A 47 -4.311 6.802 9.319 1.00 61.14 H new ATOM 0 HA PHE A 47 -6.252 7.082 7.172 1.00 4.14 H new ATOM 0 HB2 PHE A 47 -4.685 6.209 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.372 7.863 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.333 8.438 7.284 1.00 43.52 H new ATOM 0 HD2 PHE A 47 -3.076 4.489 5.747 1.00 1.22 H new ATOM 0 HE1 PHE A 47 0.084 7.904 7.491 1.00 5.22 H new ATOM 0 HE2 PHE A 47 -0.671 3.946 5.991 1.00 72.24 H new ATOM 0 HZ PHE A 47 0.905 5.628 6.917 1.00 25.40 H new ATOM 688 N TRP A 48 -6.248 4.455 6.993 1.00 54.21 N ATOM 689 CA TRP A 48 -6.672 3.085 7.279 1.00 32.35 C ATOM 690 C TRP A 48 -6.804 2.241 6.010 1.00 23.21 C ATOM 691 O TRP A 48 -6.598 2.707 4.887 1.00 74.21 O ATOM 692 CB TRP A 48 -7.995 3.112 8.057 1.00 14.12 C ATOM 693 CG TRP A 48 -9.139 3.741 7.332 1.00 13.32 C ATOM 694 CD1 TRP A 48 -9.956 3.101 6.468 1.00 4.01 C ATOM 695 CD2 TRP A 48 -9.579 5.134 7.344 1.00 3.01 C ATOM 696 NE1 TRP A 48 -10.872 3.989 5.954 1.00 24.10 N ATOM 697 CE2 TRP A 48 -10.701 5.255 6.474 1.00 13.21 C ATOM 698 CE3 TRP A 48 -9.140 6.309 7.992 1.00 31.15 C ATOM 699 CZ2 TRP A 48 -11.353 6.478 6.262 1.00 33.21 C ATOM 700 CZ3 TRP A 48 -9.764 7.549 7.760 1.00 45.45 C ATOM 701 CH2 TRP A 48 -10.874 7.635 6.900 1.00 23.22 C ATOM 0 H TRP A 48 -6.543 4.791 6.076 1.00 54.21 H new ATOM 0 HA TRP A 48 -5.900 2.613 7.887 1.00 32.35 H new ATOM 0 HB2 TRP A 48 -8.267 2.089 8.317 1.00 14.12 H new ATOM 0 HB3 TRP A 48 -7.838 3.648 8.993 1.00 14.12 H new ATOM 0 HD1 TRP A 48 -9.899 2.052 6.219 1.00 4.01 H new ATOM 0 HE1 TRP A 48 -11.589 3.742 5.272 1.00 24.10 H new ATOM 0 HE3 TRP A 48 -8.309 6.255 8.679 1.00 31.15 H new ATOM 0 HZ2 TRP A 48 -12.216 6.530 5.614 1.00 33.21 H new ATOM 0 HZ3 TRP A 48 -9.389 8.438 8.244 1.00 45.45 H new ATOM 0 HH2 TRP A 48 -11.356 8.586 6.731 1.00 23.22 H new ATOM 712 N ILE A 49 -7.144 0.967 6.212 1.00 52.11 N ATOM 713 CA ILE A 49 -7.285 -0.054 5.189 1.00 51.04 C ATOM 714 C ILE A 49 -8.762 -0.200 4.844 1.00 54.42 C ATOM 715 O ILE A 49 -9.564 -0.507 5.731 1.00 61.14 O ATOM 716 CB ILE A 49 -6.739 -1.404 5.688 1.00 71.31 C ATOM 717 CG1 ILE A 49 -5.342 -1.276 6.330 1.00 1.40 C ATOM 718 CG2 ILE A 49 -6.753 -2.421 4.524 1.00 2.45 C ATOM 719 CD1 ILE A 49 -4.224 -0.857 5.372 1.00 51.52 C ATOM 0 H ILE A 49 -7.337 0.607 7.147 1.00 52.11 H new ATOM 0 HA ILE A 49 -6.716 0.242 4.308 1.00 51.04 H new ATOM 0 HB ILE A 49 -7.390 -1.767 6.483 1.00 71.31 H new ATOM 0 HG12 ILE A 49 -5.397 -0.549 7.140 1.00 1.40 H new ATOM 0 HG13 ILE A 49 -5.076 -2.233 6.778 1.00 1.40 H new ATOM 0 HG21 ILE A 49 -6.367 -3.379 4.873 1.00 2.45 H new ATOM 0 HG22 ILE A 49 -7.774 -2.550 4.166 1.00 2.45 H new ATOM 0 HG23 ILE A 49 -6.127 -2.052 3.711 1.00 2.45 H new ATOM 0 HD11 ILE A 49 -3.282 -0.795 5.917 1.00 51.52 H new ATOM 0 HD12 ILE A 49 -4.133 -1.594 4.574 1.00 51.52 H new ATOM 0 HD13 ILE A 49 -4.459 0.117 4.942 1.00 51.52 H new ATOM 731 N SER A 50 -9.101 -0.031 3.568 1.00 43.22 N ATOM 732 CA SER A 50 -10.441 -0.310 3.057 1.00 3.10 C ATOM 733 C SER A 50 -10.455 -0.948 1.656 1.00 1.03 C ATOM 734 O SER A 50 -11.540 -1.150 1.102 1.00 3.24 O ATOM 735 CB SER A 50 -11.300 0.962 3.138 1.00 5.11 C ATOM 736 OG SER A 50 -12.355 0.780 4.061 1.00 4.34 O ATOM 0 H SER A 50 -8.452 0.305 2.857 1.00 43.22 H new ATOM 0 HA SER A 50 -10.882 -1.073 3.698 1.00 3.10 H new ATOM 0 HB2 SER A 50 -10.683 1.808 3.442 1.00 5.11 H new ATOM 0 HB3 SER A 50 -11.705 1.200 2.154 1.00 5.11 H new ATOM 0 HG SER A 50 -12.895 1.597 4.106 1.00 4.34 H new ATOM 742 N SER A 51 -9.302 -1.307 1.074 1.00 73.24 N ATOM 743 CA SER A 51 -9.255 -2.189 -0.093 1.00 62.34 C ATOM 744 C SER A 51 -7.954 -2.990 -0.147 1.00 0.43 C ATOM 745 O SER A 51 -6.880 -2.423 0.078 1.00 73.44 O ATOM 746 CB SER A 51 -9.403 -1.372 -1.378 1.00 2.44 C ATOM 747 OG SER A 51 -10.731 -0.928 -1.541 1.00 51.01 O ATOM 0 H SER A 51 -8.386 -0.996 1.397 1.00 73.24 H new ATOM 0 HA SER A 51 -10.083 -2.892 -0.004 1.00 62.34 H new ATOM 0 HB2 SER A 51 -8.730 -0.515 -1.349 1.00 2.44 H new ATOM 0 HB3 SER A 51 -9.110 -1.978 -2.235 1.00 2.44 H new ATOM 0 HG SER A 51 -11.230 -1.076 -0.711 1.00 51.01 H new ATOM 753 N VAL A 52 -8.041 -4.274 -0.514 1.00 53.21 N ATOM 754 CA VAL A 52 -6.918 -5.136 -0.884 1.00 15.20 C ATOM 755 C VAL A 52 -7.362 -5.990 -2.082 1.00 12.42 C ATOM 756 O VAL A 52 -8.321 -6.757 -1.966 1.00 71.35 O ATOM 757 CB VAL A 52 -6.464 -6.011 0.314 1.00 2.42 C ATOM 758 CG1 VAL A 52 -5.334 -6.981 -0.073 1.00 4.24 C ATOM 759 CG2 VAL A 52 -5.954 -5.168 1.496 1.00 31.52 C ATOM 0 H VAL A 52 -8.937 -4.760 -0.563 1.00 53.21 H new ATOM 0 HA VAL A 52 -6.052 -4.535 -1.162 1.00 15.20 H new ATOM 0 HB VAL A 52 -7.355 -6.566 0.608 1.00 2.42 H new ATOM 0 HG11 VAL A 52 -5.049 -7.573 0.797 1.00 4.24 H new ATOM 0 HG12 VAL A 52 -5.680 -7.644 -0.866 1.00 4.24 H new ATOM 0 HG13 VAL A 52 -4.472 -6.414 -0.425 1.00 4.24 H new ATOM 0 HG21 VAL A 52 -5.649 -5.828 2.308 1.00 31.52 H new ATOM 0 HG22 VAL A 52 -5.102 -4.569 1.175 1.00 31.52 H new ATOM 0 HG23 VAL A 52 -6.750 -4.509 1.843 1.00 31.52 H new ATOM 769 N LYS A 53 -6.686 -5.890 -3.235 1.00 42.11 N ATOM 770 CA LYS A 53 -6.729 -6.953 -4.255 1.00 24.13 C ATOM 771 C LYS A 53 -5.725 -8.016 -3.848 1.00 41.04 C ATOM 772 O LYS A 53 -4.682 -7.649 -3.323 1.00 42.44 O ATOM 773 CB LYS A 53 -6.404 -6.411 -5.662 1.00 55.23 C ATOM 774 CG LYS A 53 -6.049 -7.502 -6.695 1.00 54.03 C ATOM 775 CD LYS A 53 -6.239 -7.094 -8.159 1.00 34.33 C ATOM 776 CE LYS A 53 -5.391 -5.878 -8.508 1.00 14.01 C ATOM 777 NZ LYS A 53 -5.603 -5.439 -9.898 1.00 62.54 N ATOM 0 H LYS A 53 -6.105 -5.090 -3.486 1.00 42.11 H new ATOM 0 HA LYS A 53 -7.735 -7.369 -4.309 1.00 24.13 H new ATOM 0 HB2 LYS A 53 -7.261 -5.845 -6.028 1.00 55.23 H new ATOM 0 HB3 LYS A 53 -5.570 -5.713 -5.586 1.00 55.23 H new ATOM 0 HG2 LYS A 53 -5.010 -7.796 -6.548 1.00 54.03 H new ATOM 0 HG3 LYS A 53 -6.661 -8.382 -6.496 1.00 54.03 H new ATOM 0 HD2 LYS A 53 -5.970 -7.927 -8.809 1.00 34.33 H new ATOM 0 HD3 LYS A 53 -7.290 -6.872 -8.344 1.00 34.33 H new ATOM 0 HE2 LYS A 53 -5.632 -5.060 -7.829 1.00 14.01 H new ATOM 0 HE3 LYS A 53 -4.338 -6.116 -8.359 1.00 14.01 H new ATOM 0 HZ1 LYS A 53 -5.007 -4.609 -10.095 1.00 62.54 H new ATOM 0 HZ2 LYS A 53 -5.349 -6.210 -10.548 1.00 62.54 H new ATOM 0 HZ3 LYS A 53 -6.603 -5.187 -10.034 1.00 62.54 H new ATOM 791 N GLU A 54 -5.986 -9.294 -4.134 1.00 14.22 N ATOM 792 CA GLU A 54 -4.998 -10.358 -3.905 1.00 21.15 C ATOM 793 C GLU A 54 -5.051 -11.482 -4.944 1.00 13.30 C ATOM 794 O GLU A 54 -4.212 -12.380 -4.916 1.00 72.31 O ATOM 795 CB GLU A 54 -5.169 -10.920 -2.482 1.00 1.00 C ATOM 796 CG GLU A 54 -3.837 -11.061 -1.731 1.00 31.30 C ATOM 797 CD GLU A 54 -4.053 -12.018 -0.550 1.00 20.41 C ATOM 798 OE1 GLU A 54 -4.652 -11.578 0.438 1.00 33.31 O ATOM 799 OE2 GLU A 54 -3.734 -13.233 -0.705 1.00 11.10 O ATOM 0 H GLU A 54 -6.871 -9.619 -4.524 1.00 14.22 H new ATOM 0 HA GLU A 54 -4.012 -9.906 -4.014 1.00 21.15 H new ATOM 0 HB2 GLU A 54 -5.832 -10.266 -1.916 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -5.654 -11.895 -2.538 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -3.064 -11.446 -2.396 1.00 31.30 H new ATOM 0 HG3 GLU A 54 -3.496 -10.089 -1.375 1.00 31.30 H new ATOM 806 N GLU A 55 -6.039 -11.450 -5.846 1.00 2.35 N ATOM 807 CA GLU A 55 -6.457 -12.636 -6.590 1.00 54.43 C ATOM 808 C GLU A 55 -6.946 -12.300 -8.004 1.00 32.31 C ATOM 809 O GLU A 55 -7.476 -13.160 -8.703 1.00 15.33 O ATOM 810 CB GLU A 55 -7.551 -13.336 -5.754 1.00 25.40 C ATOM 811 CG GLU A 55 -7.234 -14.816 -5.535 1.00 2.22 C ATOM 812 CD GLU A 55 -7.660 -15.705 -6.710 1.00 14.10 C ATOM 813 OE1 GLU A 55 -8.890 -15.831 -6.951 1.00 2.40 O ATOM 814 OE2 GLU A 55 -6.810 -16.350 -7.356 1.00 54.25 O ATOM 0 H GLU A 55 -6.565 -10.607 -6.077 1.00 2.35 H new ATOM 0 HA GLU A 55 -5.605 -13.300 -6.738 1.00 54.43 H new ATOM 0 HB2 GLU A 55 -7.647 -12.838 -4.789 1.00 25.40 H new ATOM 0 HB3 GLU A 55 -8.512 -13.240 -6.259 1.00 25.40 H new ATOM 0 HG2 GLU A 55 -6.163 -14.931 -5.370 1.00 2.22 H new ATOM 0 HG3 GLU A 55 -7.734 -15.158 -4.629 1.00 2.22 H new ATOM 821 N GLY A 56 -6.810 -11.045 -8.432 1.00 4.24 N ATOM 822 CA GLY A 56 -7.492 -10.494 -9.600 1.00 24.45 C ATOM 823 C GLY A 56 -8.813 -9.814 -9.222 1.00 34.21 C ATOM 824 O GLY A 56 -9.389 -9.110 -10.050 1.00 4.03 O ATOM 0 H GLY A 56 -6.208 -10.368 -7.964 1.00 4.24 H new ATOM 0 HA2 GLY A 56 -6.841 -9.773 -10.094 1.00 24.45 H new ATOM 0 HA3 GLY A 56 -7.686 -11.292 -10.317 1.00 24.45 H new ATOM 828 N LYS A 57 -9.268 -9.955 -7.970 1.00 42.23 N ATOM 829 CA LYS A 57 -10.426 -9.272 -7.391 1.00 1.00 C ATOM 830 C LYS A 57 -10.034 -8.647 -6.057 1.00 45.03 C ATOM 831 O LYS A 57 -8.970 -8.984 -5.519 1.00 53.15 O ATOM 832 CB LYS A 57 -11.604 -10.244 -7.202 1.00 2.30 C ATOM 833 CG LYS A 57 -11.254 -11.459 -6.317 1.00 72.13 C ATOM 834 CD LYS A 57 -12.375 -11.780 -5.327 1.00 52.52 C ATOM 835 CE LYS A 57 -12.036 -13.073 -4.589 1.00 31.23 C ATOM 836 NZ LYS A 57 -13.234 -13.671 -3.967 1.00 42.13 N ATOM 0 H LYS A 57 -8.814 -10.580 -7.303 1.00 42.23 H new ATOM 0 HA LYS A 57 -10.748 -8.488 -8.077 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -12.441 -9.707 -6.756 1.00 2.30 H new ATOM 0 HB3 LYS A 57 -11.935 -10.597 -8.178 1.00 2.30 H new ATOM 0 HG2 LYS A 57 -11.067 -12.327 -6.949 1.00 72.13 H new ATOM 0 HG3 LYS A 57 -10.333 -11.258 -5.771 1.00 72.13 H new ATOM 0 HD2 LYS A 57 -12.495 -10.962 -4.617 1.00 52.52 H new ATOM 0 HD3 LYS A 57 -13.323 -11.886 -5.854 1.00 52.52 H new ATOM 0 HE2 LYS A 57 -11.592 -13.785 -5.285 1.00 31.23 H new ATOM 0 HE3 LYS A 57 -11.289 -12.870 -3.821 1.00 31.23 H new ATOM 0 HZ1 LYS A 57 -12.968 -14.547 -3.474 1.00 42.13 H new ATOM 0 HZ2 LYS A 57 -13.642 -13.000 -3.285 1.00 42.13 H new ATOM 0 HZ3 LYS A 57 -13.936 -13.887 -4.703 1.00 42.13 H new ATOM 850 N PHE A 58 -10.875 -7.755 -5.535 1.00 34.32 N ATOM 851 CA PHE A 58 -10.728 -7.174 -4.205 1.00 32.33 C ATOM 852 C PHE A 58 -11.397 -8.105 -3.190 1.00 60.44 C ATOM 853 O PHE A 58 -12.381 -8.769 -3.506 1.00 22.11 O ATOM 854 CB PHE A 58 -11.362 -5.771 -4.152 1.00 41.21 C ATOM 855 CG PHE A 58 -10.552 -4.616 -4.731 1.00 71.11 C ATOM 856 CD1 PHE A 58 -9.693 -4.783 -5.838 1.00 20.13 C ATOM 857 CD2 PHE A 58 -10.693 -3.332 -4.169 1.00 52.32 C ATOM 858 CE1 PHE A 58 -8.958 -3.697 -6.342 1.00 3.01 C ATOM 859 CE2 PHE A 58 -9.978 -2.240 -4.693 1.00 20.11 C ATOM 860 CZ PHE A 58 -9.096 -2.425 -5.768 1.00 20.35 C ATOM 0 H PHE A 58 -11.694 -7.410 -6.037 1.00 34.32 H new ATOM 0 HA PHE A 58 -9.670 -7.067 -3.966 1.00 32.33 H new ATOM 0 HB2 PHE A 58 -12.316 -5.812 -4.678 1.00 41.21 H new ATOM 0 HB3 PHE A 58 -11.583 -5.539 -3.110 1.00 41.21 H new ATOM 0 HD1 PHE A 58 -9.600 -5.754 -6.302 1.00 20.13 H new ATOM 0 HD2 PHE A 58 -11.356 -3.185 -3.329 1.00 52.32 H new ATOM 0 HE1 PHE A 58 -8.285 -3.842 -7.174 1.00 3.01 H new ATOM 0 HE2 PHE A 58 -10.108 -1.256 -4.267 1.00 20.11 H new ATOM 0 HZ PHE A 58 -8.526 -1.592 -6.152 1.00 20.35 H new ATOM 870 N LYS A 59 -10.879 -8.127 -1.967 1.00 3.20 N ATOM 871 CA LYS A 59 -11.465 -8.740 -0.775 1.00 4.31 C ATOM 872 C LYS A 59 -11.820 -7.633 0.226 1.00 52.15 C ATOM 873 O LYS A 59 -11.870 -6.457 -0.147 1.00 20.14 O ATOM 874 CB LYS A 59 -10.515 -9.826 -0.227 1.00 40.34 C ATOM 875 CG LYS A 59 -9.130 -9.292 0.189 1.00 1.02 C ATOM 876 CD LYS A 59 -8.674 -9.825 1.555 1.00 54.14 C ATOM 877 CE LYS A 59 -8.388 -11.332 1.643 1.00 42.12 C ATOM 878 NZ LYS A 59 -7.275 -11.805 0.789 1.00 72.41 N ATOM 0 H LYS A 59 -9.980 -7.689 -1.766 1.00 3.20 H new ATOM 0 HA LYS A 59 -12.396 -9.259 -1.004 1.00 4.31 H new ATOM 0 HB2 LYS A 59 -10.983 -10.304 0.634 1.00 40.34 H new ATOM 0 HB3 LYS A 59 -10.383 -10.597 -0.987 1.00 40.34 H new ATOM 0 HG2 LYS A 59 -8.396 -9.569 -0.568 1.00 1.02 H new ATOM 0 HG3 LYS A 59 -9.160 -8.203 0.220 1.00 1.02 H new ATOM 0 HD2 LYS A 59 -7.771 -9.289 1.846 1.00 54.14 H new ATOM 0 HD3 LYS A 59 -9.441 -9.580 2.290 1.00 54.14 H new ATOM 0 HE2 LYS A 59 -8.165 -11.585 2.679 1.00 42.12 H new ATOM 0 HE3 LYS A 59 -9.293 -11.875 1.370 1.00 42.12 H new ATOM 0 HZ1 LYS A 59 -7.176 -12.836 0.887 1.00 72.41 H new ATOM 0 HZ2 LYS A 59 -7.475 -11.569 -0.204 1.00 72.41 H new ATOM 0 HZ3 LYS A 59 -6.391 -11.343 1.084 1.00 72.41 H new ATOM 892 N GLU A 60 -12.120 -7.997 1.468 1.00 71.53 N ATOM 893 CA GLU A 60 -12.574 -7.109 2.533 1.00 20.11 C ATOM 894 C GLU A 60 -11.592 -7.186 3.702 1.00 42.32 C ATOM 895 O GLU A 60 -10.645 -7.978 3.665 1.00 53.02 O ATOM 896 CB GLU A 60 -14.001 -7.484 2.956 1.00 4.34 C ATOM 897 CG GLU A 60 -15.008 -7.281 1.828 1.00 15.04 C ATOM 898 CD GLU A 60 -16.475 -7.344 2.272 1.00 54.22 C ATOM 899 OE1 GLU A 60 -16.795 -7.803 3.391 1.00 63.21 O ATOM 900 OE2 GLU A 60 -17.318 -6.899 1.454 1.00 33.31 O ATOM 0 H GLU A 60 -12.050 -8.967 1.775 1.00 71.53 H new ATOM 0 HA GLU A 60 -12.601 -6.078 2.179 1.00 20.11 H new ATOM 0 HB2 GLU A 60 -14.021 -8.526 3.276 1.00 4.34 H new ATOM 0 HB3 GLU A 60 -14.294 -6.881 3.815 1.00 4.34 H new ATOM 0 HG2 GLU A 60 -14.823 -6.313 1.362 1.00 15.04 H new ATOM 0 HG3 GLU A 60 -14.839 -8.040 1.065 1.00 15.04 H new ATOM 907 N ASN A 61 -11.758 -6.347 4.723 1.00 32.14 N ATOM 908 CA ASN A 61 -10.797 -6.178 5.803 1.00 15.50 C ATOM 909 C ASN A 61 -11.540 -6.187 7.130 1.00 1.00 C ATOM 910 O ASN A 61 -12.682 -5.735 7.203 1.00 1.12 O ATOM 911 CB ASN A 61 -10.051 -4.843 5.625 1.00 62.44 C ATOM 912 CG ASN A 61 -8.589 -4.977 6.010 1.00 2.23 C ATOM 913 OD1 ASN A 61 -7.833 -5.565 5.256 1.00 64.31 O ATOM 914 ND2 ASN A 61 -8.152 -4.452 7.139 1.00 25.51 N ATOM 0 H ASN A 61 -12.583 -5.755 4.821 1.00 32.14 H new ATOM 0 HA ASN A 61 -10.072 -6.992 5.787 1.00 15.50 H new ATOM 0 HB2 ASN A 61 -10.128 -4.515 4.588 1.00 62.44 H new ATOM 0 HB3 ASN A 61 -10.523 -4.075 6.238 1.00 62.44 H new ATOM 0 HD21 ASN A 61 -7.167 -4.535 7.393 1.00 25.51 H new ATOM 0 HD22 ASN A 61 -8.799 -3.963 7.758 1.00 25.51 H new ATOM 921 N THR A 62 -10.859 -6.608 8.190 1.00 52.05 N ATOM 922 CA THR A 62 -11.403 -6.741 9.542 1.00 43.14 C ATOM 923 C THR A 62 -10.583 -5.894 10.535 1.00 31.44 C ATOM 924 O THR A 62 -10.532 -6.176 11.730 1.00 3.24 O ATOM 925 CB THR A 62 -11.567 -8.239 9.867 1.00 21.11 C ATOM 926 OG1 THR A 62 -12.373 -8.440 11.014 1.00 1.30 O ATOM 927 CG2 THR A 62 -10.230 -8.957 10.005 1.00 24.13 C ATOM 0 H THR A 62 -9.877 -6.877 8.132 1.00 52.05 H new ATOM 0 HA THR A 62 -12.406 -6.324 9.629 1.00 43.14 H new ATOM 0 HB THR A 62 -12.080 -8.683 9.014 1.00 21.11 H new ATOM 0 HG1 THR A 62 -12.125 -7.791 11.706 1.00 1.30 H new ATOM 0 HG21 THR A 62 -10.404 -10.008 10.234 1.00 24.13 H new ATOM 0 HG22 THR A 62 -9.675 -8.876 9.070 1.00 24.13 H new ATOM 0 HG23 THR A 62 -9.653 -8.501 10.810 1.00 24.13 H new ATOM 935 N SER A 63 -9.899 -4.857 10.048 1.00 72.23 N ATOM 936 CA SER A 63 -9.107 -3.938 10.849 1.00 63.53 C ATOM 937 C SER A 63 -9.035 -2.597 10.113 1.00 31.21 C ATOM 938 O SER A 63 -9.234 -2.546 8.894 1.00 31.50 O ATOM 939 CB SER A 63 -7.716 -4.561 11.038 1.00 55.13 C ATOM 940 OG SER A 63 -6.928 -3.839 11.959 1.00 32.43 O ATOM 0 H SER A 63 -9.884 -4.632 9.053 1.00 72.23 H new ATOM 0 HA SER A 63 -9.548 -3.763 11.830 1.00 63.53 H new ATOM 0 HB2 SER A 63 -7.824 -5.589 11.383 1.00 55.13 H new ATOM 0 HB3 SER A 63 -7.204 -4.600 10.077 1.00 55.13 H new ATOM 0 HG SER A 63 -6.310 -4.451 12.411 1.00 32.43 H new ATOM 946 N TYR A 64 -8.678 -1.526 10.822 1.00 12.42 N ATOM 947 CA TYR A 64 -8.479 -0.185 10.268 1.00 35.44 C ATOM 948 C TYR A 64 -7.026 0.270 10.387 1.00 73.24 C ATOM 949 O TYR A 64 -6.711 1.460 10.318 1.00 2.32 O ATOM 950 CB TYR A 64 -9.500 0.794 10.864 1.00 3.34 C ATOM 951 CG TYR A 64 -10.930 0.372 10.597 1.00 53.11 C ATOM 952 CD1 TYR A 64 -11.463 0.480 9.300 1.00 33.42 C ATOM 953 CD2 TYR A 64 -11.700 -0.216 11.616 1.00 65.44 C ATOM 954 CE1 TYR A 64 -12.750 -0.015 9.020 1.00 4.53 C ATOM 955 CE2 TYR A 64 -12.995 -0.685 11.349 1.00 42.22 C ATOM 956 CZ TYR A 64 -13.515 -0.621 10.040 1.00 2.00 C ATOM 957 OH TYR A 64 -14.729 -1.172 9.764 1.00 40.25 O ATOM 0 H TYR A 64 -8.514 -1.568 11.828 1.00 12.42 H new ATOM 0 HA TYR A 64 -8.670 -0.210 9.195 1.00 35.44 H new ATOM 0 HB2 TYR A 64 -9.341 0.870 11.940 1.00 3.34 H new ATOM 0 HB3 TYR A 64 -9.333 1.787 10.447 1.00 3.34 H new ATOM 0 HD1 TYR A 64 -10.883 0.944 8.516 1.00 33.42 H new ATOM 0 HD2 TYR A 64 -11.292 -0.307 12.612 1.00 65.44 H new ATOM 0 HE1 TYR A 64 -13.154 0.069 8.022 1.00 4.53 H new ATOM 0 HE2 TYR A 64 -13.595 -1.096 12.148 1.00 42.22 H new ATOM 0 HH TYR A 64 -15.113 -1.545 10.585 1.00 40.25 H new ATOM 967 N LYS A 65 -6.126 -0.690 10.581 1.00 3.00 N ATOM 968 CA LYS A 65 -4.720 -0.451 10.869 1.00 0.01 C ATOM 969 C LYS A 65 -3.817 -1.616 10.478 1.00 72.32 C ATOM 970 O LYS A 65 -2.608 -1.427 10.387 1.00 0.40 O ATOM 971 CB LYS A 65 -4.544 -0.029 12.343 1.00 23.24 C ATOM 972 CG LYS A 65 -5.664 -0.479 13.305 1.00 22.10 C ATOM 973 CD LYS A 65 -5.239 -0.419 14.779 1.00 0.10 C ATOM 974 CE LYS A 65 -6.402 -0.864 15.671 1.00 33.15 C ATOM 975 NZ LYS A 65 -6.118 -0.668 17.107 1.00 20.53 N ATOM 0 H LYS A 65 -6.364 -1.681 10.541 1.00 3.00 H new ATOM 0 HA LYS A 65 -4.392 0.375 10.238 1.00 0.01 H new ATOM 0 HB2 LYS A 65 -3.597 -0.428 12.706 1.00 23.24 H new ATOM 0 HB3 LYS A 65 -4.469 1.058 12.384 1.00 23.24 H new ATOM 0 HG2 LYS A 65 -6.540 0.153 13.158 1.00 22.10 H new ATOM 0 HG3 LYS A 65 -5.962 -1.498 13.058 1.00 22.10 H new ATOM 0 HD2 LYS A 65 -4.375 -1.062 14.945 1.00 0.10 H new ATOM 0 HD3 LYS A 65 -4.936 0.595 15.039 1.00 0.10 H new ATOM 0 HE2 LYS A 65 -7.298 -0.305 15.401 1.00 33.15 H new ATOM 0 HE3 LYS A 65 -6.616 -1.917 15.486 1.00 33.15 H new ATOM 0 HZ1 LYS A 65 -6.934 -0.984 17.669 1.00 20.53 H new ATOM 0 HZ2 LYS A 65 -5.279 -1.222 17.374 1.00 20.53 H new ATOM 0 HZ3 LYS A 65 -5.940 0.340 17.291 1.00 20.53 H new ATOM 989 N GLU A 66 -4.361 -2.792 10.177 1.00 71.53 N ATOM 990 CA GLU A 66 -3.584 -3.954 9.778 1.00 11.55 C ATOM 991 C GLU A 66 -4.307 -4.633 8.621 1.00 2.43 C ATOM 992 O GLU A 66 -5.491 -4.377 8.362 1.00 1.54 O ATOM 993 CB GLU A 66 -3.424 -4.896 10.988 1.00 31.52 C ATOM 994 CG GLU A 66 -2.166 -4.578 11.813 1.00 32.14 C ATOM 995 CD GLU A 66 -2.263 -4.883 13.319 1.00 21.25 C ATOM 996 OE1 GLU A 66 -3.300 -5.373 13.821 1.00 73.23 O ATOM 997 OE2 GLU A 66 -1.298 -4.593 14.064 1.00 1.00 O ATOM 0 H GLU A 66 -5.366 -2.963 10.205 1.00 71.53 H new ATOM 0 HA GLU A 66 -2.585 -3.670 9.447 1.00 11.55 H new ATOM 0 HB2 GLU A 66 -4.304 -4.817 11.626 1.00 31.52 H new ATOM 0 HB3 GLU A 66 -3.376 -5.927 10.639 1.00 31.52 H new ATOM 0 HG2 GLU A 66 -1.330 -5.142 11.399 1.00 32.14 H new ATOM 0 HG3 GLU A 66 -1.930 -3.521 11.689 1.00 32.14 H new ATOM 1004 N PHE A 67 -3.591 -5.526 7.945 1.00 1.32 N ATOM 1005 CA PHE A 67 -4.198 -6.601 7.183 1.00 52.34 C ATOM 1006 C PHE A 67 -3.222 -7.762 7.131 1.00 4.43 C ATOM 1007 O PHE A 67 -2.063 -7.574 6.753 1.00 32.32 O ATOM 1008 CB PHE A 67 -4.575 -6.178 5.758 1.00 64.51 C ATOM 1009 CG PHE A 67 -5.093 -7.364 4.957 1.00 42.24 C ATOM 1010 CD1 PHE A 67 -6.256 -8.030 5.385 1.00 13.42 C ATOM 1011 CD2 PHE A 67 -4.342 -7.901 3.890 1.00 11.43 C ATOM 1012 CE1 PHE A 67 -6.655 -9.229 4.779 1.00 54.21 C ATOM 1013 CE2 PHE A 67 -4.750 -9.101 3.277 1.00 45.13 C ATOM 1014 CZ PHE A 67 -5.891 -9.780 3.738 1.00 5.34 C ATOM 0 H PHE A 67 -2.572 -5.521 7.913 1.00 1.32 H new ATOM 0 HA PHE A 67 -5.125 -6.887 7.681 1.00 52.34 H new ATOM 0 HB2 PHE A 67 -5.337 -5.399 5.795 1.00 64.51 H new ATOM 0 HB3 PHE A 67 -3.705 -5.750 5.260 1.00 64.51 H new ATOM 0 HD1 PHE A 67 -6.847 -7.614 6.188 1.00 13.42 H new ATOM 0 HD2 PHE A 67 -3.455 -7.392 3.544 1.00 11.43 H new ATOM 0 HE1 PHE A 67 -7.552 -9.730 5.113 1.00 54.21 H new ATOM 0 HE2 PHE A 67 -4.184 -9.501 2.449 1.00 45.13 H new ATOM 0 HZ PHE A 67 -6.179 -10.721 3.293 1.00 5.34 H new ATOM 1024 N ASP A 68 -3.700 -8.951 7.479 1.00 15.45 N ATOM 1025 CA ASP A 68 -2.966 -10.197 7.568 1.00 12.21 C ATOM 1026 C ASP A 68 -3.570 -11.201 6.578 1.00 32.30 C ATOM 1027 O ASP A 68 -4.516 -11.939 6.877 1.00 42.24 O ATOM 1028 CB ASP A 68 -2.869 -10.694 9.030 1.00 71.31 C ATOM 1029 CG ASP A 68 -4.147 -10.727 9.885 1.00 14.43 C ATOM 1030 OD1 ASP A 68 -5.145 -10.034 9.593 1.00 13.51 O ATOM 1031 OD2 ASP A 68 -4.126 -11.383 10.956 1.00 14.20 O ATOM 0 H ASP A 68 -4.683 -9.073 7.723 1.00 15.45 H new ATOM 0 HA ASP A 68 -1.927 -10.053 7.273 1.00 12.21 H new ATOM 0 HB2 ASP A 68 -2.459 -11.704 9.009 1.00 71.31 H new ATOM 0 HB3 ASP A 68 -2.143 -10.065 9.545 1.00 71.31 H new ATOM 1036 N GLY A 69 -3.010 -11.204 5.364 1.00 61.11 N ATOM 1037 CA GLY A 69 -3.357 -12.067 4.234 1.00 15.35 C ATOM 1038 C GLY A 69 -2.526 -13.350 4.194 1.00 55.31 C ATOM 1039 O GLY A 69 -2.409 -13.985 3.148 1.00 34.32 O ATOM 0 H GLY A 69 -2.253 -10.561 5.131 1.00 61.11 H new ATOM 0 HA2 GLY A 69 -4.414 -12.326 4.291 1.00 15.35 H new ATOM 0 HA3 GLY A 69 -3.213 -11.517 3.304 1.00 15.35 H new ATOM 1043 N GLY A 70 -1.878 -13.715 5.299 1.00 34.33 N ATOM 1044 CA GLY A 70 -1.032 -14.887 5.403 1.00 54.32 C ATOM 1045 C GLY A 70 0.358 -14.566 4.862 1.00 12.41 C ATOM 1046 O GLY A 70 1.278 -14.273 5.632 1.00 53.21 O ATOM 0 H GLY A 70 -1.933 -13.183 6.168 1.00 34.33 H new ATOM 0 HA2 GLY A 70 -0.963 -15.207 6.443 1.00 54.32 H new ATOM 0 HA3 GLY A 70 -1.469 -15.714 4.843 1.00 54.32 H new ATOM 1050 N TRP A 71 0.533 -14.573 3.541 1.00 44.22 N ATOM 1051 CA TRP A 71 1.825 -14.321 2.892 1.00 62.33 C ATOM 1052 C TRP A 71 2.274 -12.858 2.968 1.00 44.14 C ATOM 1053 O TRP A 71 3.389 -12.530 2.551 1.00 65.23 O ATOM 1054 CB TRP A 71 1.773 -14.790 1.432 1.00 42.33 C ATOM 1055 CG TRP A 71 0.864 -14.059 0.490 1.00 14.30 C ATOM 1056 CD1 TRP A 71 -0.478 -14.190 0.442 1.00 23.11 C ATOM 1057 CD2 TRP A 71 1.204 -13.135 -0.594 1.00 3.41 C ATOM 1058 NE1 TRP A 71 -0.967 -13.453 -0.614 1.00 60.43 N ATOM 1059 CE2 TRP A 71 0.023 -12.834 -1.333 1.00 44.52 C ATOM 1060 CE3 TRP A 71 2.394 -12.537 -1.047 1.00 25.51 C ATOM 1061 CZ2 TRP A 71 0.030 -12.091 -2.530 1.00 32.33 C ATOM 1062 CZ3 TRP A 71 2.422 -11.736 -2.200 1.00 43.11 C ATOM 1063 CH2 TRP A 71 1.258 -11.570 -2.972 1.00 55.21 C ATOM 0 H TRP A 71 -0.224 -14.755 2.882 1.00 44.22 H new ATOM 0 HA TRP A 71 2.570 -14.894 3.444 1.00 62.33 H new ATOM 0 HB2 TRP A 71 2.784 -14.738 1.028 1.00 42.33 H new ATOM 0 HB3 TRP A 71 1.482 -15.841 1.429 1.00 42.33 H new ATOM 0 HD1 TRP A 71 -1.074 -14.779 1.123 1.00 23.11 H new ATOM 0 HE1 TRP A 71 -1.959 -13.376 -0.837 1.00 60.43 H new ATOM 0 HE3 TRP A 71 3.308 -12.698 -0.495 1.00 25.51 H new ATOM 0 HZ2 TRP A 71 -0.879 -11.927 -3.090 1.00 32.33 H new ATOM 0 HZ3 TRP A 71 3.339 -11.247 -2.494 1.00 43.11 H new ATOM 0 HH2 TRP A 71 1.308 -11.039 -3.911 1.00 55.21 H new ATOM 1074 N TYR A 72 1.426 -11.963 3.473 1.00 31.32 N ATOM 1075 CA TYR A 72 1.563 -10.534 3.310 1.00 1.20 C ATOM 1076 C TYR A 72 1.004 -9.890 4.572 1.00 12.43 C ATOM 1077 O TYR A 72 0.022 -10.396 5.130 1.00 51.23 O ATOM 1078 CB TYR A 72 0.778 -10.133 2.053 1.00 11.42 C ATOM 1079 CG TYR A 72 0.816 -8.652 1.779 1.00 12.54 C ATOM 1080 CD1 TYR A 72 2.049 -8.046 1.494 1.00 4.03 C ATOM 1081 CD2 TYR A 72 -0.357 -7.878 1.844 1.00 21.50 C ATOM 1082 CE1 TYR A 72 2.134 -6.649 1.389 1.00 75.35 C ATOM 1083 CE2 TYR A 72 -0.286 -6.489 1.653 1.00 32.50 C ATOM 1084 CZ TYR A 72 0.964 -5.866 1.461 1.00 4.02 C ATOM 1085 OH TYR A 72 1.046 -4.519 1.296 1.00 33.31 O ATOM 0 H TYR A 72 0.607 -12.229 4.019 1.00 31.32 H new ATOM 0 HA TYR A 72 2.596 -10.210 3.180 1.00 1.20 H new ATOM 0 HB2 TYR A 72 1.184 -10.666 1.193 1.00 11.42 H new ATOM 0 HB3 TYR A 72 -0.259 -10.449 2.163 1.00 11.42 H new ATOM 0 HD1 TYR A 72 2.931 -8.654 1.356 1.00 4.03 H new ATOM 0 HD2 TYR A 72 -1.308 -8.350 2.040 1.00 21.50 H new ATOM 0 HE1 TYR A 72 3.095 -6.174 1.253 1.00 75.35 H new ATOM 0 HE2 TYR A 72 -1.190 -5.897 1.653 1.00 32.50 H new ATOM 0 HH TYR A 72 0.986 -4.302 0.342 1.00 33.31 H new ATOM 1095 N LEU A 73 1.642 -8.823 5.054 1.00 2.21 N ATOM 1096 CA LEU A 73 1.295 -8.185 6.317 1.00 60.52 C ATOM 1097 C LEU A 73 1.421 -6.675 6.153 1.00 54.03 C ATOM 1098 O LEU A 73 2.531 -6.173 5.953 1.00 12.20 O ATOM 1099 CB LEU A 73 2.188 -8.719 7.464 1.00 41.13 C ATOM 1100 CG LEU A 73 1.402 -9.293 8.661 1.00 51.44 C ATOM 1101 CD1 LEU A 73 2.376 -9.683 9.777 1.00 52.11 C ATOM 1102 CD2 LEU A 73 0.370 -8.318 9.235 1.00 11.02 C ATOM 0 H LEU A 73 2.421 -8.376 4.571 1.00 2.21 H new ATOM 0 HA LEU A 73 0.266 -8.424 6.585 1.00 60.52 H new ATOM 0 HB2 LEU A 73 2.843 -9.495 7.068 1.00 41.13 H new ATOM 0 HB3 LEU A 73 2.828 -7.911 7.818 1.00 41.13 H new ATOM 0 HG LEU A 73 0.860 -10.160 8.284 1.00 51.44 H new ATOM 0 HD11 LEU A 73 1.818 -10.088 10.621 1.00 52.11 H new ATOM 0 HD12 LEU A 73 3.071 -10.436 9.406 1.00 52.11 H new ATOM 0 HD13 LEU A 73 2.932 -8.803 10.099 1.00 52.11 H new ATOM 0 HD21 LEU A 73 -0.146 -8.786 10.073 1.00 11.02 H new ATOM 0 HD22 LEU A 73 0.874 -7.415 9.578 1.00 11.02 H new ATOM 0 HD23 LEU A 73 -0.354 -8.058 8.463 1.00 11.02 H new ATOM 1114 N VAL A 74 0.299 -5.958 6.222 1.00 51.13 N ATOM 1115 CA VAL A 74 0.252 -4.497 6.249 1.00 12.11 C ATOM 1116 C VAL A 74 0.195 -4.067 7.710 1.00 44.05 C ATOM 1117 O VAL A 74 -0.586 -4.640 8.473 1.00 31.45 O ATOM 1118 CB VAL A 74 -1.001 -3.971 5.511 1.00 71.45 C ATOM 1119 CG1 VAL A 74 -0.939 -2.444 5.377 1.00 23.30 C ATOM 1120 CG2 VAL A 74 -1.132 -4.567 4.107 1.00 51.32 C ATOM 0 H VAL A 74 -0.625 -6.388 6.262 1.00 51.13 H new ATOM 0 HA VAL A 74 1.132 -4.090 5.750 1.00 12.11 H new ATOM 0 HB VAL A 74 -1.864 -4.271 6.106 1.00 71.45 H new ATOM 0 HG11 VAL A 74 -1.828 -2.088 4.856 1.00 23.30 H new ATOM 0 HG12 VAL A 74 -0.895 -1.993 6.368 1.00 23.30 H new ATOM 0 HG13 VAL A 74 -0.050 -2.164 4.812 1.00 23.30 H new ATOM 0 HG21 VAL A 74 -2.026 -4.170 3.625 1.00 51.32 H new ATOM 0 HG22 VAL A 74 -0.254 -4.304 3.517 1.00 51.32 H new ATOM 0 HG23 VAL A 74 -1.210 -5.652 4.178 1.00 51.32 H new ATOM 1130 N LYS A 75 0.967 -3.047 8.096 1.00 2.24 N ATOM 1131 CA LYS A 75 0.868 -2.406 9.402 1.00 42.34 C ATOM 1132 C LYS A 75 0.908 -0.900 9.198 1.00 3.41 C ATOM 1133 O LYS A 75 1.937 -0.350 8.809 1.00 4.40 O ATOM 1134 CB LYS A 75 1.990 -2.903 10.328 1.00 3.04 C ATOM 1135 CG LYS A 75 1.539 -4.222 10.964 1.00 20.11 C ATOM 1136 CD LYS A 75 2.557 -4.898 11.877 1.00 63.24 C ATOM 1137 CE LYS A 75 3.682 -5.611 11.111 1.00 13.54 C ATOM 1138 NZ LYS A 75 4.463 -6.472 12.027 1.00 71.43 N ATOM 0 H LYS A 75 1.687 -2.641 7.499 1.00 2.24 H new ATOM 0 HA LYS A 75 -0.072 -2.666 9.889 1.00 42.34 H new ATOM 0 HB2 LYS A 75 2.911 -3.049 9.764 1.00 3.04 H new ATOM 0 HB3 LYS A 75 2.202 -2.162 11.099 1.00 3.04 H new ATOM 0 HG2 LYS A 75 0.631 -4.036 11.538 1.00 20.11 H new ATOM 0 HG3 LYS A 75 1.275 -4.917 10.167 1.00 20.11 H new ATOM 0 HD2 LYS A 75 2.995 -4.150 12.538 1.00 63.24 H new ATOM 0 HD3 LYS A 75 2.043 -5.621 12.510 1.00 63.24 H new ATOM 0 HE2 LYS A 75 3.259 -6.214 10.307 1.00 13.54 H new ATOM 0 HE3 LYS A 75 4.338 -4.875 10.646 1.00 13.54 H new ATOM 0 HZ1 LYS A 75 5.220 -6.948 11.495 1.00 71.43 H new ATOM 0 HZ2 LYS A 75 4.882 -5.889 12.779 1.00 71.43 H new ATOM 0 HZ3 LYS A 75 3.837 -7.186 12.451 1.00 71.43 H new ATOM 1152 N ILE A 76 -0.226 -0.251 9.423 1.00 2.20 N ATOM 1153 CA ILE A 76 -0.308 1.184 9.625 1.00 15.32 C ATOM 1154 C ILE A 76 0.067 1.381 11.088 1.00 43.51 C ATOM 1155 O ILE A 76 -0.692 1.059 12.008 1.00 13.43 O ATOM 1156 CB ILE A 76 -1.698 1.743 9.248 1.00 65.31 C ATOM 1157 CG1 ILE A 76 -1.908 1.577 7.728 1.00 64.55 C ATOM 1158 CG2 ILE A 76 -1.823 3.226 9.639 1.00 0.00 C ATOM 1159 CD1 ILE A 76 -3.302 1.958 7.232 1.00 2.45 C ATOM 0 H ILE A 76 -1.131 -0.719 9.471 1.00 2.20 H new ATOM 0 HA ILE A 76 0.364 1.744 8.975 1.00 15.32 H new ATOM 0 HB ILE A 76 -2.462 1.189 9.793 1.00 65.31 H new ATOM 0 HG12 ILE A 76 -1.171 2.186 7.204 1.00 64.55 H new ATOM 0 HG13 ILE A 76 -1.712 0.539 7.459 1.00 64.55 H new ATOM 0 HG21 ILE A 76 -2.811 3.593 9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.685 3.331 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.061 3.805 9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.358 1.810 6.154 1.00 2.45 H new ATOM 0 HD12 ILE A 76 -4.047 1.332 7.723 1.00 2.45 H new ATOM 0 HD13 ILE A 76 -3.498 3.005 7.465 1.00 2.45 H new ATOM 1171 N GLU A 77 1.286 1.855 11.289 1.00 64.35 N ATOM 1172 CA GLU A 77 1.813 2.333 12.545 1.00 64.44 C ATOM 1173 C GLU A 77 2.136 3.787 12.283 1.00 4.43 C ATOM 1174 O GLU A 77 2.965 4.080 11.414 1.00 33.44 O ATOM 1175 CB GLU A 77 3.072 1.548 12.912 1.00 51.42 C ATOM 1176 CG GLU A 77 2.760 0.123 13.387 1.00 12.03 C ATOM 1177 CD GLU A 77 3.066 -0.024 14.876 1.00 0.33 C ATOM 1178 OE1 GLU A 77 2.485 0.721 15.698 1.00 1.41 O ATOM 1179 OE2 GLU A 77 3.930 -0.868 15.209 1.00 31.41 O ATOM 0 H GLU A 77 1.968 1.918 10.533 1.00 64.35 H new ATOM 0 HA GLU A 77 1.118 2.212 13.376 1.00 64.44 H new ATOM 0 HB2 GLU A 77 3.733 1.502 12.046 1.00 51.42 H new ATOM 0 HB3 GLU A 77 3.611 2.079 13.697 1.00 51.42 H new ATOM 0 HG2 GLU A 77 1.711 -0.107 13.201 1.00 12.03 H new ATOM 0 HG3 GLU A 77 3.350 -0.594 12.816 1.00 12.03 H new ATOM 1186 N ASP A 78 1.456 4.698 12.976 1.00 23.34 N ATOM 1187 CA ASP A 78 1.715 6.127 12.870 1.00 53.44 C ATOM 1188 C ASP A 78 1.537 6.583 11.418 1.00 13.44 C ATOM 1189 O ASP A 78 0.746 6.006 10.666 1.00 11.15 O ATOM 1190 CB ASP A 78 3.080 6.464 13.498 1.00 21.22 C ATOM 1191 CG ASP A 78 3.043 6.319 15.011 1.00 14.45 C ATOM 1192 OD1 ASP A 78 3.213 5.199 15.536 1.00 24.11 O ATOM 1193 OD2 ASP A 78 2.916 7.403 15.640 1.00 62.41 O ATOM 0 H ASP A 78 0.708 4.462 13.628 1.00 23.34 H new ATOM 0 HA ASP A 78 0.986 6.699 13.444 1.00 53.44 H new ATOM 0 HB2 ASP A 78 3.845 5.806 13.086 1.00 21.22 H new ATOM 0 HB3 ASP A 78 3.362 7.484 13.235 1.00 21.22 H new ATOM 1198 N ASN A 79 2.209 7.660 11.022 1.00 44.34 N ATOM 1199 CA ASN A 79 2.352 8.075 9.632 1.00 55.52 C ATOM 1200 C ASN A 79 3.372 7.246 8.844 1.00 15.22 C ATOM 1201 O ASN A 79 3.637 7.591 7.692 1.00 42.04 O ATOM 1202 CB ASN A 79 2.760 9.552 9.569 1.00 51.21 C ATOM 1203 CG ASN A 79 4.109 9.830 10.221 1.00 31.14 C ATOM 1204 OD1 ASN A 79 4.267 9.626 11.417 1.00 21.33 O ATOM 1205 ND2 ASN A 79 5.073 10.375 9.509 1.00 64.13 N ATOM 0 H ASN A 79 2.681 8.284 11.677 1.00 44.34 H new ATOM 0 HA ASN A 79 1.379 7.915 9.167 1.00 55.52 H new ATOM 0 HB2 ASN A 79 2.795 9.868 8.527 1.00 51.21 H new ATOM 0 HB3 ASN A 79 1.996 10.155 10.059 1.00 51.21 H new ATOM 0 HD21 ASN A 79 5.955 10.629 9.954 1.00 64.13 H new ATOM 0 HD22 ASN A 79 4.938 10.544 8.512 1.00 64.13 H new ATOM 1212 N GLU A 80 3.977 6.208 9.424 1.00 33.30 N ATOM 1213 CA GLU A 80 5.057 5.449 8.806 1.00 62.21 C ATOM 1214 C GLU A 80 4.556 4.057 8.431 1.00 11.33 C ATOM 1215 O GLU A 80 4.784 3.084 9.142 1.00 44.21 O ATOM 1216 CB GLU A 80 6.296 5.429 9.719 1.00 41.42 C ATOM 1217 CG GLU A 80 7.013 6.787 9.764 1.00 55.55 C ATOM 1218 CD GLU A 80 8.457 6.652 10.255 1.00 42.15 C ATOM 1219 OE1 GLU A 80 8.678 6.381 11.463 1.00 43.05 O ATOM 1220 OE2 GLU A 80 9.382 6.784 9.422 1.00 33.23 O ATOM 0 H GLU A 80 3.723 5.868 10.352 1.00 33.30 H new ATOM 0 HA GLU A 80 5.373 5.933 7.882 1.00 62.21 H new ATOM 0 HB2 GLU A 80 5.996 5.146 10.728 1.00 41.42 H new ATOM 0 HB3 GLU A 80 6.991 4.666 9.367 1.00 41.42 H new ATOM 0 HG2 GLU A 80 7.007 7.234 8.770 1.00 55.55 H new ATOM 0 HG3 GLU A 80 6.468 7.464 10.421 1.00 55.55 H new ATOM 1227 N LEU A 81 3.843 3.965 7.310 1.00 3.11 N ATOM 1228 CA LEU A 81 3.238 2.725 6.836 1.00 4.04 C ATOM 1229 C LEU A 81 4.345 1.782 6.405 1.00 63.33 C ATOM 1230 O LEU A 81 5.271 2.176 5.694 1.00 65.44 O ATOM 1231 CB LEU A 81 2.245 3.063 5.716 1.00 14.51 C ATOM 1232 CG LEU A 81 1.558 1.919 4.946 1.00 13.02 C ATOM 1233 CD1 LEU A 81 2.382 1.435 3.752 1.00 71.33 C ATOM 1234 CD2 LEU A 81 1.096 0.734 5.797 1.00 32.20 C ATOM 0 H LEU A 81 3.668 4.762 6.698 1.00 3.11 H new ATOM 0 HA LEU A 81 2.674 2.216 7.618 1.00 4.04 H new ATOM 0 HB2 LEU A 81 1.461 3.683 6.150 1.00 14.51 H new ATOM 0 HB3 LEU A 81 2.771 3.679 4.987 1.00 14.51 H new ATOM 0 HG LEU A 81 0.644 2.385 4.578 1.00 13.02 H new ATOM 0 HD11 LEU A 81 1.851 0.629 3.246 1.00 71.33 H new ATOM 0 HD12 LEU A 81 2.535 2.261 3.057 1.00 71.33 H new ATOM 0 HD13 LEU A 81 3.348 1.070 4.101 1.00 71.33 H new ATOM 0 HD21 LEU A 81 0.627 -0.013 5.157 1.00 32.20 H new ATOM 0 HD22 LEU A 81 1.955 0.291 6.301 1.00 32.20 H new ATOM 0 HD23 LEU A 81 0.377 1.078 6.540 1.00 32.20 H new ATOM 1246 N LYS A 82 4.264 0.527 6.829 1.00 23.14 N ATOM 1247 CA LYS A 82 5.217 -0.505 6.478 1.00 40.24 C ATOM 1248 C LYS A 82 4.488 -1.768 6.067 1.00 44.13 C ATOM 1249 O LYS A 82 3.385 -2.039 6.549 1.00 41.21 O ATOM 1250 CB LYS A 82 6.255 -0.704 7.556 1.00 45.51 C ATOM 1251 CG LYS A 82 5.718 -1.226 8.875 1.00 45.24 C ATOM 1252 CD LYS A 82 5.070 -0.214 9.843 1.00 53.34 C ATOM 1253 CE LYS A 82 6.014 0.864 10.389 1.00 52.31 C ATOM 1254 NZ LYS A 82 6.912 0.393 11.457 1.00 15.42 N ATOM 0 H LYS A 82 3.516 0.197 7.439 1.00 23.14 H new ATOM 0 HA LYS A 82 5.790 -0.184 5.608 1.00 40.24 H new ATOM 0 HB2 LYS A 82 7.010 -1.398 7.188 1.00 45.51 H new ATOM 0 HB3 LYS A 82 6.757 0.247 7.736 1.00 45.51 H new ATOM 0 HG2 LYS A 82 4.980 -1.997 8.654 1.00 45.24 H new ATOM 0 HG3 LYS A 82 6.539 -1.713 9.401 1.00 45.24 H new ATOM 0 HD2 LYS A 82 4.243 0.276 9.330 1.00 53.34 H new ATOM 0 HD3 LYS A 82 4.644 -0.761 10.684 1.00 53.34 H new ATOM 0 HE2 LYS A 82 6.616 1.254 9.568 1.00 52.31 H new ATOM 0 HE3 LYS A 82 5.419 1.694 10.770 1.00 52.31 H new ATOM 0 HZ1 LYS A 82 7.517 1.178 11.773 1.00 15.42 H new ATOM 0 HZ2 LYS A 82 6.347 0.047 12.259 1.00 15.42 H new ATOM 0 HZ3 LYS A 82 7.507 -0.379 11.095 1.00 15.42 H new ATOM 1268 N VAL A 83 5.115 -2.546 5.190 1.00 31.33 N ATOM 1269 CA VAL A 83 4.597 -3.839 4.773 1.00 14.44 C ATOM 1270 C VAL A 83 5.751 -4.822 4.793 1.00 34.33 C ATOM 1271 O VAL A 83 6.905 -4.423 4.577 1.00 0.00 O ATOM 1272 CB VAL A 83 3.882 -3.777 3.398 1.00 0.20 C ATOM 1273 CG1 VAL A 83 2.891 -2.605 3.311 1.00 63.32 C ATOM 1274 CG2 VAL A 83 4.849 -3.679 2.200 1.00 13.04 C ATOM 0 H VAL A 83 5.999 -2.294 4.749 1.00 31.33 H new ATOM 0 HA VAL A 83 3.823 -4.170 5.465 1.00 14.44 H new ATOM 0 HB VAL A 83 3.348 -4.725 3.334 1.00 0.20 H new ATOM 0 HG11 VAL A 83 2.415 -2.603 2.330 1.00 63.32 H new ATOM 0 HG12 VAL A 83 2.130 -2.714 4.083 1.00 63.32 H new ATOM 0 HG13 VAL A 83 3.424 -1.666 3.457 1.00 63.32 H new ATOM 0 HG21 VAL A 83 4.277 -3.640 1.273 1.00 13.04 H new ATOM 0 HG22 VAL A 83 5.453 -2.776 2.293 1.00 13.04 H new ATOM 0 HG23 VAL A 83 5.502 -4.552 2.187 1.00 13.04 H new ATOM 1284 N ILE A 84 5.444 -6.095 5.028 1.00 55.01 N ATOM 1285 CA ILE A 84 6.377 -7.198 4.854 1.00 12.22 C ATOM 1286 C ILE A 84 5.676 -8.229 3.967 1.00 0.50 C ATOM 1287 O ILE A 84 4.475 -8.471 4.104 1.00 11.25 O ATOM 1288 CB ILE A 84 6.824 -7.724 6.237 1.00 34.11 C ATOM 1289 CG1 ILE A 84 7.685 -6.661 6.961 1.00 24.41 C ATOM 1290 CG2 ILE A 84 7.640 -9.022 6.107 1.00 3.25 C ATOM 1291 CD1 ILE A 84 7.731 -6.824 8.477 1.00 60.11 C ATOM 0 H ILE A 84 4.523 -6.391 5.350 1.00 55.01 H new ATOM 0 HA ILE A 84 7.302 -6.905 4.358 1.00 12.22 H new ATOM 0 HB ILE A 84 5.923 -7.931 6.815 1.00 34.11 H new ATOM 0 HG12 ILE A 84 8.702 -6.705 6.571 1.00 24.41 H new ATOM 0 HG13 ILE A 84 7.295 -5.671 6.724 1.00 24.41 H new ATOM 0 HG21 ILE A 84 7.939 -9.365 7.098 1.00 3.25 H new ATOM 0 HG22 ILE A 84 7.031 -9.788 5.626 1.00 3.25 H new ATOM 0 HG23 ILE A 84 8.529 -8.834 5.505 1.00 3.25 H new ATOM 0 HD11 ILE A 84 8.354 -6.041 8.908 1.00 60.11 H new ATOM 0 HD12 ILE A 84 6.722 -6.749 8.882 1.00 60.11 H new ATOM 0 HD13 ILE A 84 8.150 -7.799 8.726 1.00 60.11 H new ATOM 1303 N ILE A 85 6.438 -8.808 3.040 1.00 32.22 N ATOM 1304 CA ILE A 85 5.976 -9.772 2.043 1.00 13.03 C ATOM 1305 C ILE A 85 6.854 -11.014 2.198 1.00 71.21 C ATOM 1306 O ILE A 85 8.072 -10.860 2.269 1.00 32.42 O ATOM 1307 CB ILE A 85 6.090 -9.174 0.617 1.00 43.53 C ATOM 1308 CG1 ILE A 85 5.698 -7.678 0.578 1.00 53.12 C ATOM 1309 CG2 ILE A 85 5.255 -10.039 -0.348 1.00 53.13 C ATOM 1310 CD1 ILE A 85 5.642 -7.048 -0.809 1.00 1.30 C ATOM 0 H ILE A 85 7.435 -8.610 2.960 1.00 32.22 H new ATOM 0 HA ILE A 85 4.926 -10.026 2.191 1.00 13.03 H new ATOM 0 HB ILE A 85 7.131 -9.198 0.295 1.00 43.53 H new ATOM 0 HG12 ILE A 85 4.722 -7.564 1.049 1.00 53.12 H new ATOM 0 HG13 ILE A 85 6.411 -7.118 1.183 1.00 53.12 H new ATOM 0 HG21 ILE A 85 5.325 -9.631 -1.356 1.00 53.13 H new ATOM 0 HG22 ILE A 85 5.636 -11.060 -0.343 1.00 53.13 H new ATOM 0 HG23 ILE A 85 4.213 -10.038 -0.028 1.00 53.13 H new ATOM 0 HD11 ILE A 85 5.358 -5.999 -0.721 1.00 1.30 H new ATOM 0 HD12 ILE A 85 6.622 -7.120 -1.281 1.00 1.30 H new ATOM 0 HD13 ILE A 85 4.906 -7.573 -1.418 1.00 1.30 H new ATOM 1322 N ASN A 86 6.250 -12.205 2.273 1.00 25.23 N ATOM 1323 CA ASN A 86 6.976 -13.470 2.407 1.00 3.01 C ATOM 1324 C ASN A 86 7.406 -13.995 1.042 1.00 40.35 C ATOM 1325 O ASN A 86 6.992 -13.494 -0.006 1.00 20.32 O ATOM 1326 CB ASN A 86 6.138 -14.532 3.153 1.00 15.03 C ATOM 1327 CG ASN A 86 6.185 -14.336 4.660 1.00 51.14 C ATOM 1328 OD1 ASN A 86 6.796 -15.115 5.388 1.00 24.35 O ATOM 1329 ND2 ASN A 86 5.574 -13.274 5.152 1.00 2.52 N ATOM 0 H ASN A 86 5.237 -12.318 2.242 1.00 25.23 H new ATOM 0 HA ASN A 86 7.868 -13.272 3.002 1.00 3.01 H new ATOM 0 HB2 ASN A 86 5.104 -14.483 2.813 1.00 15.03 H new ATOM 0 HB3 ASN A 86 6.508 -15.527 2.905 1.00 15.03 H new ATOM 0 HD21 ASN A 86 5.604 -13.087 6.154 1.00 2.52 H new ATOM 0 HD22 ASN A 86 5.072 -12.640 4.530 1.00 2.52 H new ATOM 1336 N ARG A 87 8.228 -15.044 1.075 1.00 31.42 N ATOM 1337 CA ARG A 87 8.681 -15.789 -0.080 1.00 74.13 C ATOM 1338 C ARG A 87 7.502 -16.538 -0.698 1.00 14.00 C ATOM 1339 O ARG A 87 6.648 -17.076 0.017 1.00 44.34 O ATOM 1340 CB ARG A 87 9.863 -16.672 0.371 1.00 1.11 C ATOM 1341 CG ARG A 87 10.304 -17.782 -0.591 1.00 11.35 C ATOM 1342 CD ARG A 87 9.476 -19.072 -0.456 1.00 21.20 C ATOM 1343 NE ARG A 87 10.297 -20.289 -0.341 1.00 51.34 N ATOM 1344 CZ ARG A 87 11.204 -20.610 0.588 1.00 72.34 C ATOM 1345 NH1 ARG A 87 11.395 -19.837 1.648 1.00 41.42 N ATOM 1346 NH2 ARG A 87 11.918 -21.720 0.452 1.00 22.24 N ATOM 0 H ARG A 87 8.608 -15.406 1.950 1.00 31.42 H new ATOM 0 HA ARG A 87 9.053 -15.150 -0.880 1.00 74.13 H new ATOM 0 HB2 ARG A 87 10.719 -16.024 0.557 1.00 1.11 H new ATOM 0 HB3 ARG A 87 9.599 -17.133 1.323 1.00 1.11 H new ATOM 0 HG2 ARG A 87 10.229 -17.416 -1.615 1.00 11.35 H new ATOM 0 HG3 ARG A 87 11.354 -18.013 -0.411 1.00 11.35 H new ATOM 0 HD2 ARG A 87 8.834 -18.992 0.422 1.00 21.20 H new ATOM 0 HD3 ARG A 87 8.821 -19.166 -1.322 1.00 21.20 H new ATOM 0 HE ARG A 87 10.154 -20.985 -1.073 1.00 51.34 H new ATOM 0 HH11 ARG A 87 10.847 -18.985 1.763 1.00 41.42 H new ATOM 0 HH12 ARG A 87 12.090 -20.095 2.348 1.00 41.42 H new ATOM 0 HH21 ARG A 87 11.774 -22.323 -0.358 1.00 22.24 H new ATOM 0 HH22 ARG A 87 12.611 -21.970 1.157 1.00 22.24 H new ATOM 1360 N ASN A 88 7.482 -16.611 -2.022 1.00 24.15 N ATOM 1361 CA ASN A 88 6.488 -17.296 -2.822 1.00 11.10 C ATOM 1362 C ASN A 88 7.022 -18.684 -3.153 1.00 42.42 C ATOM 1363 O ASN A 88 7.999 -18.799 -3.880 1.00 23.25 O ATOM 1364 CB ASN A 88 6.230 -16.494 -4.107 1.00 21.52 C ATOM 1365 CG ASN A 88 5.218 -17.168 -5.016 1.00 11.23 C ATOM 1366 OD1 ASN A 88 4.499 -18.089 -4.621 1.00 31.24 O ATOM 1367 ND2 ASN A 88 5.134 -16.702 -6.246 1.00 23.12 N ATOM 0 H ASN A 88 8.201 -16.168 -2.594 1.00 24.15 H new ATOM 0 HA ASN A 88 5.547 -17.387 -2.279 1.00 11.10 H new ATOM 0 HB2 ASN A 88 5.873 -15.498 -3.845 1.00 21.52 H new ATOM 0 HB3 ASN A 88 7.169 -16.364 -4.646 1.00 21.52 H new ATOM 0 HD21 ASN A 88 4.461 -17.104 -6.899 1.00 23.12 H new ATOM 0 HD22 ASN A 88 5.742 -15.939 -6.545 1.00 23.12 H new ATOM 1374 N GLU A 89 6.428 -19.738 -2.602 1.00 44.31 N ATOM 1375 CA GLU A 89 6.853 -21.134 -2.777 1.00 3.02 C ATOM 1376 C GLU A 89 6.267 -21.749 -4.068 1.00 3.32 C ATOM 1377 O GLU A 89 6.081 -22.970 -4.135 1.00 53.21 O ATOM 1378 CB GLU A 89 6.488 -21.955 -1.510 1.00 3.31 C ATOM 1379 CG GLU A 89 4.999 -21.787 -1.174 1.00 64.24 C ATOM 1380 CD GLU A 89 4.373 -22.697 -0.115 1.00 25.35 C ATOM 1381 OE1 GLU A 89 4.920 -23.742 0.294 1.00 31.52 O ATOM 1382 OE2 GLU A 89 3.231 -22.355 0.275 1.00 60.12 O ATOM 0 H GLU A 89 5.610 -19.647 -2.000 1.00 44.31 H new ATOM 0 HA GLU A 89 7.936 -21.162 -2.896 1.00 3.02 H new ATOM 0 HB2 GLU A 89 6.714 -23.009 -1.674 1.00 3.31 H new ATOM 0 HB3 GLU A 89 7.097 -21.626 -0.668 1.00 3.31 H new ATOM 0 HG2 GLU A 89 4.848 -20.756 -0.854 1.00 64.24 H new ATOM 0 HG3 GLU A 89 4.436 -21.920 -2.098 1.00 64.24 H new ATOM 1389 N THR A 90 5.896 -20.942 -5.076 1.00 20.54 N ATOM 1390 CA THR A 90 5.236 -21.456 -6.274 1.00 43.55 C ATOM 1391 C THR A 90 5.752 -20.831 -7.575 1.00 21.40 C ATOM 1392 O THR A 90 6.305 -19.732 -7.590 1.00 44.34 O ATOM 1393 CB THR A 90 3.710 -21.311 -6.161 1.00 73.32 C ATOM 1394 OG1 THR A 90 3.286 -19.960 -6.134 1.00 24.20 O ATOM 1395 CG2 THR A 90 3.079 -22.028 -4.969 1.00 34.12 C ATOM 0 H THR A 90 6.045 -19.933 -5.079 1.00 20.54 H new ATOM 0 HA THR A 90 5.490 -22.515 -6.329 1.00 43.55 H new ATOM 0 HB THR A 90 3.359 -21.800 -7.070 1.00 73.32 H new ATOM 0 HG1 THR A 90 3.922 -19.428 -5.612 1.00 24.20 H new ATOM 0 HG21 THR A 90 2.001 -21.866 -4.976 1.00 34.12 H new ATOM 0 HG22 THR A 90 3.286 -23.096 -5.035 1.00 34.12 H new ATOM 0 HG23 THR A 90 3.499 -21.634 -4.043 1.00 34.12 H new ATOM 1403 N ASN A 91 5.507 -21.544 -8.676 1.00 32.12 N ATOM 1404 CA ASN A 91 5.857 -21.211 -10.057 1.00 13.44 C ATOM 1405 C ASN A 91 5.008 -20.101 -10.694 1.00 55.32 C ATOM 1406 O ASN A 91 5.199 -19.819 -11.876 1.00 3.24 O ATOM 1407 CB ASN A 91 5.801 -22.464 -10.933 1.00 15.23 C ATOM 1408 CG ASN A 91 4.369 -22.857 -11.233 1.00 41.45 C ATOM 1409 OD1 ASN A 91 3.777 -22.448 -12.223 1.00 52.31 O ATOM 1410 ND2 ASN A 91 3.756 -23.575 -10.316 1.00 23.15 N ATOM 0 H ASN A 91 5.021 -22.439 -8.620 1.00 32.12 H new ATOM 0 HA ASN A 91 6.871 -20.815 -10.004 1.00 13.44 H new ATOM 0 HB2 ASN A 91 6.335 -22.283 -11.866 1.00 15.23 H new ATOM 0 HB3 ASN A 91 6.309 -23.286 -10.429 1.00 15.23 H new ATOM 0 HD21 ASN A 91 2.767 -23.801 -10.422 1.00 23.15 H new ATOM 0 HD22 ASN A 91 4.270 -23.905 -9.499 1.00 23.15 H new ATOM 1417 N ALA A 92 4.087 -19.467 -9.964 1.00 72.14 N ATOM 1418 CA ALA A 92 3.204 -18.433 -10.501 1.00 61.23 C ATOM 1419 C ALA A 92 3.558 -17.104 -9.853 1.00 5.33 C ATOM 1420 O ALA A 92 3.638 -17.015 -8.626 1.00 53.13 O ATOM 1421 CB ALA A 92 1.734 -18.777 -10.243 1.00 25.23 C ATOM 0 H ALA A 92 3.933 -19.660 -8.974 1.00 72.14 H new ATOM 0 HA ALA A 92 3.342 -18.368 -11.580 1.00 61.23 H new ATOM 0 HB1 ALA A 92 1.099 -17.991 -10.653 1.00 25.23 H new ATOM 0 HB2 ALA A 92 1.493 -19.726 -10.723 1.00 25.23 H new ATOM 0 HB3 ALA A 92 1.563 -18.859 -9.170 1.00 25.23 H new ATOM 1427 N SER A 93 3.765 -16.077 -10.671 1.00 42.41 N ATOM 1428 CA SER A 93 3.842 -14.702 -10.222 1.00 5.02 C ATOM 1429 C SER A 93 2.438 -14.274 -9.786 1.00 35.24 C ATOM 1430 O SER A 93 1.468 -14.613 -10.473 1.00 13.34 O ATOM 1431 CB SER A 93 4.438 -13.834 -11.345 1.00 42.03 C ATOM 1432 OG SER A 93 4.328 -14.386 -12.655 1.00 21.51 O ATOM 0 H SER A 93 3.885 -16.184 -11.678 1.00 42.41 H new ATOM 0 HA SER A 93 4.504 -14.582 -9.365 1.00 5.02 H new ATOM 0 HB2 SER A 93 3.944 -12.862 -11.334 1.00 42.03 H new ATOM 0 HB3 SER A 93 5.492 -13.659 -11.128 1.00 42.03 H new ATOM 0 HG SER A 93 4.729 -13.771 -13.304 1.00 21.51 H new ATOM 1438 N ARG A 94 2.305 -13.574 -8.652 1.00 42.03 N ATOM 1439 CA ARG A 94 1.031 -13.102 -8.096 1.00 13.03 C ATOM 1440 C ARG A 94 1.117 -11.597 -7.860 1.00 25.21 C ATOM 1441 O ARG A 94 2.181 -11.005 -8.006 1.00 23.13 O ATOM 1442 CB ARG A 94 0.625 -13.894 -6.826 1.00 54.02 C ATOM 1443 CG ARG A 94 1.655 -13.967 -5.684 1.00 72.35 C ATOM 1444 CD ARG A 94 1.208 -14.937 -4.569 1.00 14.13 C ATOM 1445 NE ARG A 94 -0.208 -14.765 -4.170 1.00 43.12 N ATOM 1446 CZ ARG A 94 -0.867 -15.473 -3.242 1.00 62.42 C ATOM 1447 NH1 ARG A 94 -0.247 -16.430 -2.555 1.00 75.45 N ATOM 1448 NH2 ARG A 94 -2.153 -15.210 -3.005 1.00 12.03 N ATOM 0 H ARG A 94 3.107 -13.312 -8.078 1.00 42.03 H new ATOM 0 HA ARG A 94 0.232 -13.288 -8.814 1.00 13.03 H new ATOM 0 HB2 ARG A 94 -0.289 -13.451 -6.429 1.00 54.02 H new ATOM 0 HB3 ARG A 94 0.381 -14.913 -7.127 1.00 54.02 H new ATOM 0 HG2 ARG A 94 2.617 -14.290 -6.082 1.00 72.35 H new ATOM 0 HG3 ARG A 94 1.802 -12.972 -5.263 1.00 72.35 H new ATOM 0 HD2 ARG A 94 1.360 -15.962 -4.907 1.00 14.13 H new ATOM 0 HD3 ARG A 94 1.844 -14.792 -3.696 1.00 14.13 H new ATOM 0 HE ARG A 94 -0.734 -14.035 -4.649 1.00 43.12 H new ATOM 0 HH11 ARG A 94 0.737 -16.629 -2.733 1.00 75.45 H new ATOM 0 HH12 ARG A 94 -0.756 -16.964 -1.851 1.00 75.45 H new ATOM 0 HH21 ARG A 94 -2.628 -14.475 -3.528 1.00 12.03 H new ATOM 0 HH22 ARG A 94 -2.661 -15.744 -2.300 1.00 12.03 H new ATOM 1462 N SER A 95 0.015 -10.958 -7.491 1.00 53.21 N ATOM 1463 CA SER A 95 -0.010 -9.542 -7.167 1.00 2.33 C ATOM 1464 C SER A 95 -0.999 -9.330 -6.037 1.00 74.43 C ATOM 1465 O SER A 95 -1.864 -10.171 -5.770 1.00 31.30 O ATOM 1466 CB SER A 95 -0.344 -8.738 -8.435 1.00 74.15 C ATOM 1467 OG SER A 95 -0.787 -7.407 -8.238 1.00 62.43 O ATOM 0 H SER A 95 -0.894 -11.414 -7.408 1.00 53.21 H new ATOM 0 HA SER A 95 0.961 -9.186 -6.823 1.00 2.33 H new ATOM 0 HB2 SER A 95 0.544 -8.713 -9.067 1.00 74.15 H new ATOM 0 HB3 SER A 95 -1.114 -9.276 -8.988 1.00 74.15 H new ATOM 0 HG SER A 95 -0.022 -6.838 -8.010 1.00 62.43 H new ATOM 1473 N PHE A 96 -0.869 -8.169 -5.414 1.00 34.44 N ATOM 1474 CA PHE A 96 -1.889 -7.553 -4.599 1.00 52.05 C ATOM 1475 C PHE A 96 -1.879 -6.056 -4.918 1.00 74.52 C ATOM 1476 O PHE A 96 -0.911 -5.532 -5.478 1.00 15.05 O ATOM 1477 CB PHE A 96 -1.637 -7.853 -3.110 1.00 55.42 C ATOM 1478 CG PHE A 96 -0.337 -7.314 -2.565 1.00 72.44 C ATOM 1479 CD1 PHE A 96 -0.258 -5.985 -2.128 1.00 1.13 C ATOM 1480 CD2 PHE A 96 0.793 -8.140 -2.491 1.00 12.44 C ATOM 1481 CE1 PHE A 96 0.957 -5.481 -1.650 1.00 43.54 C ATOM 1482 CE2 PHE A 96 2.012 -7.640 -2.012 1.00 34.20 C ATOM 1483 CZ PHE A 96 2.099 -6.298 -1.612 1.00 32.13 C ATOM 0 H PHE A 96 -0.015 -7.614 -5.468 1.00 34.44 H new ATOM 0 HA PHE A 96 -2.878 -7.955 -4.818 1.00 52.05 H new ATOM 0 HB2 PHE A 96 -2.459 -7.438 -2.526 1.00 55.42 H new ATOM 0 HB3 PHE A 96 -1.656 -8.933 -2.964 1.00 55.42 H new ATOM 0 HD1 PHE A 96 -1.132 -5.351 -2.160 1.00 1.13 H new ATOM 0 HD2 PHE A 96 0.724 -9.171 -2.806 1.00 12.44 H new ATOM 0 HE1 PHE A 96 1.017 -4.458 -1.308 1.00 43.54 H new ATOM 0 HE2 PHE A 96 2.878 -8.283 -1.951 1.00 34.20 H new ATOM 0 HZ PHE A 96 3.042 -5.894 -1.275 1.00 32.13 H new ATOM 1493 N THR A 97 -2.921 -5.353 -4.497 1.00 52.24 N ATOM 1494 CA THR A 97 -2.940 -3.896 -4.469 1.00 40.32 C ATOM 1495 C THR A 97 -3.305 -3.515 -3.046 1.00 1.23 C ATOM 1496 O THR A 97 -4.112 -4.210 -2.419 1.00 4.21 O ATOM 1497 CB THR A 97 -3.956 -3.321 -5.473 1.00 64.14 C ATOM 1498 OG1 THR A 97 -3.842 -3.957 -6.734 1.00 13.55 O ATOM 1499 CG2 THR A 97 -3.766 -1.820 -5.680 1.00 23.10 C ATOM 0 H THR A 97 -3.784 -5.781 -4.162 1.00 52.24 H new ATOM 0 HA THR A 97 -1.972 -3.487 -4.759 1.00 40.32 H new ATOM 0 HB THR A 97 -4.942 -3.504 -5.047 1.00 64.14 H new ATOM 0 HG1 THR A 97 -4.246 -3.390 -7.424 1.00 13.55 H new ATOM 0 HG21 THR A 97 -4.503 -1.455 -6.395 1.00 23.10 H new ATOM 0 HG22 THR A 97 -3.896 -1.302 -4.730 1.00 23.10 H new ATOM 0 HG23 THR A 97 -2.763 -1.630 -6.063 1.00 23.10 H new ATOM 1507 N VAL A 98 -2.748 -2.416 -2.554 1.00 2.41 N ATOM 1508 CA VAL A 98 -3.145 -1.793 -1.305 1.00 32.21 C ATOM 1509 C VAL A 98 -3.614 -0.385 -1.642 1.00 24.34 C ATOM 1510 O VAL A 98 -2.989 0.289 -2.461 1.00 65.42 O ATOM 1511 CB VAL A 98 -1.992 -1.806 -0.284 1.00 5.33 C ATOM 1512 CG1 VAL A 98 -1.740 -3.217 0.259 1.00 71.13 C ATOM 1513 CG2 VAL A 98 -0.672 -1.275 -0.860 1.00 61.43 C ATOM 0 H VAL A 98 -1.990 -1.924 -3.026 1.00 2.41 H new ATOM 0 HA VAL A 98 -3.955 -2.346 -0.829 1.00 32.21 H new ATOM 0 HB VAL A 98 -2.315 -1.142 0.518 1.00 5.33 H new ATOM 0 HG11 VAL A 98 -0.920 -3.190 0.977 1.00 71.13 H new ATOM 0 HG12 VAL A 98 -2.641 -3.584 0.751 1.00 71.13 H new ATOM 0 HG13 VAL A 98 -1.480 -3.882 -0.564 1.00 71.13 H new ATOM 0 HG21 VAL A 98 0.100 -1.310 -0.092 1.00 61.43 H new ATOM 0 HG22 VAL A 98 -0.370 -1.892 -1.706 1.00 61.43 H new ATOM 0 HG23 VAL A 98 -0.808 -0.245 -1.191 1.00 61.43 H new ATOM 1523 N CYS A 99 -4.714 0.044 -1.031 1.00 2.51 N ATOM 1524 CA CYS A 99 -5.258 1.384 -1.160 1.00 20.31 C ATOM 1525 C CYS A 99 -5.505 1.885 0.257 1.00 74.35 C ATOM 1526 O CYS A 99 -6.233 1.230 1.013 1.00 34.54 O ATOM 1527 CB CYS A 99 -6.566 1.364 -1.959 1.00 21.21 C ATOM 1528 SG CYS A 99 -6.452 0.306 -3.435 1.00 62.22 S ATOM 0 H CYS A 99 -5.265 -0.553 -0.414 1.00 2.51 H new ATOM 0 HA CYS A 99 -4.569 2.037 -1.696 1.00 20.31 H new ATOM 0 HB2 CYS A 99 -7.375 1.008 -1.320 1.00 21.21 H new ATOM 0 HB3 CYS A 99 -6.821 2.380 -2.261 1.00 21.21 H new ATOM 0 HG CYS A 99 -7.586 0.325 -4.071 1.00 62.22 H new ATOM 1534 N VAL A 100 -4.916 3.017 0.625 1.00 3.13 N ATOM 1535 CA VAL A 100 -5.037 3.575 1.966 1.00 12.50 C ATOM 1536 C VAL A 100 -5.638 4.981 1.864 1.00 44.14 C ATOM 1537 O VAL A 100 -5.079 5.854 1.200 1.00 52.43 O ATOM 1538 CB VAL A 100 -3.723 3.453 2.767 1.00 13.14 C ATOM 1539 CG1 VAL A 100 -3.205 2.003 2.775 1.00 52.13 C ATOM 1540 CG2 VAL A 100 -2.577 4.367 2.303 1.00 31.13 C ATOM 0 H VAL A 100 -4.338 3.576 -0.002 1.00 3.13 H new ATOM 0 HA VAL A 100 -5.733 2.990 2.567 1.00 12.50 H new ATOM 0 HB VAL A 100 -4.006 3.782 3.767 1.00 13.14 H new ATOM 0 HG11 VAL A 100 -2.279 1.951 3.347 1.00 52.13 H new ATOM 0 HG12 VAL A 100 -3.951 1.353 3.232 1.00 52.13 H new ATOM 0 HG13 VAL A 100 -3.018 1.678 1.752 1.00 52.13 H new ATOM 0 HG21 VAL A 100 -1.702 4.202 2.932 1.00 31.13 H new ATOM 0 HG22 VAL A 100 -2.327 4.139 1.267 1.00 31.13 H new ATOM 0 HG23 VAL A 100 -2.888 5.409 2.381 1.00 31.13 H new ATOM 1550 N GLU A 101 -6.824 5.185 2.437 1.00 74.15 N ATOM 1551 CA GLU A 101 -7.480 6.484 2.476 1.00 41.13 C ATOM 1552 C GLU A 101 -7.142 7.188 3.791 1.00 71.52 C ATOM 1553 O GLU A 101 -7.019 6.529 4.828 1.00 73.41 O ATOM 1554 CB GLU A 101 -8.990 6.320 2.249 1.00 63.33 C ATOM 1555 CG GLU A 101 -9.731 5.633 3.391 1.00 31.12 C ATOM 1556 CD GLU A 101 -11.199 5.400 3.029 1.00 41.04 C ATOM 1557 OE1 GLU A 101 -11.925 6.399 2.817 1.00 43.22 O ATOM 1558 OE2 GLU A 101 -11.616 4.221 2.922 1.00 1.20 O ATOM 0 H GLU A 101 -7.358 4.444 2.890 1.00 74.15 H new ATOM 0 HA GLU A 101 -7.113 7.118 1.669 1.00 41.13 H new ATOM 0 HB2 GLU A 101 -9.429 7.305 2.088 1.00 63.33 H new ATOM 0 HB3 GLU A 101 -9.147 5.748 1.335 1.00 63.33 H new ATOM 0 HG2 GLU A 101 -9.253 4.680 3.619 1.00 31.12 H new ATOM 0 HG3 GLU A 101 -9.667 6.245 4.291 1.00 31.12 H new ATOM 1565 N ALA A 102 -6.997 8.517 3.740 1.00 60.53 N ATOM 1566 CA ALA A 102 -6.529 9.345 4.852 1.00 25.52 C ATOM 1567 C ALA A 102 -7.494 10.489 5.182 1.00 73.23 C ATOM 1568 O ALA A 102 -7.161 11.383 5.964 1.00 20.51 O ATOM 1569 CB ALA A 102 -5.109 9.868 4.570 1.00 25.20 C ATOM 0 H ALA A 102 -7.208 9.058 2.902 1.00 60.53 H new ATOM 0 HA ALA A 102 -6.496 8.711 5.738 1.00 25.52 H new ATOM 0 HB1 ALA A 102 -4.775 10.482 5.406 1.00 25.20 H new ATOM 0 HB2 ALA A 102 -4.429 9.025 4.444 1.00 25.20 H new ATOM 0 HB3 ALA A 102 -5.116 10.467 3.660 1.00 25.20 H new ATOM 1575 N GLY A 103 -8.691 10.503 4.594 1.00 51.24 N ATOM 1576 CA GLY A 103 -9.731 11.467 4.905 1.00 51.02 C ATOM 1577 C GLY A 103 -10.465 11.871 3.638 1.00 34.22 C ATOM 1578 O GLY A 103 -11.492 11.283 3.297 1.00 73.54 O ATOM 0 H GLY A 103 -8.963 9.831 3.877 1.00 51.24 H new ATOM 0 HA2 GLY A 103 -10.433 11.038 5.620 1.00 51.02 H new ATOM 0 HA3 GLY A 103 -9.293 12.347 5.377 1.00 51.02 H new ATOM 1582 N ASN A 104 -9.966 12.885 2.937 1.00 52.04 N ATOM 1583 CA ASN A 104 -10.592 13.406 1.730 1.00 13.13 C ATOM 1584 C ASN A 104 -9.822 13.018 0.460 1.00 44.02 C ATOM 1585 O ASN A 104 -10.283 13.270 -0.651 1.00 63.13 O ATOM 1586 CB ASN A 104 -10.786 14.916 1.894 1.00 0.52 C ATOM 1587 CG ASN A 104 -12.093 15.316 1.239 1.00 71.32 C ATOM 1588 OD1 ASN A 104 -12.249 15.254 0.028 1.00 15.21 O ATOM 1589 ND2 ASN A 104 -13.110 15.591 2.032 1.00 60.31 N ATOM 0 H ASN A 104 -9.107 13.371 3.195 1.00 52.04 H new ATOM 0 HA ASN A 104 -11.572 12.948 1.598 1.00 13.13 H new ATOM 0 HB2 ASN A 104 -10.797 15.182 2.951 1.00 0.52 H new ATOM 0 HB3 ASN A 104 -9.955 15.455 1.438 1.00 0.52 H new ATOM 0 HD21 ASN A 104 -14.036 15.754 1.636 1.00 60.31 H new ATOM 0 HD22 ASN A 104 -12.971 15.641 3.041 1.00 60.31 H new ATOM 1596 N ALA A 105 -8.677 12.337 0.605 1.00 52.24 N ATOM 1597 CA ALA A 105 -7.943 11.716 -0.495 1.00 14.13 C ATOM 1598 C ALA A 105 -7.532 10.299 -0.082 1.00 45.24 C ATOM 1599 O ALA A 105 -7.678 9.904 1.086 1.00 11.02 O ATOM 1600 CB ALA A 105 -6.728 12.586 -0.875 1.00 14.45 C ATOM 0 H ALA A 105 -8.230 12.202 1.512 1.00 52.24 H new ATOM 0 HA ALA A 105 -8.575 11.643 -1.380 1.00 14.13 H new ATOM 0 HB1 ALA A 105 -6.186 12.116 -1.696 1.00 14.45 H new ATOM 0 HB2 ALA A 105 -7.070 13.574 -1.185 1.00 14.45 H new ATOM 0 HB3 ALA A 105 -6.067 12.685 -0.014 1.00 14.45 H new ATOM 1606 N PHE A 106 -6.917 9.561 -1.005 1.00 33.41 N ATOM 1607 CA PHE A 106 -6.303 8.255 -0.767 1.00 74.35 C ATOM 1608 C PHE A 106 -5.068 8.105 -1.653 1.00 11.31 C ATOM 1609 O PHE A 106 -4.890 8.877 -2.599 1.00 71.54 O ATOM 1610 CB PHE A 106 -7.322 7.131 -1.047 1.00 52.12 C ATOM 1611 CG PHE A 106 -7.967 7.119 -2.423 1.00 71.24 C ATOM 1612 CD1 PHE A 106 -8.968 8.057 -2.745 1.00 12.52 C ATOM 1613 CD2 PHE A 106 -7.625 6.127 -3.364 1.00 4.35 C ATOM 1614 CE1 PHE A 106 -9.587 8.035 -4.005 1.00 23.43 C ATOM 1615 CE2 PHE A 106 -8.265 6.091 -4.617 1.00 0.11 C ATOM 1616 CZ PHE A 106 -9.239 7.049 -4.941 1.00 33.21 C ATOM 0 H PHE A 106 -6.829 9.867 -1.974 1.00 33.41 H new ATOM 0 HA PHE A 106 -5.996 8.180 0.276 1.00 74.35 H new ATOM 0 HB2 PHE A 106 -6.822 6.174 -0.898 1.00 52.12 H new ATOM 0 HB3 PHE A 106 -8.114 7.197 -0.301 1.00 52.12 H new ATOM 0 HD1 PHE A 106 -9.261 8.799 -2.017 1.00 12.52 H new ATOM 0 HD2 PHE A 106 -6.870 5.393 -3.123 1.00 4.35 H new ATOM 0 HE1 PHE A 106 -10.331 8.777 -4.254 1.00 23.43 H new ATOM 0 HE2 PHE A 106 -8.006 5.324 -5.332 1.00 0.11 H new ATOM 0 HZ PHE A 106 -9.719 7.027 -5.908 1.00 33.21 H new ATOM 1626 N ASP A 107 -4.244 7.098 -1.375 1.00 5.45 N ATOM 1627 CA ASP A 107 -3.114 6.699 -2.209 1.00 12.02 C ATOM 1628 C ASP A 107 -3.179 5.186 -2.376 1.00 62.52 C ATOM 1629 O ASP A 107 -3.754 4.488 -1.534 1.00 20.43 O ATOM 1630 CB ASP A 107 -1.772 7.151 -1.588 1.00 2.44 C ATOM 1631 CG ASP A 107 -0.814 7.795 -2.598 1.00 41.13 C ATOM 1632 OD1 ASP A 107 -1.291 8.501 -3.510 1.00 62.43 O ATOM 1633 OD2 ASP A 107 0.423 7.697 -2.413 1.00 3.22 O ATOM 0 H ASP A 107 -4.347 6.521 -0.540 1.00 5.45 H new ATOM 0 HA ASP A 107 -3.172 7.182 -3.184 1.00 12.02 H new ATOM 0 HB2 ASP A 107 -1.973 7.862 -0.787 1.00 2.44 H new ATOM 0 HB3 ASP A 107 -1.283 6.289 -1.134 1.00 2.44 H new ATOM 1638 N GLU A 108 -2.606 4.663 -3.455 1.00 51.43 N ATOM 1639 CA GLU A 108 -2.712 3.262 -3.834 1.00 40.02 C ATOM 1640 C GLU A 108 -1.396 2.811 -4.451 1.00 64.31 C ATOM 1641 O GLU A 108 -0.748 3.580 -5.166 1.00 52.12 O ATOM 1642 CB GLU A 108 -3.920 3.107 -4.773 1.00 34.14 C ATOM 1643 CG GLU A 108 -3.984 1.799 -5.582 1.00 31.14 C ATOM 1644 CD GLU A 108 -3.251 1.845 -6.934 1.00 43.22 C ATOM 1645 OE1 GLU A 108 -3.198 2.923 -7.575 1.00 54.34 O ATOM 1646 OE2 GLU A 108 -2.825 0.784 -7.440 1.00 24.31 O ATOM 0 H GLU A 108 -2.043 5.215 -4.103 1.00 51.43 H new ATOM 0 HA GLU A 108 -2.885 2.617 -2.973 1.00 40.02 H new ATOM 0 HB2 GLU A 108 -4.830 3.188 -4.178 1.00 34.14 H new ATOM 0 HB3 GLU A 108 -3.921 3.943 -5.472 1.00 34.14 H new ATOM 0 HG2 GLU A 108 -3.560 0.995 -4.981 1.00 31.14 H new ATOM 0 HG3 GLU A 108 -5.030 1.548 -5.759 1.00 31.14 H new ATOM 1653 N PHE A 109 -1.005 1.568 -4.165 1.00 72.44 N ATOM 1654 CA PHE A 109 0.270 0.987 -4.559 1.00 42.22 C ATOM 1655 C PHE A 109 0.007 -0.412 -5.115 1.00 53.11 C ATOM 1656 O PHE A 109 -0.475 -1.298 -4.397 1.00 3.52 O ATOM 1657 CB PHE A 109 1.221 0.956 -3.346 1.00 20.44 C ATOM 1658 CG PHE A 109 1.314 2.267 -2.584 1.00 12.03 C ATOM 1659 CD1 PHE A 109 1.669 3.439 -3.272 1.00 4.43 C ATOM 1660 CD2 PHE A 109 0.928 2.352 -1.229 1.00 25.13 C ATOM 1661 CE1 PHE A 109 1.568 4.687 -2.641 1.00 13.32 C ATOM 1662 CE2 PHE A 109 0.875 3.599 -0.584 1.00 73.22 C ATOM 1663 CZ PHE A 109 1.175 4.769 -1.295 1.00 3.40 C ATOM 0 H PHE A 109 -1.589 0.921 -3.636 1.00 72.44 H new ATOM 0 HA PHE A 109 0.751 1.585 -5.333 1.00 42.22 H new ATOM 0 HB2 PHE A 109 0.890 0.175 -2.661 1.00 20.44 H new ATOM 0 HB3 PHE A 109 2.218 0.678 -3.689 1.00 20.44 H new ATOM 0 HD1 PHE A 109 2.021 3.379 -4.291 1.00 4.43 H new ATOM 0 HD2 PHE A 109 0.672 1.454 -0.686 1.00 25.13 H new ATOM 0 HE1 PHE A 109 1.793 5.588 -3.192 1.00 13.32 H new ATOM 0 HE2 PHE A 109 0.603 3.656 0.460 1.00 73.22 H new ATOM 0 HZ PHE A 109 1.104 5.731 -0.809 1.00 3.40 H new ATOM 1673 N LYS A 110 0.315 -0.611 -6.395 1.00 52.31 N ATOM 1674 CA LYS A 110 0.163 -1.880 -7.089 1.00 40.23 C ATOM 1675 C LYS A 110 1.459 -2.657 -6.909 1.00 63.41 C ATOM 1676 O LYS A 110 2.487 -2.262 -7.457 1.00 12.01 O ATOM 1677 CB LYS A 110 -0.185 -1.598 -8.562 1.00 62.45 C ATOM 1678 CG LYS A 110 -0.777 -2.816 -9.286 1.00 32.41 C ATOM 1679 CD LYS A 110 0.263 -3.879 -9.671 1.00 42.11 C ATOM 1680 CE LYS A 110 -0.380 -5.076 -10.360 1.00 2.22 C ATOM 1681 NZ LYS A 110 -0.896 -4.724 -11.691 1.00 4.23 N ATOM 0 H LYS A 110 0.687 0.129 -6.991 1.00 52.31 H new ATOM 0 HA LYS A 110 -0.649 -2.486 -6.687 1.00 40.23 H new ATOM 0 HB2 LYS A 110 -0.897 -0.774 -8.609 1.00 62.45 H new ATOM 0 HB3 LYS A 110 0.714 -1.273 -9.086 1.00 62.45 H new ATOM 0 HG2 LYS A 110 -1.531 -3.275 -8.647 1.00 32.41 H new ATOM 0 HG3 LYS A 110 -1.287 -2.478 -10.188 1.00 32.41 H new ATOM 0 HD2 LYS A 110 1.008 -3.436 -10.332 1.00 42.11 H new ATOM 0 HD3 LYS A 110 0.789 -4.214 -8.777 1.00 42.11 H new ATOM 0 HE2 LYS A 110 0.352 -5.878 -10.454 1.00 2.22 H new ATOM 0 HE3 LYS A 110 -1.194 -5.457 -9.743 1.00 2.22 H new ATOM 0 HZ1 LYS A 110 -1.219 -5.585 -12.177 1.00 4.23 H new ATOM 0 HZ2 LYS A 110 -1.693 -4.064 -11.591 1.00 4.23 H new ATOM 0 HZ3 LYS A 110 -0.142 -4.274 -12.248 1.00 4.23 H new ATOM 1695 N PHE A 111 1.434 -3.765 -6.171 1.00 42.43 N ATOM 1696 CA PHE A 111 2.595 -4.634 -6.024 1.00 71.31 C ATOM 1697 C PHE A 111 2.424 -5.843 -6.944 1.00 73.55 C ATOM 1698 O PHE A 111 1.300 -6.246 -7.247 1.00 54.21 O ATOM 1699 CB PHE A 111 2.705 -5.077 -4.566 1.00 14.13 C ATOM 1700 CG PHE A 111 3.156 -4.008 -3.577 1.00 34.44 C ATOM 1701 CD1 PHE A 111 2.248 -3.052 -3.078 1.00 52.24 C ATOM 1702 CD2 PHE A 111 4.466 -4.040 -3.062 1.00 2.51 C ATOM 1703 CE1 PHE A 111 2.641 -2.180 -2.047 1.00 34.42 C ATOM 1704 CE2 PHE A 111 4.850 -3.182 -2.017 1.00 21.10 C ATOM 1705 CZ PHE A 111 3.930 -2.258 -1.500 1.00 43.24 C ATOM 0 H PHE A 111 0.610 -4.083 -5.660 1.00 42.43 H new ATOM 0 HA PHE A 111 3.508 -4.105 -6.299 1.00 71.31 H new ATOM 0 HB2 PHE A 111 1.733 -5.453 -4.247 1.00 14.13 H new ATOM 0 HB3 PHE A 111 3.403 -5.912 -4.512 1.00 14.13 H new ATOM 0 HD1 PHE A 111 1.251 -2.989 -3.487 1.00 52.24 H new ATOM 0 HD2 PHE A 111 5.185 -4.732 -3.475 1.00 2.51 H new ATOM 0 HE1 PHE A 111 1.944 -1.444 -1.673 1.00 34.42 H new ATOM 0 HE2 PHE A 111 5.850 -3.234 -1.613 1.00 21.10 H new ATOM 0 HZ PHE A 111 4.213 -1.609 -0.684 1.00 43.24 H new ATOM 1715 N VAL A 112 3.518 -6.458 -7.382 1.00 12.30 N ATOM 1716 CA VAL A 112 3.503 -7.675 -8.187 1.00 2.20 C ATOM 1717 C VAL A 112 4.749 -8.470 -7.778 1.00 13.33 C ATOM 1718 O VAL A 112 5.859 -7.933 -7.816 1.00 22.34 O ATOM 1719 CB VAL A 112 3.402 -7.313 -9.688 1.00 42.22 C ATOM 1720 CG1 VAL A 112 4.364 -6.209 -10.162 1.00 4.00 C ATOM 1721 CG2 VAL A 112 3.558 -8.553 -10.577 1.00 75.22 C ATOM 0 H VAL A 112 4.459 -6.118 -7.183 1.00 12.30 H new ATOM 0 HA VAL A 112 2.632 -8.307 -8.013 1.00 2.20 H new ATOM 0 HB VAL A 112 2.398 -6.901 -9.792 1.00 42.22 H new ATOM 0 HG11 VAL A 112 4.215 -6.029 -11.227 1.00 4.00 H new ATOM 0 HG12 VAL A 112 4.166 -5.291 -9.608 1.00 4.00 H new ATOM 0 HG13 VAL A 112 5.393 -6.523 -9.988 1.00 4.00 H new ATOM 0 HG21 VAL A 112 3.482 -8.262 -11.625 1.00 75.22 H new ATOM 0 HG22 VAL A 112 4.531 -9.009 -10.397 1.00 75.22 H new ATOM 0 HG23 VAL A 112 2.772 -9.271 -10.342 1.00 75.22 H new ATOM 1731 N GLN A 113 4.563 -9.711 -7.326 1.00 64.51 N ATOM 1732 CA GLN A 113 5.608 -10.602 -6.846 1.00 31.54 C ATOM 1733 C GLN A 113 5.875 -11.691 -7.882 1.00 73.33 C ATOM 1734 O GLN A 113 4.946 -12.302 -8.418 1.00 15.40 O ATOM 1735 CB GLN A 113 5.218 -11.194 -5.476 1.00 42.05 C ATOM 1736 CG GLN A 113 6.300 -12.161 -4.975 1.00 54.41 C ATOM 1737 CD GLN A 113 6.139 -12.585 -3.523 1.00 3.42 C ATOM 1738 OE1 GLN A 113 5.099 -13.097 -3.138 1.00 5.44 O ATOM 1739 NE2 GLN A 113 7.177 -12.434 -2.716 1.00 24.30 N ATOM 0 H GLN A 113 3.637 -10.137 -7.285 1.00 64.51 H new ATOM 0 HA GLN A 113 6.531 -10.040 -6.706 1.00 31.54 H new ATOM 0 HB2 GLN A 113 5.079 -10.390 -4.753 1.00 42.05 H new ATOM 0 HB3 GLN A 113 4.265 -11.717 -5.558 1.00 42.05 H new ATOM 0 HG2 GLN A 113 6.294 -13.051 -5.604 1.00 54.41 H new ATOM 0 HG3 GLN A 113 7.276 -11.691 -5.098 1.00 54.41 H new ATOM 0 HE21 GLN A 113 8.034 -12.003 -3.063 1.00 24.30 H new ATOM 0 HE22 GLN A 113 7.120 -12.748 -1.747 1.00 24.30 H new ATOM 1748 N ASP A 114 7.156 -11.961 -8.137 1.00 51.01 N ATOM 1749 CA ASP A 114 7.568 -13.015 -9.056 1.00 43.14 C ATOM 1750 C ASP A 114 7.307 -14.427 -8.529 1.00 13.11 C ATOM 1751 O ASP A 114 7.005 -14.647 -7.353 1.00 45.01 O ATOM 1752 CB ASP A 114 9.033 -12.846 -9.507 1.00 33.32 C ATOM 1753 CG ASP A 114 9.103 -12.430 -10.981 1.00 53.43 C ATOM 1754 OD1 ASP A 114 8.392 -13.042 -11.811 1.00 61.23 O ATOM 1755 OD2 ASP A 114 9.845 -11.484 -11.342 1.00 52.12 O ATOM 0 H ASP A 114 7.933 -11.455 -7.712 1.00 51.01 H new ATOM 0 HA ASP A 114 6.930 -12.899 -9.932 1.00 43.14 H new ATOM 0 HB2 ASP A 114 9.525 -12.095 -8.889 1.00 33.32 H new ATOM 0 HB3 ASP A 114 9.573 -13.782 -9.362 1.00 33.32 H new ATOM 1760 N ALA A 115 7.419 -15.395 -9.435 1.00 74.43 N ATOM 1761 CA ALA A 115 7.440 -16.815 -9.120 1.00 52.24 C ATOM 1762 C ALA A 115 8.803 -17.252 -8.602 1.00 55.01 C ATOM 1763 O ALA A 115 9.835 -16.656 -8.930 1.00 35.45 O ATOM 1764 CB ALA A 115 7.171 -17.580 -10.410 1.00 54.31 C ATOM 0 H ALA A 115 7.500 -15.205 -10.434 1.00 74.43 H new ATOM 0 HA ALA A 115 6.692 -17.014 -8.352 1.00 52.24 H new ATOM 0 HB1 ALA A 115 7.180 -18.651 -10.207 1.00 54.31 H new ATOM 0 HB2 ALA A 115 6.197 -17.294 -10.806 1.00 54.31 H new ATOM 0 HB3 ALA A 115 7.944 -17.343 -11.141 1.00 54.31 H new ATOM 1770 N ALA A 116 8.805 -18.356 -7.860 1.00 74.14 N ATOM 1771 CA ALA A 116 10.024 -19.063 -7.533 1.00 54.34 C ATOM 1772 C ALA A 116 10.316 -20.007 -8.685 1.00 43.21 C ATOM 1773 O ALA A 116 9.671 -21.043 -8.860 1.00 14.00 O ATOM 1774 CB ALA A 116 9.897 -19.805 -6.220 1.00 54.31 C ATOM 0 H ALA A 116 7.961 -18.779 -7.473 1.00 74.14 H new ATOM 0 HA ALA A 116 10.849 -18.363 -7.401 1.00 54.34 H new ATOM 0 HB1 ALA A 116 10.830 -20.325 -6.004 1.00 54.31 H new ATOM 0 HB2 ALA A 116 9.684 -19.096 -5.420 1.00 54.31 H new ATOM 0 HB3 ALA A 116 9.085 -20.529 -6.288 1.00 54.31 H new ATOM 1780 N LYS A 117 11.291 -19.606 -9.481 1.00 44.43 N ATOM 1781 CA LYS A 117 11.772 -20.309 -10.658 1.00 2.03 C ATOM 1782 C LYS A 117 12.640 -21.486 -10.223 1.00 62.22 C ATOM 1783 O LYS A 117 13.868 -21.402 -10.241 1.00 65.24 O ATOM 1784 CB LYS A 117 12.522 -19.312 -11.546 1.00 24.13 C ATOM 1785 CG LYS A 117 12.833 -19.868 -12.936 1.00 42.34 C ATOM 1786 CD LYS A 117 13.942 -19.025 -13.581 1.00 1.32 C ATOM 1787 CE LYS A 117 14.117 -19.425 -15.046 1.00 65.41 C ATOM 1788 NZ LYS A 117 13.062 -18.850 -15.903 1.00 61.43 N ATOM 0 H LYS A 117 11.796 -18.735 -9.315 1.00 44.43 H new ATOM 0 HA LYS A 117 10.948 -20.721 -11.241 1.00 2.03 H new ATOM 0 HB2 LYS A 117 11.926 -18.405 -11.648 1.00 24.13 H new ATOM 0 HB3 LYS A 117 13.454 -19.028 -11.057 1.00 24.13 H new ATOM 0 HG2 LYS A 117 13.148 -20.909 -12.862 1.00 42.34 H new ATOM 0 HG3 LYS A 117 11.937 -19.849 -13.557 1.00 42.34 H new ATOM 0 HD2 LYS A 117 13.692 -17.966 -13.512 1.00 1.32 H new ATOM 0 HD3 LYS A 117 14.879 -19.167 -13.042 1.00 1.32 H new ATOM 0 HE2 LYS A 117 15.093 -19.092 -15.399 1.00 65.41 H new ATOM 0 HE3 LYS A 117 14.101 -20.512 -15.130 1.00 65.41 H new ATOM 0 HZ1 LYS A 117 13.263 -19.074 -16.899 1.00 61.43 H new ATOM 0 HZ2 LYS A 117 12.141 -19.253 -15.637 1.00 61.43 H new ATOM 0 HZ3 LYS A 117 13.038 -17.818 -15.778 1.00 61.43 H new ATOM 1802 N GLN A 118 12.000 -22.570 -9.809 1.00 44.35 N ATOM 1803 CA GLN A 118 12.598 -23.840 -9.462 1.00 65.53 C ATOM 1804 C GLN A 118 11.752 -24.925 -10.101 1.00 42.02 C ATOM 1805 O GLN A 118 11.552 -24.837 -11.336 1.00 52.55 O ATOM 1806 CB GLN A 118 12.784 -23.912 -7.934 1.00 53.05 C ATOM 1807 CG GLN A 118 11.713 -23.287 -7.018 1.00 33.42 C ATOM 1808 CD GLN A 118 10.378 -24.026 -6.960 1.00 21.53 C ATOM 1809 OE1 GLN A 118 10.257 -25.068 -6.323 1.00 20.13 O ATOM 1810 NE2 GLN A 118 9.306 -23.482 -7.508 1.00 2.42 N ATOM 0 H GLN A 118 10.986 -22.581 -9.702 1.00 44.35 H new ATOM 0 HA GLN A 118 13.606 -23.978 -9.854 1.00 65.53 H new ATOM 0 HB2 GLN A 118 12.875 -24.964 -7.663 1.00 53.05 H new ATOM 0 HB3 GLN A 118 13.737 -23.439 -7.696 1.00 53.05 H new ATOM 0 HG2 GLN A 118 12.117 -23.225 -6.008 1.00 33.42 H new ATOM 0 HG3 GLN A 118 11.528 -22.266 -7.351 1.00 33.42 H new ATOM 0 HE21 GLN A 118 9.389 -22.616 -8.041 1.00 2.42 H new ATOM 0 HE22 GLN A 118 8.395 -23.928 -7.398 1.00 2.42 H new TER 1819 GLN A 118