USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 935 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 101 SER OG : rot -93:sc= 0.824 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -150:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot -92:sc= 1.26 USER MOD Set 3.1: A 28 THR OG1 : rot -18:sc= 0.614 USER MOD Set 3.2: A 47 THR OG1 : rot -84:sc=3.01e-05 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN : amide:sc= -7.49! K(o=-7.5!,f=-1.6) USER MOD Single : A 1 ASN N :NH3+ 137:sc= 0.0186 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 21:sc= 0.994 USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0789 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0923 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 164:sc= 0.138 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -11.4! C(o=-11!,f=-8.9!) USER MOD Single : A 50 SER OG : rot -58:sc= 0.237 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.934 USER MOD Single : A 57 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.23) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.852 USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.136 (180deg=-1.57) USER MOD Single : A 67 HIS : no HD1:sc= -1 X(o=-1,f=-1.2) USER MOD Single : A 73 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.28) USER MOD Single : A 75 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.7!) USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= -0.726 (180deg=-3.18!) USER MOD Single : A 83 SER OG : rot 30:sc= 0.173 USER MOD Single : A 87 GLN : amide:sc= -4.41 K(o=-4.4,f=-1.9) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -103:sc= 1.33 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.751 X(o=-0.75,f=-0.38) USER MOD Single : A 121 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 31.783 -0.360 -0.642 1.00 0.00 N ATOM 21 CA ASN A 1 30.715 0.557 -1.026 1.00 0.00 C ATOM 22 C ASN A 1 30.031 0.102 -2.310 1.00 0.00 C ATOM 23 O ASN A 1 30.676 -0.426 -3.216 1.00 0.00 O ATOM 24 CB ASN A 1 31.269 1.972 -1.198 1.00 0.00 C ATOM 25 CG ASN A 1 31.463 2.677 0.130 1.00 0.00 C ATOM 26 OD1 ASN A 1 32.532 2.612 0.734 1.00 0.00 O ATOM 27 ND2 ASN A 1 30.419 3.356 0.590 1.00 0.00 N ATOM 0 H1 ASN A 1 32.614 0.184 -0.335 1.00 0.00 H new ATOM 0 H2 ASN A 1 31.457 -0.965 0.139 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.040 -0.954 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 1 29.971 0.559 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.222 1.926 -1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.589 2.554 -1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 1 30.485 3.852 1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.551 3.382 0.054 1.00 0.00 H new ATOM 34 N CYS A 2 28.721 0.316 -2.379 1.00 0.00 N ATOM 35 CA CYS A 2 27.940 -0.075 -3.546 1.00 0.00 C ATOM 36 C CYS A 2 27.826 1.072 -4.544 1.00 0.00 C ATOM 37 O CYS A 2 28.361 2.159 -4.319 1.00 0.00 O ATOM 38 CB CYS A 2 26.542 -0.521 -3.121 1.00 0.00 C ATOM 39 SG CYS A 2 26.525 -1.699 -1.734 1.00 0.00 S ATOM 0 H CYS A 2 28.177 0.759 -1.638 1.00 0.00 H new ATOM 0 HA CYS A 2 28.457 -0.904 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.961 0.358 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.042 -0.976 -3.976 1.00 0.00 H new ATOM 44 N GLY A 3 27.129 0.821 -5.645 1.00 0.00 N ATOM 45 CA GLY A 3 26.927 1.850 -6.647 1.00 0.00 C ATOM 46 C GLY A 3 25.755 2.748 -6.291 1.00 0.00 C ATOM 47 O GLY A 3 24.968 2.407 -5.408 1.00 0.00 O ATOM 0 H GLY A 3 26.699 -0.078 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.832 2.450 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.750 1.386 -7.617 1.00 0.00 H new ATOM 51 N PRO A 4 25.611 3.908 -6.958 1.00 0.00 N ATOM 52 CA PRO A 4 24.514 4.845 -6.689 1.00 0.00 C ATOM 53 C PRO A 4 23.168 4.139 -6.520 1.00 0.00 C ATOM 54 O PRO A 4 22.786 3.307 -7.342 1.00 0.00 O ATOM 55 CB PRO A 4 24.525 5.735 -7.928 1.00 0.00 C ATOM 56 CG PRO A 4 25.965 5.785 -8.306 1.00 0.00 C ATOM 57 CD PRO A 4 26.502 4.405 -8.027 1.00 0.00 C ATOM 0 HA PRO A 4 24.646 5.391 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.914 5.317 -8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.132 6.728 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.086 6.048 -9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.497 6.538 -7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.462 3.770 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.542 4.435 -7.703 1.00 0.00 H new ATOM 65 N PRO A 5 22.433 4.471 -5.439 1.00 0.00 N ATOM 66 CA PRO A 5 21.133 3.860 -5.133 1.00 0.00 C ATOM 67 C PRO A 5 20.169 3.848 -6.316 1.00 0.00 C ATOM 68 O PRO A 5 19.915 4.881 -6.936 1.00 0.00 O ATOM 69 CB PRO A 5 20.582 4.743 -4.016 1.00 0.00 C ATOM 70 CG PRO A 5 21.792 5.283 -3.341 1.00 0.00 C ATOM 71 CD PRO A 5 22.816 5.474 -4.426 1.00 0.00 C ATOM 0 HA PRO A 5 21.247 2.810 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.958 5.544 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.964 4.170 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.572 6.226 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.154 4.594 -2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.788 6.485 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.828 5.306 -4.057 1.00 0.00 H new ATOM 79 N PRO A 6 19.622 2.662 -6.641 1.00 0.00 N ATOM 80 CA PRO A 6 18.662 2.501 -7.736 1.00 0.00 C ATOM 81 C PRO A 6 17.263 2.952 -7.339 1.00 0.00 C ATOM 82 O PRO A 6 17.012 3.396 -6.218 1.00 0.00 O ATOM 83 CB PRO A 6 18.671 0.992 -7.983 1.00 0.00 C ATOM 84 CG PRO A 6 19.024 0.391 -6.667 1.00 0.00 C ATOM 85 CD PRO A 6 19.916 1.380 -5.969 1.00 0.00 C ATOM 0 HA PRO A 6 18.927 3.099 -8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.698 0.642 -8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.398 0.721 -8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.128 0.194 -6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.533 -0.563 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.699 1.430 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.967 1.109 -6.068 1.00 0.00 H new ATOM 93 N THR A 7 16.363 2.821 -8.310 1.00 0.00 N ATOM 94 CA THR A 7 14.970 3.210 -8.138 1.00 0.00 C ATOM 95 C THR A 7 14.106 1.990 -7.841 1.00 0.00 C ATOM 96 O THR A 7 14.236 0.955 -8.495 1.00 0.00 O ATOM 97 CB THR A 7 14.432 3.924 -9.393 1.00 0.00 C ATOM 98 OG1 THR A 7 13.140 4.481 -9.124 1.00 0.00 O ATOM 99 CG2 THR A 7 14.338 2.967 -10.572 1.00 0.00 C ATOM 0 H THR A 7 16.579 2.444 -9.233 1.00 0.00 H new ATOM 0 HA THR A 7 14.924 3.900 -7.295 1.00 0.00 H new ATOM 0 HB THR A 7 15.129 4.722 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.806 4.934 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.955 3.499 -11.443 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.327 2.568 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.664 2.147 -10.323 1.00 0.00 H new ATOM 107 N LEU A 8 13.233 2.104 -6.849 1.00 0.00 N ATOM 108 CA LEU A 8 12.358 0.996 -6.490 1.00 0.00 C ATOM 109 C LEU A 8 10.917 1.252 -6.916 1.00 0.00 C ATOM 110 O LEU A 8 10.609 2.264 -7.546 1.00 0.00 O ATOM 111 CB LEU A 8 12.420 0.748 -4.982 1.00 0.00 C ATOM 112 CG LEU A 8 13.834 0.629 -4.406 1.00 0.00 C ATOM 113 CD1 LEU A 8 13.778 0.327 -2.917 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.623 -0.443 -5.140 1.00 0.00 C ATOM 0 H LEU A 8 13.112 2.944 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 8 12.709 0.111 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.903 1.562 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.873 -0.167 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 8 14.343 1.583 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.791 0.246 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.252 1.131 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.250 -0.613 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.625 -0.512 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.118 -1.403 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.693 -0.184 -6.196 1.00 0.00 H new ATOM 126 N SER A 9 10.044 0.317 -6.561 1.00 0.00 N ATOM 127 CA SER A 9 8.630 0.432 -6.900 1.00 0.00 C ATOM 128 C SER A 9 7.775 0.662 -5.660 1.00 0.00 C ATOM 129 O SER A 9 7.265 1.762 -5.447 1.00 0.00 O ATOM 130 CB SER A 9 8.157 -0.823 -7.638 1.00 0.00 C ATOM 131 OG SER A 9 6.778 -0.742 -7.951 1.00 0.00 O ATOM 0 H SER A 9 10.288 -0.526 -6.041 1.00 0.00 H new ATOM 0 HA SER A 9 8.515 1.297 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.734 -0.949 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.342 -1.703 -7.021 1.00 0.00 H new ATOM 0 HG SER A 9 6.501 -1.555 -8.423 1.00 0.00 H new ATOM 137 N PHE A 10 7.623 -0.376 -4.842 1.00 0.00 N ATOM 138 CA PHE A 10 6.823 -0.268 -3.623 1.00 0.00 C ATOM 139 C PHE A 10 7.426 0.761 -2.675 1.00 0.00 C ATOM 140 O PHE A 10 6.869 1.036 -1.616 1.00 0.00 O ATOM 141 CB PHE A 10 6.707 -1.618 -2.905 1.00 0.00 C ATOM 142 CG PHE A 10 7.163 -2.794 -3.724 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.502 -3.144 -3.773 1.00 0.00 C ATOM 144 CD2 PHE A 10 6.250 -3.548 -4.443 1.00 0.00 C ATOM 145 CE1 PHE A 10 8.924 -4.225 -4.524 1.00 0.00 C ATOM 146 CE2 PHE A 10 6.665 -4.630 -5.197 1.00 0.00 C ATOM 147 CZ PHE A 10 8.004 -4.968 -5.237 1.00 0.00 C ATOM 0 H PHE A 10 8.039 -1.294 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 10 5.824 0.053 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.293 -1.580 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.668 -1.774 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.225 -2.565 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.202 -3.288 -4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.971 -4.488 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.944 -5.210 -5.754 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.331 -5.813 -5.825 1.00 0.00 H new ATOM 157 N ALA A 11 8.567 1.325 -3.064 1.00 0.00 N ATOM 158 CA ALA A 11 9.238 2.320 -2.239 1.00 0.00 C ATOM 159 C ALA A 11 10.039 3.313 -3.075 1.00 0.00 C ATOM 160 O ALA A 11 10.463 3.021 -4.193 1.00 0.00 O ATOM 161 CB ALA A 11 10.149 1.629 -1.237 1.00 0.00 C ATOM 0 H ALA A 11 9.042 1.110 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 11 8.469 2.884 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.648 2.378 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.557 0.973 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.896 1.040 -1.770 1.00 0.00 H new ATOM 167 N ALA A 12 10.230 4.495 -2.497 1.00 0.00 N ATOM 168 CA ALA A 12 11.012 5.541 -3.145 1.00 0.00 C ATOM 169 C ALA A 12 11.897 6.254 -2.125 1.00 0.00 C ATOM 170 O ALA A 12 11.616 6.208 -0.931 1.00 0.00 O ATOM 171 CB ALA A 12 10.088 6.534 -3.838 1.00 0.00 C ATOM 0 H ALA A 12 9.855 4.751 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 12 11.656 5.083 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.683 7.311 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.494 6.015 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.425 6.988 -3.102 1.00 0.00 H new ATOM 177 N PRO A 13 12.982 6.916 -2.573 1.00 0.00 N ATOM 178 CA PRO A 13 13.894 7.633 -1.673 1.00 0.00 C ATOM 179 C PRO A 13 13.148 8.442 -0.615 1.00 0.00 C ATOM 180 O PRO A 13 12.102 9.028 -0.899 1.00 0.00 O ATOM 181 CB PRO A 13 14.653 8.555 -2.623 1.00 0.00 C ATOM 182 CG PRO A 13 14.688 7.813 -3.914 1.00 0.00 C ATOM 183 CD PRO A 13 13.406 7.021 -3.984 1.00 0.00 C ATOM 0 HA PRO A 13 14.534 6.958 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.149 9.516 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.659 8.762 -2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.766 8.501 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.555 7.154 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.655 7.527 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.566 6.039 -4.428 1.00 0.00 H new ATOM 191 N MET A 14 13.685 8.476 0.604 1.00 0.00 N ATOM 192 CA MET A 14 13.046 9.216 1.687 1.00 0.00 C ATOM 193 C MET A 14 14.052 10.049 2.466 1.00 0.00 C ATOM 194 O MET A 14 13.823 11.227 2.739 1.00 0.00 O ATOM 195 CB MET A 14 12.325 8.252 2.633 1.00 0.00 C ATOM 196 CG MET A 14 11.404 8.940 3.630 1.00 0.00 C ATOM 197 SD MET A 14 12.295 9.711 4.996 1.00 0.00 S ATOM 198 CE MET A 14 10.941 10.437 5.917 1.00 0.00 C ATOM 0 H MET A 14 14.552 8.005 0.863 1.00 0.00 H new ATOM 0 HA MET A 14 12.321 9.896 1.240 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.742 7.546 2.042 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.068 7.672 3.180 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.818 9.699 3.111 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.699 8.210 4.029 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.332 10.951 6.795 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.412 11.150 5.285 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.254 9.652 6.233 1.00 0.00 H new ATOM 208 N ASP A 15 15.166 9.428 2.817 1.00 0.00 N ATOM 209 CA ASP A 15 16.213 10.101 3.573 1.00 0.00 C ATOM 210 C ASP A 15 17.540 9.363 3.440 1.00 0.00 C ATOM 211 O ASP A 15 18.040 8.776 4.402 1.00 0.00 O ATOM 212 CB ASP A 15 15.808 10.199 5.040 1.00 0.00 C ATOM 213 CG ASP A 15 16.726 11.101 5.842 1.00 0.00 C ATOM 214 OD1 ASP A 15 16.491 12.328 5.853 1.00 0.00 O ATOM 215 OD2 ASP A 15 17.678 10.581 6.460 1.00 0.00 O ATOM 0 H ASP A 15 15.370 8.455 2.590 1.00 0.00 H new ATOM 0 HA ASP A 15 16.343 11.105 3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.787 10.575 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.810 9.202 5.480 1.00 0.00 H new ATOM 220 N ILE A 16 18.098 9.392 2.237 1.00 0.00 N ATOM 221 CA ILE A 16 19.356 8.730 1.952 1.00 0.00 C ATOM 222 C ILE A 16 20.511 9.719 2.012 1.00 0.00 C ATOM 223 O ILE A 16 21.663 9.376 1.746 1.00 0.00 O ATOM 224 CB ILE A 16 19.295 8.067 0.560 1.00 0.00 C ATOM 225 CG1 ILE A 16 20.022 8.905 -0.499 1.00 0.00 C ATOM 226 CG2 ILE A 16 17.842 7.868 0.156 1.00 0.00 C ATOM 227 CD1 ILE A 16 20.083 8.245 -1.862 1.00 0.00 C ATOM 0 H ILE A 16 17.690 9.874 1.436 1.00 0.00 H new ATOM 0 HA ILE A 16 19.524 7.962 2.707 1.00 0.00 H new ATOM 0 HB ILE A 16 19.799 7.102 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 16 19.521 9.868 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.037 9.106 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 16 17.799 7.400 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.346 7.227 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 16 17.339 8.834 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 16 20.611 8.896 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 16 20.610 7.294 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.071 8.069 -2.227 1.00 0.00 H new ATOM 239 N THR A 17 20.178 10.940 2.398 1.00 0.00 N ATOM 240 CA THR A 17 21.144 12.024 2.481 1.00 0.00 C ATOM 241 C THR A 17 22.009 12.086 1.237 1.00 0.00 C ATOM 242 O THR A 17 23.060 11.452 1.158 1.00 0.00 O ATOM 243 CB THR A 17 22.061 11.920 3.703 1.00 0.00 C ATOM 244 OG1 THR A 17 22.699 10.638 3.741 1.00 0.00 O ATOM 245 CG2 THR A 17 21.286 12.153 4.991 1.00 0.00 C ATOM 0 H THR A 17 19.230 11.208 2.663 1.00 0.00 H new ATOM 0 HA THR A 17 20.550 12.933 2.574 1.00 0.00 H new ATOM 0 HB THR A 17 22.823 12.695 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 17 22.689 10.241 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.962 12.073 5.842 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.841 13.148 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.498 11.405 5.082 1.00 0.00 H new ATOM 253 N LEU A 18 21.550 12.852 0.267 1.00 0.00 N ATOM 254 CA LEU A 18 22.260 13.021 -0.979 1.00 0.00 C ATOM 255 C LEU A 18 23.534 13.828 -0.770 1.00 0.00 C ATOM 256 O LEU A 18 23.571 15.032 -1.024 1.00 0.00 O ATOM 257 CB LEU A 18 21.348 13.717 -1.976 1.00 0.00 C ATOM 258 CG LEU A 18 20.332 12.804 -2.671 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.046 11.700 -3.435 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.364 12.208 -1.658 1.00 0.00 C ATOM 0 H LEU A 18 20.675 13.373 0.323 1.00 0.00 H new ATOM 0 HA LEU A 18 22.546 12.043 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.807 14.510 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.964 14.195 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 18 19.761 13.404 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.310 11.061 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.699 12.142 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.642 11.105 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.651 11.563 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.919 11.623 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.828 13.010 -1.151 1.00 0.00 H new ATOM 272 N THR A 19 24.575 13.155 -0.292 1.00 0.00 N ATOM 273 CA THR A 19 25.854 13.802 -0.037 1.00 0.00 C ATOM 274 C THR A 19 27.009 12.867 -0.373 1.00 0.00 C ATOM 275 O THR A 19 28.147 13.303 -0.543 1.00 0.00 O ATOM 276 CB THR A 19 25.974 14.237 1.437 1.00 0.00 C ATOM 277 OG1 THR A 19 26.108 13.086 2.278 1.00 0.00 O ATOM 278 CG2 THR A 19 24.754 15.041 1.867 1.00 0.00 C ATOM 0 H THR A 19 24.556 12.159 -0.073 1.00 0.00 H new ATOM 0 HA THR A 19 25.902 14.685 -0.675 1.00 0.00 H new ATOM 0 HB THR A 19 26.859 14.866 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.185 13.371 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.862 15.336 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.668 15.932 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.858 14.431 1.754 1.00 0.00 H new ATOM 286 N GLU A 20 26.703 11.577 -0.470 1.00 0.00 N ATOM 287 CA GLU A 20 27.709 10.572 -0.786 1.00 0.00 C ATOM 288 C GLU A 20 27.274 9.720 -1.975 1.00 0.00 C ATOM 289 O GLU A 20 26.135 9.258 -2.037 1.00 0.00 O ATOM 290 CB GLU A 20 27.966 9.672 0.425 1.00 0.00 C ATOM 291 CG GLU A 20 28.483 10.416 1.645 1.00 0.00 C ATOM 292 CD GLU A 20 29.800 11.124 1.386 1.00 0.00 C ATOM 293 OE1 GLU A 20 30.835 10.432 1.285 1.00 0.00 O ATOM 294 OE2 GLU A 20 29.796 12.368 1.287 1.00 0.00 O ATOM 0 H GLU A 20 25.764 11.204 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 20 28.630 11.093 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.040 9.161 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.687 8.903 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 20 27.739 11.147 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.609 9.712 2.468 1.00 0.00 H new ATOM 301 N THR A 21 28.191 9.515 -2.913 1.00 0.00 N ATOM 302 CA THR A 21 27.910 8.711 -4.097 1.00 0.00 C ATOM 303 C THR A 21 27.919 7.228 -3.765 1.00 0.00 C ATOM 304 O THR A 21 27.336 6.413 -4.480 1.00 0.00 O ATOM 305 CB THR A 21 28.944 8.958 -5.202 1.00 0.00 C ATOM 306 OG1 THR A 21 30.194 9.355 -4.626 1.00 0.00 O ATOM 307 CG2 THR A 21 28.464 10.019 -6.179 1.00 0.00 C ATOM 0 H THR A 21 29.137 9.895 -2.877 1.00 0.00 H new ATOM 0 HA THR A 21 26.922 9.009 -4.447 1.00 0.00 H new ATOM 0 HB THR A 21 29.078 8.026 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.849 9.509 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.219 10.171 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.533 9.693 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.296 10.955 -5.646 1.00 0.00 H new ATOM 315 N ARG A 22 28.587 6.889 -2.672 1.00 0.00 N ATOM 316 CA ARG A 22 28.694 5.502 -2.237 1.00 0.00 C ATOM 317 C ARG A 22 28.122 5.325 -0.835 1.00 0.00 C ATOM 318 O ARG A 22 27.934 6.295 -0.103 1.00 0.00 O ATOM 319 CB ARG A 22 30.148 5.051 -2.231 1.00 0.00 C ATOM 320 CG ARG A 22 30.906 5.369 -3.509 1.00 0.00 C ATOM 321 CD ARG A 22 32.356 4.922 -3.412 1.00 0.00 C ATOM 322 NE ARG A 22 33.120 5.264 -4.608 1.00 0.00 N ATOM 323 CZ ARG A 22 34.412 4.988 -4.760 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.077 4.362 -3.798 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.040 5.335 -5.875 1.00 0.00 N ATOM 0 H ARG A 22 29.065 7.557 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 22 28.124 4.895 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.659 5.523 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.182 3.975 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.426 4.874 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.865 6.441 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.820 5.386 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.392 3.844 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 22 32.636 5.741 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.597 4.091 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.068 4.151 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.532 5.815 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.031 5.122 -5.989 1.00 0.00 H new ATOM 339 N PHE A 23 27.847 4.076 -0.471 1.00 0.00 N ATOM 340 CA PHE A 23 27.302 3.739 0.840 1.00 0.00 C ATOM 341 C PHE A 23 27.879 2.399 1.300 1.00 0.00 C ATOM 342 O PHE A 23 27.623 1.367 0.684 1.00 0.00 O ATOM 343 CB PHE A 23 25.773 3.673 0.767 1.00 0.00 C ATOM 344 CG PHE A 23 25.146 4.906 0.178 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.191 5.129 -1.187 1.00 0.00 C ATOM 346 CD2 PHE A 23 24.529 5.848 0.987 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.638 6.264 -1.737 1.00 0.00 C ATOM 348 CE2 PHE A 23 23.968 6.987 0.441 1.00 0.00 C ATOM 349 CZ PHE A 23 24.023 7.197 -0.924 1.00 0.00 C ATOM 0 H PHE A 23 27.996 3.269 -1.077 1.00 0.00 H new ATOM 0 HA PHE A 23 27.578 4.508 1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.483 2.808 0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 23 25.376 3.517 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.666 4.403 -1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.486 5.690 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.685 6.425 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 23 23.487 7.712 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 23 23.587 8.087 -1.354 1.00 0.00 H new ATOM 359 N LYS A 24 28.667 2.421 2.375 1.00 0.00 N ATOM 360 CA LYS A 24 29.301 1.201 2.883 1.00 0.00 C ATOM 361 C LYS A 24 28.289 0.094 3.142 1.00 0.00 C ATOM 362 O LYS A 24 27.082 0.305 3.057 1.00 0.00 O ATOM 363 CB LYS A 24 30.091 1.481 4.162 1.00 0.00 C ATOM 364 CG LYS A 24 29.307 2.256 5.210 1.00 0.00 C ATOM 365 CD LYS A 24 30.088 2.375 6.510 1.00 0.00 C ATOM 366 CE LYS A 24 29.231 2.950 7.627 1.00 0.00 C ATOM 367 NZ LYS A 24 28.861 4.368 7.372 1.00 0.00 N ATOM 0 H LYS A 24 28.882 3.263 2.909 1.00 0.00 H new ATOM 0 HA LYS A 24 29.985 0.862 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.416 0.534 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 24 30.991 2.041 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.075 3.251 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.357 1.757 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.459 1.393 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 24 30.959 3.011 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.326 2.353 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.771 2.880 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.277 4.721 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.724 4.944 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.323 4.432 6.484 1.00 0.00 H new ATOM 381 N THR A 25 28.802 -1.087 3.474 1.00 0.00 N ATOM 382 CA THR A 25 27.960 -2.243 3.740 1.00 0.00 C ATOM 383 C THR A 25 27.248 -2.126 5.080 1.00 0.00 C ATOM 384 O THR A 25 26.333 -2.896 5.375 1.00 0.00 O ATOM 385 CB THR A 25 28.769 -3.545 3.735 1.00 0.00 C ATOM 386 OG1 THR A 25 30.103 -3.300 4.194 1.00 0.00 O ATOM 387 CG2 THR A 25 28.802 -4.182 2.348 1.00 0.00 C ATOM 0 H THR A 25 29.802 -1.266 3.565 1.00 0.00 H new ATOM 0 HA THR A 25 27.222 -2.269 2.938 1.00 0.00 H new ATOM 0 HB THR A 25 28.277 -4.243 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 25 30.610 -4.139 4.188 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.384 -5.103 2.384 1.00 0.00 H new ATOM 0 HG22 THR A 25 27.785 -4.408 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.260 -3.490 1.641 1.00 0.00 H new ATOM 395 N GLY A 26 27.672 -1.167 5.888 1.00 0.00 N ATOM 396 CA GLY A 26 27.060 -0.974 7.187 1.00 0.00 C ATOM 397 C GLY A 26 25.986 0.089 7.149 1.00 0.00 C ATOM 398 O GLY A 26 25.226 0.254 8.103 1.00 0.00 O ATOM 0 H GLY A 26 28.428 -0.519 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.628 -1.915 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 26 27.825 -0.692 7.911 1.00 0.00 H new ATOM 402 N THR A 27 25.927 0.810 6.036 1.00 0.00 N ATOM 403 CA THR A 27 24.952 1.879 5.846 1.00 0.00 C ATOM 404 C THR A 27 23.534 1.329 5.743 1.00 0.00 C ATOM 405 O THR A 27 23.336 0.131 5.552 1.00 0.00 O ATOM 406 CB THR A 27 25.262 2.685 4.572 1.00 0.00 C ATOM 407 OG1 THR A 27 24.693 3.997 4.672 1.00 0.00 O ATOM 408 CG2 THR A 27 24.709 1.985 3.342 1.00 0.00 C ATOM 0 H THR A 27 26.551 0.671 5.241 1.00 0.00 H new ATOM 0 HA THR A 27 25.021 2.529 6.719 1.00 0.00 H new ATOM 0 HB THR A 27 26.345 2.763 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.896 4.504 3.859 1.00 0.00 H new ATOM 0 HG21 THR A 27 24.940 2.573 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.161 0.997 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.628 1.882 3.437 1.00 0.00 H new ATOM 416 N THR A 28 22.552 2.215 5.865 1.00 0.00 N ATOM 417 CA THR A 28 21.151 1.820 5.772 1.00 0.00 C ATOM 418 C THR A 28 20.264 3.029 5.495 1.00 0.00 C ATOM 419 O THR A 28 20.275 4.005 6.245 1.00 0.00 O ATOM 420 CB THR A 28 20.666 1.119 7.057 1.00 0.00 C ATOM 421 OG1 THR A 28 21.481 -0.026 7.335 1.00 0.00 O ATOM 422 CG2 THR A 28 19.213 0.688 6.926 1.00 0.00 C ATOM 0 H THR A 28 22.700 3.211 6.028 1.00 0.00 H new ATOM 0 HA THR A 28 21.077 1.115 4.944 1.00 0.00 H new ATOM 0 HB THR A 28 20.747 1.830 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.969 -0.284 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.895 0.196 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.588 1.563 6.748 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.113 -0.005 6.091 1.00 0.00 H new ATOM 430 N LEU A 29 19.496 2.956 4.411 1.00 0.00 N ATOM 431 CA LEU A 29 18.618 4.052 4.018 1.00 0.00 C ATOM 432 C LEU A 29 17.249 3.938 4.682 1.00 0.00 C ATOM 433 O LEU A 29 17.066 3.163 5.623 1.00 0.00 O ATOM 434 CB LEU A 29 18.456 4.087 2.494 1.00 0.00 C ATOM 435 CG LEU A 29 19.752 4.294 1.702 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.599 3.031 1.717 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.440 4.700 0.271 1.00 0.00 C ATOM 0 H LEU A 29 19.465 2.148 3.789 1.00 0.00 H new ATOM 0 HA LEU A 29 19.081 4.980 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 29 17.998 3.151 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.761 4.887 2.237 1.00 0.00 H new ATOM 0 HG LEU A 29 20.318 5.095 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.514 3.200 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.852 2.775 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.039 2.212 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.371 4.843 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.852 3.918 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.873 5.631 0.272 1.00 0.00 H new ATOM 449 N LYS A 30 16.289 4.715 4.183 1.00 0.00 N ATOM 450 CA LYS A 30 14.934 4.712 4.727 1.00 0.00 C ATOM 451 C LYS A 30 13.913 4.328 3.663 1.00 0.00 C ATOM 452 O LYS A 30 13.280 3.276 3.748 1.00 0.00 O ATOM 453 CB LYS A 30 14.585 6.090 5.296 1.00 0.00 C ATOM 454 CG LYS A 30 13.372 6.090 6.216 1.00 0.00 C ATOM 455 CD LYS A 30 13.745 5.741 7.652 1.00 0.00 C ATOM 456 CE LYS A 30 14.069 4.264 7.815 1.00 0.00 C ATOM 457 NZ LYS A 30 14.359 3.912 9.233 1.00 0.00 N ATOM 0 H LYS A 30 16.426 5.356 3.401 1.00 0.00 H new ATOM 0 HA LYS A 30 14.900 3.970 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.445 6.474 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.402 6.777 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.899 7.072 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.638 5.374 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.605 6.336 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.922 6.007 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.230 3.667 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.929 4.010 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.575 2.897 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.175 4.463 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.530 4.130 9.821 1.00 0.00 H new ATOM 471 N TYR A 31 13.759 5.196 2.665 1.00 0.00 N ATOM 472 CA TYR A 31 12.813 4.967 1.575 1.00 0.00 C ATOM 473 C TYR A 31 11.370 5.023 2.070 1.00 0.00 C ATOM 474 O TYR A 31 10.981 4.277 2.970 1.00 0.00 O ATOM 475 CB TYR A 31 13.078 3.618 0.898 1.00 0.00 C ATOM 476 CG TYR A 31 14.115 3.676 -0.198 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.471 3.681 0.099 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.736 3.724 -1.534 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.419 3.733 -0.904 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.679 3.777 -2.542 1.00 0.00 C ATOM 481 CZ TYR A 31 16.018 3.780 -2.223 1.00 0.00 C ATOM 482 OH TYR A 31 16.961 3.834 -3.224 1.00 0.00 O ATOM 0 H TYR A 31 14.281 6.069 2.589 1.00 0.00 H new ATOM 0 HA TYR A 31 12.958 5.764 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.401 2.901 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.144 3.242 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 31 15.790 3.644 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.686 3.720 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.470 3.737 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.367 3.816 -3.575 1.00 0.00 H new ATOM 0 HH TYR A 31 16.542 3.609 -4.081 1.00 0.00 H new ATOM 492 N THR A 32 10.581 5.910 1.474 1.00 0.00 N ATOM 493 CA THR A 32 9.178 6.065 1.832 1.00 0.00 C ATOM 494 C THR A 32 8.302 5.298 0.850 1.00 0.00 C ATOM 495 O THR A 32 7.966 5.798 -0.225 1.00 0.00 O ATOM 496 CB THR A 32 8.756 7.546 1.847 1.00 0.00 C ATOM 497 OG1 THR A 32 7.335 7.653 1.702 1.00 0.00 O ATOM 498 CG2 THR A 32 9.450 8.316 0.734 1.00 0.00 C ATOM 0 H THR A 32 10.894 6.538 0.734 1.00 0.00 H new ATOM 0 HA THR A 32 9.048 5.664 2.837 1.00 0.00 H new ATOM 0 HB THR A 32 9.053 7.978 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.075 8.598 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.137 9.360 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.530 8.257 0.869 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.181 7.884 -0.230 1.00 0.00 H new ATOM 506 N CYS A 33 7.947 4.079 1.227 1.00 0.00 N ATOM 507 CA CYS A 33 7.133 3.209 0.388 1.00 0.00 C ATOM 508 C CYS A 33 5.821 3.868 -0.037 1.00 0.00 C ATOM 509 O CYS A 33 5.032 4.332 0.786 1.00 0.00 O ATOM 510 CB CYS A 33 6.845 1.903 1.128 1.00 0.00 C ATOM 511 SG CYS A 33 8.344 0.994 1.624 1.00 0.00 S ATOM 0 H CYS A 33 8.214 3.665 2.120 1.00 0.00 H new ATOM 0 HA CYS A 33 7.700 3.007 -0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.254 2.123 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.236 1.262 0.491 1.00 0.00 H new ATOM 516 N LEU A 34 5.648 3.913 -1.360 1.00 0.00 N ATOM 517 CA LEU A 34 4.462 4.502 -1.985 1.00 0.00 C ATOM 518 C LEU A 34 3.210 4.230 -1.152 1.00 0.00 C ATOM 519 O LEU A 34 2.907 3.083 -0.841 1.00 0.00 O ATOM 520 CB LEU A 34 4.280 3.956 -3.401 1.00 0.00 C ATOM 521 CG LEU A 34 5.402 4.300 -4.383 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.062 3.794 -5.776 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.657 5.800 -4.405 1.00 0.00 C ATOM 0 H LEU A 34 6.325 3.543 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 34 4.610 5.581 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.188 2.871 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.340 4.336 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 34 6.314 3.805 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.870 4.047 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.934 2.712 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.138 4.260 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.458 6.023 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.749 6.319 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.947 6.134 -3.409 1.00 0.00 H new ATOM 535 N PRO A 35 2.458 5.293 -0.810 1.00 0.00 N ATOM 536 CA PRO A 35 1.245 5.208 0.023 1.00 0.00 C ATOM 537 C PRO A 35 0.321 4.025 -0.273 1.00 0.00 C ATOM 538 O PRO A 35 -0.515 3.676 0.562 1.00 0.00 O ATOM 539 CB PRO A 35 0.535 6.522 -0.282 1.00 0.00 C ATOM 540 CG PRO A 35 1.640 7.482 -0.549 1.00 0.00 C ATOM 541 CD PRO A 35 2.730 6.688 -1.222 1.00 0.00 C ATOM 0 HA PRO A 35 1.514 5.048 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.126 6.427 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.080 6.846 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.301 8.298 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.999 7.930 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.694 6.799 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.719 7.014 -0.900 1.00 0.00 H new ATOM 549 N GLY A 36 0.454 3.405 -1.438 1.00 0.00 N ATOM 550 CA GLY A 36 -0.409 2.284 -1.783 1.00 0.00 C ATOM 551 C GLY A 36 0.007 0.953 -1.177 1.00 0.00 C ATOM 552 O GLY A 36 -0.662 -0.059 -1.390 1.00 0.00 O ATOM 0 H GLY A 36 1.140 3.654 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.425 2.513 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.433 2.182 -2.868 1.00 0.00 H new ATOM 556 N TYR A 37 1.090 0.942 -0.411 1.00 0.00 N ATOM 557 CA TYR A 37 1.555 -0.285 0.217 1.00 0.00 C ATOM 558 C TYR A 37 0.941 -0.436 1.599 1.00 0.00 C ATOM 559 O TYR A 37 0.637 0.559 2.258 1.00 0.00 O ATOM 560 CB TYR A 37 3.076 -0.266 0.344 1.00 0.00 C ATOM 561 CG TYR A 37 3.551 0.520 1.543 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.310 1.882 1.640 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.218 -0.105 2.583 1.00 0.00 C ATOM 564 CE1 TYR A 37 3.727 2.603 2.743 1.00 0.00 C ATOM 565 CE2 TYR A 37 4.636 0.606 3.693 1.00 0.00 C ATOM 566 CZ TYR A 37 4.389 1.961 3.767 1.00 0.00 C ATOM 567 OH TYR A 37 4.803 2.675 4.868 1.00 0.00 O ATOM 0 H TYR A 37 1.659 1.764 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 37 1.252 -1.126 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.443 -1.290 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.507 0.163 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.788 2.388 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.415 -1.165 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.535 3.664 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.153 0.103 4.497 1.00 0.00 H new ATOM 0 HH TYR A 37 5.253 2.074 5.498 1.00 0.00 H new ATOM 577 N VAL A 38 0.749 -1.672 2.040 1.00 0.00 N ATOM 578 CA VAL A 38 0.207 -1.973 3.352 1.00 0.00 C ATOM 579 C VAL A 38 1.294 -2.634 4.181 1.00 0.00 C ATOM 580 O VAL A 38 2.481 -2.390 3.961 1.00 0.00 O ATOM 581 CB VAL A 38 -1.017 -2.899 3.242 1.00 0.00 C ATOM 582 CG1 VAL A 38 -2.072 -2.261 2.355 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.612 -4.259 2.701 1.00 0.00 C ATOM 0 H VAL A 38 0.969 -2.501 1.488 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.120 -1.050 3.830 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.438 -3.044 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.935 -2.923 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.381 -1.308 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.658 -2.094 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.491 -4.899 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.170 -4.140 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.116 -4.715 3.372 1.00 0.00 H new ATOM 593 N ARG A 39 0.903 -3.466 5.133 1.00 0.00 N ATOM 594 CA ARG A 39 1.885 -4.130 5.978 1.00 0.00 C ATOM 595 C ARG A 39 1.661 -5.634 6.098 1.00 0.00 C ATOM 596 O ARG A 39 0.554 -6.106 6.353 1.00 0.00 O ATOM 597 CB ARG A 39 1.899 -3.494 7.368 1.00 0.00 C ATOM 598 CG ARG A 39 2.358 -2.045 7.370 1.00 0.00 C ATOM 599 CD ARG A 39 2.395 -1.478 8.779 1.00 0.00 C ATOM 600 NE ARG A 39 2.859 -0.094 8.800 1.00 0.00 N ATOM 601 CZ ARG A 39 3.024 0.611 9.915 1.00 0.00 C ATOM 602 NH1 ARG A 39 2.748 0.067 11.093 1.00 0.00 N ATOM 603 NH2 ARG A 39 3.462 1.861 9.854 1.00 0.00 N ATOM 0 H ARG A 39 -0.069 -3.696 5.339 1.00 0.00 H new ATOM 0 HA ARG A 39 2.852 -3.994 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.897 -3.550 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.554 -4.075 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.349 -1.975 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.686 -1.448 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.399 -1.533 9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.051 -2.090 9.399 1.00 0.00 H new ATOM 0 HE ARG A 39 3.068 0.357 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.409 -0.894 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.875 0.609 11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.673 2.284 8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.588 2.400 10.711 1.00 0.00 H new ATOM 617 N SER A 40 2.752 -6.370 5.907 1.00 0.00 N ATOM 618 CA SER A 40 2.767 -7.824 6.018 1.00 0.00 C ATOM 619 C SER A 40 4.072 -8.239 6.682 1.00 0.00 C ATOM 620 O SER A 40 4.173 -9.293 7.308 1.00 0.00 O ATOM 621 CB SER A 40 2.636 -8.481 4.644 1.00 0.00 C ATOM 622 OG SER A 40 2.695 -9.894 4.745 1.00 0.00 O ATOM 0 H SER A 40 3.659 -5.969 5.668 1.00 0.00 H new ATOM 0 HA SER A 40 1.918 -8.152 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.693 -8.185 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.433 -8.127 3.991 1.00 0.00 H new ATOM 0 HG SER A 40 2.607 -10.290 3.853 1.00 0.00 H new ATOM 628 N HIS A 41 5.066 -7.372 6.523 1.00 0.00 N ATOM 629 CA HIS A 41 6.387 -7.562 7.102 1.00 0.00 C ATOM 630 C HIS A 41 6.839 -6.246 7.723 1.00 0.00 C ATOM 631 O HIS A 41 7.672 -6.218 8.630 1.00 0.00 O ATOM 632 CB HIS A 41 7.387 -8.020 6.039 1.00 0.00 C ATOM 633 CG HIS A 41 7.121 -9.399 5.521 1.00 0.00 C ATOM 634 ND1 HIS A 41 6.393 -9.645 4.376 1.00 0.00 N ATOM 635 CD2 HIS A 41 7.492 -10.611 5.997 1.00 0.00 C ATOM 636 CE1 HIS A 41 6.326 -10.948 4.171 1.00 0.00 C ATOM 637 NE2 HIS A 41 6.985 -11.556 5.140 1.00 0.00 N ATOM 0 H HIS A 41 4.975 -6.511 5.984 1.00 0.00 H new ATOM 0 HA HIS A 41 6.340 -8.337 7.867 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.366 -7.318 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.392 -7.986 6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.077 -10.799 6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.819 -11.433 3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.099 -12.565 5.236 1.00 0.00 H new ATOM 646 N SER A 42 6.269 -5.157 7.204 1.00 0.00 N ATOM 647 CA SER A 42 6.552 -3.806 7.682 1.00 0.00 C ATOM 648 C SER A 42 7.986 -3.369 7.388 1.00 0.00 C ATOM 649 O SER A 42 8.328 -2.198 7.557 1.00 0.00 O ATOM 650 CB SER A 42 6.275 -3.710 9.180 1.00 0.00 C ATOM 651 OG SER A 42 5.163 -4.508 9.547 1.00 0.00 O ATOM 0 H SER A 42 5.596 -5.189 6.438 1.00 0.00 H new ATOM 0 HA SER A 42 5.891 -3.130 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.156 -4.030 9.737 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.086 -2.671 9.452 1.00 0.00 H new ATOM 0 HG SER A 42 5.008 -4.430 10.512 1.00 0.00 H new ATOM 657 N THR A 43 8.819 -4.304 6.951 1.00 0.00 N ATOM 658 CA THR A 43 10.205 -4.003 6.635 1.00 0.00 C ATOM 659 C THR A 43 10.304 -2.980 5.507 1.00 0.00 C ATOM 660 O THR A 43 9.397 -2.866 4.682 1.00 0.00 O ATOM 661 CB THR A 43 10.962 -5.276 6.228 1.00 0.00 C ATOM 662 OG1 THR A 43 10.275 -5.936 5.156 1.00 0.00 O ATOM 663 CG2 THR A 43 11.104 -6.227 7.408 1.00 0.00 C ATOM 0 H THR A 43 8.556 -5.279 6.808 1.00 0.00 H new ATOM 0 HA THR A 43 10.658 -3.585 7.534 1.00 0.00 H new ATOM 0 HB THR A 43 11.959 -4.985 5.896 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.766 -6.745 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.644 -7.120 7.093 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.655 -5.734 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.115 -6.509 7.769 1.00 0.00 H new ATOM 671 N GLN A 44 11.408 -2.236 5.483 1.00 0.00 N ATOM 672 CA GLN A 44 11.632 -1.221 4.454 1.00 0.00 C ATOM 673 C GLN A 44 12.992 -0.549 4.634 1.00 0.00 C ATOM 674 O GLN A 44 13.079 0.572 5.137 1.00 0.00 O ATOM 675 CB GLN A 44 10.519 -0.168 4.489 1.00 0.00 C ATOM 676 CG GLN A 44 10.302 0.452 5.861 1.00 0.00 C ATOM 677 CD GLN A 44 9.290 1.581 5.837 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.644 2.742 5.635 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.023 1.244 6.046 1.00 0.00 N ATOM 0 H GLN A 44 12.162 -2.317 6.165 1.00 0.00 H new ATOM 0 HA GLN A 44 11.619 -1.718 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.757 0.622 3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.588 -0.626 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.965 -0.318 6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.252 0.829 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.775 0.268 6.209 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.297 1.961 6.043 1.00 0.00 H new ATOM 688 N THR A 45 14.053 -1.234 4.212 1.00 0.00 N ATOM 689 CA THR A 45 15.406 -0.701 4.339 1.00 0.00 C ATOM 690 C THR A 45 16.346 -1.290 3.293 1.00 0.00 C ATOM 691 O THR A 45 16.207 -2.447 2.896 1.00 0.00 O ATOM 692 CB THR A 45 15.992 -0.973 5.738 1.00 0.00 C ATOM 693 OG1 THR A 45 15.746 -2.332 6.116 1.00 0.00 O ATOM 694 CG2 THR A 45 15.393 -0.033 6.773 1.00 0.00 C ATOM 0 H THR A 45 14.001 -2.157 3.780 1.00 0.00 H new ATOM 0 HA THR A 45 15.325 0.375 4.183 1.00 0.00 H new ATOM 0 HB THR A 45 17.067 -0.797 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.123 -2.498 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.824 -0.247 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.612 0.999 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.313 -0.176 6.813 1.00 0.00 H new ATOM 702 N LEU A 46 17.302 -0.479 2.854 1.00 0.00 N ATOM 703 CA LEU A 46 18.283 -0.900 1.859 1.00 0.00 C ATOM 704 C LEU A 46 19.684 -0.837 2.457 1.00 0.00 C ATOM 705 O LEU A 46 20.222 0.244 2.688 1.00 0.00 O ATOM 706 CB LEU A 46 18.203 -0.017 0.611 1.00 0.00 C ATOM 707 CG LEU A 46 17.397 -0.604 -0.553 1.00 0.00 C ATOM 708 CD1 LEU A 46 15.970 -0.902 -0.121 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.409 0.346 -1.744 1.00 0.00 C ATOM 0 H LEU A 46 17.419 0.482 3.175 1.00 0.00 H new ATOM 0 HA LEU A 46 18.063 -1.927 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.763 0.940 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.216 0.187 0.264 1.00 0.00 H new ATOM 0 HG LEU A 46 17.865 -1.541 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.415 -1.318 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.980 -1.621 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.490 0.019 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.832 -0.087 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.967 1.299 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.436 0.507 -2.071 1.00 0.00 H new ATOM 721 N THR A 47 20.266 -2.005 2.711 1.00 0.00 N ATOM 722 CA THR A 47 21.606 -2.083 3.280 1.00 0.00 C ATOM 723 C THR A 47 22.580 -2.655 2.267 1.00 0.00 C ATOM 724 O THR A 47 22.211 -3.501 1.452 1.00 0.00 O ATOM 725 CB THR A 47 21.634 -2.976 4.536 1.00 0.00 C ATOM 726 OG1 THR A 47 20.548 -2.638 5.407 1.00 0.00 O ATOM 727 CG2 THR A 47 22.952 -2.822 5.280 1.00 0.00 C ATOM 0 H THR A 47 19.830 -2.910 2.532 1.00 0.00 H new ATOM 0 HA THR A 47 21.897 -1.069 3.553 1.00 0.00 H new ATOM 0 HB THR A 47 21.532 -4.013 4.217 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.806 -1.881 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 47 22.948 -3.462 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 47 23.775 -3.111 4.626 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.078 -1.783 5.585 1.00 0.00 H new ATOM 735 N CYS A 48 23.827 -2.200 2.310 1.00 0.00 N ATOM 736 CA CYS A 48 24.824 -2.707 1.398 1.00 0.00 C ATOM 737 C CYS A 48 25.319 -4.045 1.918 1.00 0.00 C ATOM 738 O CYS A 48 25.832 -4.148 3.031 1.00 0.00 O ATOM 739 CB CYS A 48 25.966 -1.711 1.247 1.00 0.00 C ATOM 740 SG CYS A 48 25.796 -0.605 -0.187 1.00 0.00 S ATOM 0 H CYS A 48 24.161 -1.490 2.961 1.00 0.00 H new ATOM 0 HA CYS A 48 24.389 -2.847 0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.031 -1.108 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.904 -2.259 1.161 1.00 0.00 H new ATOM 745 N ASN A 49 25.140 -5.065 1.100 1.00 0.00 N ATOM 746 CA ASN A 49 25.609 -6.395 1.441 1.00 0.00 C ATOM 747 C ASN A 49 26.914 -6.666 0.700 1.00 0.00 C ATOM 748 O ASN A 49 27.378 -5.822 -0.068 1.00 0.00 O ATOM 749 CB ASN A 49 24.554 -7.442 1.084 1.00 0.00 C ATOM 750 CG ASN A 49 24.060 -7.295 -0.338 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.508 -8.001 -1.238 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.130 -6.374 -0.548 1.00 0.00 N ATOM 0 H ASN A 49 24.674 -4.998 0.195 1.00 0.00 H new ATOM 0 HA ASN A 49 25.786 -6.456 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 49 24.974 -8.439 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.712 -7.355 1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 49 22.758 -6.230 -1.487 1.00 0.00 H new ATOM 0 HD22 ASN A 49 22.786 -5.810 0.229 1.00 0.00 H new ATOM 759 N SER A 50 27.512 -7.827 0.925 1.00 0.00 N ATOM 760 CA SER A 50 28.764 -8.167 0.255 1.00 0.00 C ATOM 761 C SER A 50 28.469 -8.747 -1.124 1.00 0.00 C ATOM 762 O SER A 50 28.743 -9.914 -1.407 1.00 0.00 O ATOM 763 CB SER A 50 29.572 -9.152 1.097 1.00 0.00 C ATOM 764 OG SER A 50 30.760 -9.540 0.429 1.00 0.00 O ATOM 0 H SER A 50 27.158 -8.544 1.558 1.00 0.00 H new ATOM 0 HA SER A 50 29.360 -7.262 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 50 29.822 -8.696 2.055 1.00 0.00 H new ATOM 0 HB3 SER A 50 28.967 -10.033 1.311 1.00 0.00 H new ATOM 0 HG SER A 50 30.533 -9.948 -0.432 1.00 0.00 H new ATOM 770 N ASP A 51 27.897 -7.899 -1.970 1.00 0.00 N ATOM 771 CA ASP A 51 27.529 -8.254 -3.336 1.00 0.00 C ATOM 772 C ASP A 51 27.568 -7.015 -4.220 1.00 0.00 C ATOM 773 O ASP A 51 27.273 -7.073 -5.414 1.00 0.00 O ATOM 774 CB ASP A 51 26.123 -8.843 -3.367 1.00 0.00 C ATOM 775 CG ASP A 51 25.817 -9.541 -4.678 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.389 -8.856 -5.631 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.006 -10.773 -4.752 1.00 0.00 O ATOM 0 H ASP A 51 27.673 -6.935 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 51 28.239 -8.994 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.011 -9.552 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.395 -8.048 -3.203 1.00 0.00 H new ATOM 782 N GLY A 52 27.943 -5.894 -3.612 1.00 0.00 N ATOM 783 CA GLY A 52 27.988 -4.639 -4.338 1.00 0.00 C ATOM 784 C GLY A 52 26.619 -4.214 -4.825 1.00 0.00 C ATOM 785 O GLY A 52 26.479 -3.398 -5.736 1.00 0.00 O ATOM 0 H GLY A 52 28.216 -5.833 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.400 -3.862 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.661 -4.737 -5.190 1.00 0.00 H new ATOM 789 N GLU A 53 25.612 -4.799 -4.188 1.00 0.00 N ATOM 790 CA GLU A 53 24.224 -4.489 -4.494 1.00 0.00 C ATOM 791 C GLU A 53 23.422 -4.300 -3.211 1.00 0.00 C ATOM 792 O GLU A 53 23.920 -4.555 -2.116 1.00 0.00 O ATOM 793 CB GLU A 53 23.599 -5.601 -5.340 1.00 0.00 C ATOM 794 CG GLU A 53 23.081 -6.775 -4.523 1.00 0.00 C ATOM 795 CD GLU A 53 22.472 -7.862 -5.386 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.615 -7.535 -6.234 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.846 -9.040 -5.212 1.00 0.00 O ATOM 0 H GLU A 53 25.734 -5.495 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 53 24.201 -3.559 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.777 -5.184 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.341 -5.964 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.900 -7.196 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.334 -6.418 -3.814 1.00 0.00 H new ATOM 804 N TRP A 54 22.186 -3.842 -3.353 1.00 0.00 N ATOM 805 CA TRP A 54 21.311 -3.629 -2.220 1.00 0.00 C ATOM 806 C TRP A 54 20.386 -4.822 -2.022 1.00 0.00 C ATOM 807 O TRP A 54 19.531 -5.123 -2.855 1.00 0.00 O ATOM 808 CB TRP A 54 20.493 -2.365 -2.453 1.00 0.00 C ATOM 809 CG TRP A 54 21.340 -1.136 -2.586 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.721 -0.518 -3.743 1.00 0.00 C ATOM 811 CD2 TRP A 54 21.919 -0.385 -1.520 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.501 0.578 -3.455 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.636 0.680 -2.094 1.00 0.00 C ATOM 814 CE3 TRP A 54 21.895 -0.512 -0.134 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.327 1.614 -1.323 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.578 0.411 0.633 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.285 1.463 0.037 1.00 0.00 C ATOM 0 H TRP A 54 21.768 -3.610 -4.254 1.00 0.00 H new ATOM 0 HA TRP A 54 21.914 -3.516 -1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.895 -2.487 -3.356 1.00 0.00 H new ATOM 0 HB3 TRP A 54 19.796 -2.232 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.450 -0.842 -4.737 1.00 0.00 H new ATOM 0 HE1 TRP A 54 22.912 1.211 -4.141 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.351 -1.319 0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 23.874 2.425 -1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 22.567 0.320 1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 54 23.808 2.170 0.664 1.00 0.00 H new ATOM 828 N VAL A 55 20.584 -5.490 -0.891 1.00 0.00 N ATOM 829 CA VAL A 55 19.803 -6.658 -0.516 1.00 0.00 C ATOM 830 C VAL A 55 18.699 -6.212 0.434 1.00 0.00 C ATOM 831 O VAL A 55 18.928 -5.323 1.255 1.00 0.00 O ATOM 832 CB VAL A 55 20.691 -7.715 0.174 1.00 0.00 C ATOM 833 CG1 VAL A 55 19.950 -8.401 1.308 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.193 -8.735 -0.833 1.00 0.00 C ATOM 0 H VAL A 55 21.295 -5.233 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 55 19.376 -7.111 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 55 21.552 -7.200 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.602 -9.140 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.653 -7.660 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.062 -8.897 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.817 -9.471 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.344 -9.237 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.779 -8.230 -1.601 1.00 0.00 H new ATOM 844 N TYR A 56 17.516 -6.821 0.351 1.00 0.00 N ATOM 845 CA TYR A 56 16.439 -6.436 1.264 1.00 0.00 C ATOM 846 C TYR A 56 15.120 -7.149 0.976 1.00 0.00 C ATOM 847 O TYR A 56 14.086 -6.807 1.552 1.00 0.00 O ATOM 848 CB TYR A 56 16.205 -4.926 1.181 1.00 0.00 C ATOM 849 CG TYR A 56 15.922 -4.448 -0.228 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.625 -4.413 -0.722 1.00 0.00 C ATOM 851 CD2 TYR A 56 16.954 -4.046 -1.068 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.363 -3.989 -2.011 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.700 -3.623 -2.359 1.00 0.00 C ATOM 854 CZ TYR A 56 15.403 -3.597 -2.825 1.00 0.00 C ATOM 855 OH TYR A 56 15.147 -3.182 -4.110 1.00 0.00 O ATOM 0 H TYR A 56 17.283 -7.558 -0.314 1.00 0.00 H new ATOM 0 HA TYR A 56 16.762 -6.732 2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.367 -4.658 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.082 -4.406 1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.807 -4.722 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.971 -4.065 -0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.348 -3.965 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.513 -3.315 -2.999 1.00 0.00 H new ATOM 0 HH TYR A 56 15.989 -2.939 -4.549 1.00 0.00 H new ATOM 865 N ASN A 57 15.165 -8.149 0.099 1.00 0.00 N ATOM 866 CA ASN A 57 13.969 -8.911 -0.260 1.00 0.00 C ATOM 867 C ASN A 57 12.810 -7.970 -0.576 1.00 0.00 C ATOM 868 O ASN A 57 13.018 -6.785 -0.832 1.00 0.00 O ATOM 869 CB ASN A 57 13.575 -9.852 0.882 1.00 0.00 C ATOM 870 CG ASN A 57 14.559 -10.992 1.078 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.173 -12.096 1.462 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.836 -10.733 0.820 1.00 0.00 N ATOM 0 H ASN A 57 16.015 -8.451 -0.376 1.00 0.00 H new ATOM 0 HA ASN A 57 14.194 -9.503 -1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.501 -9.280 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.586 -10.264 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.538 -11.463 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.114 -9.804 0.503 1.00 0.00 H new ATOM 879 N THR A 58 11.592 -8.498 -0.577 1.00 0.00 N ATOM 880 CA THR A 58 10.418 -7.680 -0.843 1.00 0.00 C ATOM 881 C THR A 58 9.881 -7.103 0.461 1.00 0.00 C ATOM 882 O THR A 58 9.024 -7.702 1.112 1.00 0.00 O ATOM 883 CB THR A 58 9.304 -8.482 -1.541 1.00 0.00 C ATOM 884 OG1 THR A 58 9.856 -9.262 -2.608 1.00 0.00 O ATOM 885 CG2 THR A 58 8.236 -7.548 -2.091 1.00 0.00 C ATOM 0 H THR A 58 11.393 -9.482 -0.398 1.00 0.00 H new ATOM 0 HA THR A 58 10.725 -6.876 -1.511 1.00 0.00 H new ATOM 0 HB THR A 58 8.847 -9.145 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.141 -9.770 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.458 -8.133 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.799 -6.974 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.686 -6.866 -2.813 1.00 0.00 H new ATOM 893 N PHE A 59 10.404 -5.943 0.844 1.00 0.00 N ATOM 894 CA PHE A 59 9.997 -5.283 2.080 1.00 0.00 C ATOM 895 C PHE A 59 8.515 -4.898 2.057 1.00 0.00 C ATOM 896 O PHE A 59 7.646 -5.770 2.050 1.00 0.00 O ATOM 897 CB PHE A 59 10.881 -4.053 2.338 1.00 0.00 C ATOM 898 CG PHE A 59 11.162 -3.202 1.123 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.252 -3.113 0.077 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.342 -2.483 1.035 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.517 -2.327 -1.027 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.611 -1.696 -0.069 1.00 0.00 C ATOM 903 CZ PHE A 59 11.697 -1.617 -1.099 1.00 0.00 C ATOM 0 H PHE A 59 11.114 -5.438 0.314 1.00 0.00 H new ATOM 0 HA PHE A 59 10.131 -5.990 2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.401 -3.432 3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.830 -4.388 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.325 -3.666 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.061 -2.538 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.801 -2.268 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.537 -1.143 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.905 -1.000 -1.961 1.00 0.00 H new ATOM 913 N CYS A 60 8.233 -3.593 2.063 1.00 0.00 N ATOM 914 CA CYS A 60 6.859 -3.100 2.041 1.00 0.00 C ATOM 915 C CYS A 60 5.999 -3.919 1.091 1.00 0.00 C ATOM 916 O CYS A 60 6.335 -4.082 -0.082 1.00 0.00 O ATOM 917 CB CYS A 60 6.828 -1.633 1.618 1.00 0.00 C ATOM 918 SG CYS A 60 7.637 -0.504 2.796 1.00 0.00 S ATOM 0 H CYS A 60 8.941 -2.859 2.083 1.00 0.00 H new ATOM 0 HA CYS A 60 6.455 -3.196 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.312 -1.536 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.790 -1.325 1.489 1.00 0.00 H new ATOM 923 N ILE A 61 4.891 -4.435 1.603 1.00 0.00 N ATOM 924 CA ILE A 61 3.991 -5.237 0.794 1.00 0.00 C ATOM 925 C ILE A 61 2.951 -4.366 0.101 1.00 0.00 C ATOM 926 O ILE A 61 1.891 -4.070 0.652 1.00 0.00 O ATOM 927 CB ILE A 61 3.293 -6.327 1.630 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.329 -7.134 0.757 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.563 -5.709 2.813 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.083 -8.537 1.265 1.00 0.00 C ATOM 0 H ILE A 61 4.596 -4.312 2.572 1.00 0.00 H new ATOM 0 HA ILE A 61 4.599 -5.728 0.034 1.00 0.00 H new ATOM 0 HB ILE A 61 4.053 -7.005 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.377 -6.606 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.728 -7.188 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.076 -6.495 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.277 -5.182 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.812 -5.007 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.391 -9.050 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.026 -9.082 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.655 -8.492 2.266 1.00 0.00 H new ATOM 942 N TYR A 62 3.275 -3.947 -1.113 1.00 0.00 N ATOM 943 CA TYR A 62 2.382 -3.112 -1.894 1.00 0.00 C ATOM 944 C TYR A 62 1.253 -3.938 -2.487 1.00 0.00 C ATOM 945 O TYR A 62 1.469 -4.763 -3.375 1.00 0.00 O ATOM 946 CB TYR A 62 3.157 -2.406 -3.008 1.00 0.00 C ATOM 947 CG TYR A 62 2.491 -1.143 -3.496 1.00 0.00 C ATOM 948 CD1 TYR A 62 1.115 -1.077 -3.669 1.00 0.00 C ATOM 949 CD2 TYR A 62 3.241 -0.006 -3.759 1.00 0.00 C ATOM 950 CE1 TYR A 62 0.507 0.084 -4.093 1.00 0.00 C ATOM 951 CE2 TYR A 62 2.640 1.161 -4.174 1.00 0.00 C ATOM 952 CZ TYR A 62 1.275 1.202 -4.341 1.00 0.00 C ATOM 953 OH TYR A 62 0.675 2.374 -4.728 1.00 0.00 O ATOM 0 H TYR A 62 4.154 -4.174 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 62 1.949 -2.362 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.157 -2.164 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.278 -3.091 -3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.512 -1.950 -3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.314 -0.037 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.564 0.118 -4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.237 2.040 -4.367 1.00 0.00 H new ATOM 0 HH TYR A 62 1.359 3.063 -4.861 1.00 0.00 H new ATOM 963 N LYS A 63 0.044 -3.706 -1.988 1.00 0.00 N ATOM 964 CA LYS A 63 -1.138 -4.407 -2.461 1.00 0.00 C ATOM 965 C LYS A 63 -2.396 -3.638 -2.083 1.00 0.00 C ATOM 966 O LYS A 63 -2.603 -3.306 -0.916 1.00 0.00 O ATOM 967 CB LYS A 63 -1.190 -5.813 -1.859 1.00 0.00 C ATOM 968 CG LYS A 63 -1.114 -5.822 -0.338 1.00 0.00 C ATOM 969 CD LYS A 63 -1.267 -7.227 0.222 1.00 0.00 C ATOM 970 CE LYS A 63 -1.048 -7.263 1.724 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.954 -8.656 2.240 1.00 0.00 N ATOM 0 H LYS A 63 -0.141 -3.029 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.085 -4.484 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.113 -6.301 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.366 -6.403 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.159 -5.404 -0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.895 -5.180 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.263 -7.604 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.554 -7.892 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.134 -6.723 1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.868 -6.746 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.337 -8.675 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.902 -8.994 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.557 -9.273 1.503 1.00 0.00 H new ATOM 985 N ARG A 64 -3.233 -3.351 -3.070 1.00 0.00 N ATOM 986 CA ARG A 64 -4.471 -2.626 -2.824 1.00 0.00 C ATOM 987 C ARG A 64 -5.671 -3.430 -3.313 1.00 0.00 C ATOM 988 O ARG A 64 -5.544 -4.601 -3.661 1.00 0.00 O ATOM 989 CB ARG A 64 -4.431 -1.255 -3.500 1.00 0.00 C ATOM 990 CG ARG A 64 -3.549 -0.254 -2.772 1.00 0.00 C ATOM 991 CD ARG A 64 -2.792 0.634 -3.744 1.00 0.00 C ATOM 992 NE ARG A 64 -3.689 1.362 -4.636 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.277 2.027 -5.713 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.990 2.045 -6.033 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.154 2.671 -6.471 1.00 0.00 N ATOM 0 H ARG A 64 -3.078 -3.608 -4.045 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.575 -2.478 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.070 -1.371 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.444 -0.858 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.163 0.364 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.841 -0.786 -2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.182 1.344 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.110 0.024 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.686 1.361 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.313 1.549 -5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.677 2.555 -6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.145 2.657 -6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.838 3.180 -7.296 1.00 0.00 H new ATOM 1009 N CYS A 65 -6.832 -2.792 -3.342 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.055 -3.448 -3.774 1.00 0.00 C ATOM 1011 C CYS A 65 -8.745 -2.599 -4.826 1.00 0.00 C ATOM 1012 O CYS A 65 -8.910 -1.393 -4.641 1.00 0.00 O ATOM 1013 CB CYS A 65 -8.987 -3.666 -2.578 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.178 -4.426 -1.132 1.00 0.00 S ATOM 0 H CYS A 65 -6.952 -1.816 -3.070 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.807 -4.418 -4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.410 -2.706 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.818 -4.298 -2.890 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.143 -3.215 -5.934 1.00 0.00 N ATOM 1020 CA ARG A 66 -9.802 -2.468 -6.992 1.00 0.00 C ATOM 1021 C ARG A 66 -11.040 -1.772 -6.447 1.00 0.00 C ATOM 1022 O ARG A 66 -11.771 -2.321 -5.624 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.160 -3.370 -8.178 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.012 -2.683 -9.234 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.294 -1.487 -9.839 1.00 0.00 C ATOM 1026 NE ARG A 66 -9.223 -1.891 -10.746 1.00 0.00 N ATOM 1027 CZ ARG A 66 -8.492 -1.035 -11.457 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -8.716 0.269 -11.363 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -7.539 -1.483 -12.262 1.00 0.00 N ATOM 0 H ARG A 66 -9.023 -4.211 -6.119 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.107 -1.713 -7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.241 -3.727 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.692 -4.247 -7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.262 -3.395 -10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.952 -2.357 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.011 -0.869 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.880 -0.871 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.023 -2.887 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.449 0.617 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.155 0.923 -11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.365 -2.485 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.980 -0.826 -12.806 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.265 -0.563 -6.929 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.411 0.216 -6.489 1.00 0.00 C ATOM 1045 C HIS A 67 -13.708 -0.462 -6.927 1.00 0.00 C ATOM 1046 O HIS A 67 -13.936 -0.647 -8.122 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.342 1.631 -7.064 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.232 2.604 -6.359 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.367 3.142 -6.931 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.148 3.138 -5.120 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -14.940 3.966 -6.072 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.220 3.981 -4.965 1.00 0.00 N ATOM 0 H HIS A 67 -10.675 -0.101 -7.620 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.393 0.277 -5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.313 1.987 -7.011 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.614 1.600 -8.119 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.380 2.938 -4.388 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -15.844 4.531 -6.246 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.427 4.530 -4.131 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.576 -0.850 -5.969 1.00 0.00 N ATOM 1062 CA PRO A 68 -15.848 -1.501 -6.290 1.00 0.00 C ATOM 1063 C PRO A 68 -16.646 -0.677 -7.289 1.00 0.00 C ATOM 1064 O PRO A 68 -17.584 -1.176 -7.910 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.577 -1.611 -4.945 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.812 -0.745 -3.994 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.403 -0.671 -4.519 1.00 0.00 C ATOM 0 HA PRO A 68 -15.708 -2.475 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.611 -1.277 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.604 -2.644 -4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.255 0.249 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.829 -1.165 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.935 0.285 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.772 -1.449 -4.090 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.267 0.584 -7.445 1.00 0.00 N ATOM 1076 CA GLY A 69 -16.965 1.459 -8.361 1.00 0.00 C ATOM 1077 C GLY A 69 -18.082 2.200 -7.666 1.00 0.00 C ATOM 1078 O GLY A 69 -18.616 1.734 -6.667 1.00 0.00 O ATOM 0 H GLY A 69 -15.486 1.016 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.263 2.174 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.371 0.875 -9.187 1.00 0.00 H new ATOM 1082 N GLU A 70 -18.411 3.363 -8.198 1.00 0.00 N ATOM 1083 CA GLU A 70 -19.474 4.203 -7.652 1.00 0.00 C ATOM 1084 C GLU A 70 -20.612 3.388 -7.045 1.00 0.00 C ATOM 1085 O GLU A 70 -21.016 2.350 -7.569 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.021 5.134 -8.734 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.115 6.067 -8.237 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.729 6.895 -9.349 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.139 7.935 -9.711 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.802 6.504 -9.856 1.00 0.00 O ATOM 0 H GLU A 70 -17.952 3.756 -9.020 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.032 4.791 -6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.202 5.730 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -20.412 4.533 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -21.896 5.480 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.702 6.733 -7.479 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.115 3.896 -5.930 1.00 0.00 N ATOM 1098 CA LEU A 71 -22.241 3.295 -5.231 1.00 0.00 C ATOM 1099 C LEU A 71 -23.477 4.118 -5.567 1.00 0.00 C ATOM 1100 O LEU A 71 -23.674 5.207 -5.029 1.00 0.00 O ATOM 1101 CB LEU A 71 -21.969 3.261 -3.719 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.199 3.130 -2.818 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.926 1.817 -3.064 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -22.808 3.257 -1.354 1.00 0.00 C ATOM 0 H LEU A 71 -20.753 4.739 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.395 2.263 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.299 2.427 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -21.438 4.173 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.881 3.943 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.795 1.754 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -24.251 1.770 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.254 0.984 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -23.697 3.161 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.098 2.471 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -22.348 4.231 -1.183 1.00 0.00 H new ATOM 1116 N ARG A 72 -24.298 3.599 -6.477 1.00 0.00 N ATOM 1117 CA ARG A 72 -25.499 4.314 -6.899 1.00 0.00 C ATOM 1118 C ARG A 72 -26.456 4.498 -5.733 1.00 0.00 C ATOM 1119 O ARG A 72 -26.829 3.549 -5.041 1.00 0.00 O ATOM 1120 CB ARG A 72 -26.186 3.628 -8.081 1.00 0.00 C ATOM 1121 CG ARG A 72 -27.452 4.334 -8.542 1.00 0.00 C ATOM 1122 CD ARG A 72 -28.066 3.651 -9.753 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.552 2.309 -9.439 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.942 1.432 -10.360 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -28.887 1.749 -11.645 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -29.384 0.235 -9.995 1.00 0.00 N ATOM 0 H ARG A 72 -24.156 2.697 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 72 -25.189 5.301 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.486 3.573 -8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.432 2.603 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -28.176 4.351 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.222 5.371 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.891 4.256 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -27.324 3.590 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.595 2.029 -8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -28.545 2.667 -11.930 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -29.186 1.075 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.425 -0.014 -9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -29.683 -0.436 -10.703 1.00 0.00 H new ATOM 1140 N ASN A 73 -26.826 5.764 -5.538 1.00 0.00 N ATOM 1141 CA ASN A 73 -27.697 6.195 -4.453 1.00 0.00 C ATOM 1142 C ASN A 73 -26.882 6.245 -3.169 1.00 0.00 C ATOM 1143 O ASN A 73 -27.428 6.427 -2.081 1.00 0.00 O ATOM 1144 CB ASN A 73 -28.922 5.288 -4.306 1.00 0.00 C ATOM 1145 CG ASN A 73 -29.686 5.127 -5.606 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.294 4.085 -5.856 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -29.660 6.157 -6.446 1.00 0.00 N ATOM 0 H ASN A 73 -26.522 6.528 -6.141 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.084 7.188 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -28.603 4.308 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -29.586 5.701 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -30.156 6.102 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -29.144 7.002 -6.201 1.00 0.00 H new ATOM 1154 N GLY A 74 -25.570 6.076 -3.306 1.00 0.00 N ATOM 1155 CA GLY A 74 -24.713 6.122 -2.139 1.00 0.00 C ATOM 1156 C GLY A 74 -23.456 6.947 -2.342 1.00 0.00 C ATOM 1157 O GLY A 74 -23.269 7.580 -3.383 1.00 0.00 O ATOM 0 H GLY A 74 -25.092 5.910 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.276 6.533 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -24.430 5.105 -1.866 1.00 0.00 H new ATOM 1161 N GLN A 75 -22.594 6.926 -1.331 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.346 7.684 -1.380 1.00 0.00 C ATOM 1163 C GLN A 75 -20.194 6.880 -0.782 1.00 0.00 C ATOM 1164 O GLN A 75 -19.881 7.017 0.401 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.500 9.014 -0.636 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.348 9.980 -0.869 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.338 10.556 -2.272 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.771 9.910 -3.227 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -19.846 11.782 -2.405 1.00 0.00 N ATOM 0 H GLN A 75 -22.734 6.396 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.116 7.887 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.430 9.489 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.586 8.815 0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.411 10.794 -0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -19.405 9.465 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -19.497 12.283 -1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -19.817 12.223 -3.324 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.576 6.028 -1.602 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.460 5.189 -1.169 1.00 0.00 C ATOM 1180 C VAL A 76 -17.409 5.993 -0.413 1.00 0.00 C ATOM 1181 O VAL A 76 -16.741 6.851 -0.990 1.00 0.00 O ATOM 1182 CB VAL A 76 -17.774 4.508 -2.370 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -16.869 3.384 -1.893 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -18.804 3.982 -3.356 1.00 0.00 C ATOM 0 H VAL A 76 -19.834 5.901 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.884 4.434 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.165 5.252 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.391 2.912 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.105 3.789 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.461 2.644 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.295 3.506 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.444 3.253 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.412 4.809 -3.723 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.263 5.716 0.877 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.273 6.414 1.685 1.00 0.00 C ATOM 1196 C GLU A 77 -14.884 5.834 1.444 1.00 0.00 C ATOM 1197 O GLU A 77 -14.527 4.798 2.003 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.622 6.325 3.171 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.614 7.027 4.066 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.530 8.516 3.796 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.349 9.271 4.361 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.644 8.929 3.018 1.00 0.00 O ATOM 0 H GLU A 77 -17.812 5.020 1.381 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.276 7.463 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.608 6.761 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.686 5.276 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.886 6.866 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.631 6.579 3.920 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.106 6.509 0.605 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.756 6.060 0.284 1.00 0.00 C ATOM 1211 C ILE A 78 -11.728 7.124 0.654 1.00 0.00 C ATOM 1212 O ILE A 78 -12.044 8.313 0.714 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.617 5.688 -1.213 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -12.373 4.187 -1.366 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.494 6.471 -1.882 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.625 3.352 -1.234 1.00 0.00 C ATOM 0 H ILE A 78 -14.387 7.369 0.135 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.566 5.163 0.874 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.552 5.952 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.922 3.999 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.652 3.866 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.426 6.184 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.702 7.539 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.550 6.251 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.374 2.298 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -14.066 3.510 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.340 3.644 -2.003 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.497 6.687 0.899 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.422 7.597 1.272 1.00 0.00 C ATOM 1230 C LYS A 79 -8.082 6.881 1.278 1.00 0.00 C ATOM 1231 O LYS A 79 -7.074 7.414 0.814 1.00 0.00 O ATOM 1232 CB LYS A 79 -9.688 8.194 2.661 1.00 0.00 C ATOM 1233 CG LYS A 79 -9.773 7.164 3.782 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.006 6.281 3.658 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.717 6.126 4.991 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.878 5.198 4.899 1.00 0.00 N ATOM 0 H LYS A 79 -10.220 5.707 0.846 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.389 8.397 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.895 8.904 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.621 8.756 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.879 6.541 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.790 7.677 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.691 6.711 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.716 5.300 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.014 5.754 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.059 7.102 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.662 5.564 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.184 5.122 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.600 4.259 5.248 1.00 0.00 H new ATOM 1250 N THR A 80 -8.085 5.669 1.808 1.00 0.00 N ATOM 1251 CA THR A 80 -6.877 4.870 1.905 1.00 0.00 C ATOM 1252 C THR A 80 -6.481 4.249 0.568 1.00 0.00 C ATOM 1253 O THR A 80 -5.672 3.322 0.531 1.00 0.00 O ATOM 1254 CB THR A 80 -7.052 3.761 2.953 1.00 0.00 C ATOM 1255 OG1 THR A 80 -7.923 2.741 2.448 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.631 4.338 4.236 1.00 0.00 C ATOM 0 H THR A 80 -8.919 5.215 2.180 1.00 0.00 H new ATOM 0 HA THR A 80 -6.076 5.544 2.209 1.00 0.00 H new ATOM 0 HB THR A 80 -6.076 3.326 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.404 2.323 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.751 3.542 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.956 5.098 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.602 4.788 4.027 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.051 4.755 -0.531 1.00 0.00 N ATOM 1265 CA ASP A 81 -6.715 4.237 -1.860 1.00 0.00 C ATOM 1266 C ASP A 81 -7.058 2.759 -1.985 1.00 0.00 C ATOM 1267 O ASP A 81 -6.678 2.100 -2.954 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.224 4.407 -2.104 1.00 0.00 C ATOM 1269 CG ASP A 81 -4.801 5.863 -2.148 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.013 6.512 -3.194 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.256 6.354 -1.137 1.00 0.00 O ATOM 0 H ASP A 81 -7.736 5.511 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.296 4.795 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.670 3.896 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.957 3.927 -3.045 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.772 2.254 -0.992 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.157 0.849 -0.950 1.00 0.00 C ATOM 1278 C LEU A 82 -6.914 -0.006 -0.757 1.00 0.00 C ATOM 1279 O LEU A 82 -6.659 -0.930 -1.524 1.00 0.00 O ATOM 1280 CB LEU A 82 -8.881 0.442 -2.237 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.253 1.084 -2.464 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.066 1.083 -1.178 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.096 2.497 -3.003 1.00 0.00 C ATOM 0 H LEU A 82 -8.100 2.801 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.841 0.696 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.241 0.689 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.004 -0.641 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.792 0.493 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.037 1.543 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.209 0.057 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.535 1.648 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.080 2.939 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.537 3.100 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.558 2.467 -3.950 1.00 0.00 H new ATOM 1295 N SER A 83 -6.152 0.297 0.281 1.00 0.00 N ATOM 1296 CA SER A 83 -4.950 -0.468 0.583 1.00 0.00 C ATOM 1297 C SER A 83 -5.269 -1.566 1.596 1.00 0.00 C ATOM 1298 O SER A 83 -5.865 -1.295 2.638 1.00 0.00 O ATOM 1299 CB SER A 83 -3.848 0.448 1.120 1.00 0.00 C ATOM 1300 OG SER A 83 -4.258 1.103 2.307 1.00 0.00 O ATOM 0 H SER A 83 -6.342 1.063 0.927 1.00 0.00 H new ATOM 0 HA SER A 83 -4.592 -0.930 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.949 -0.137 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.587 1.189 0.364 1.00 0.00 H new ATOM 0 HG SER A 83 -4.891 0.534 2.793 1.00 0.00 H new ATOM 1306 N PHE A 84 -4.882 -2.799 1.266 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.123 -3.961 2.128 1.00 0.00 C ATOM 1308 C PHE A 84 -5.154 -3.580 3.606 1.00 0.00 C ATOM 1309 O PHE A 84 -4.324 -2.803 4.076 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.043 -5.021 1.893 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.101 -6.170 2.861 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -4.900 -7.271 2.602 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.356 -6.147 4.030 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.954 -8.328 3.491 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.407 -7.201 4.922 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.206 -8.294 4.652 1.00 0.00 C ATOM 0 H PHE A 84 -4.395 -3.022 0.398 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.101 -4.364 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.141 -5.407 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.063 -4.549 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.487 -7.304 1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.728 -5.295 4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.581 -9.181 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.822 -7.170 5.830 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.246 -9.120 5.346 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.115 -4.138 4.335 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.235 -3.851 5.750 1.00 0.00 C ATOM 1328 C GLY A 85 -6.912 -2.522 6.015 1.00 0.00 C ATOM 1329 O GLY A 85 -6.399 -1.699 6.773 1.00 0.00 O ATOM 0 H GLY A 85 -6.813 -4.785 3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.802 -4.647 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.243 -3.847 6.202 1.00 0.00 H new ATOM 1333 N SER A 86 -8.068 -2.308 5.390 1.00 0.00 N ATOM 1334 CA SER A 86 -8.805 -1.064 5.573 1.00 0.00 C ATOM 1335 C SER A 86 -10.292 -1.240 5.281 1.00 0.00 C ATOM 1336 O SER A 86 -10.694 -2.112 4.510 1.00 0.00 O ATOM 1337 CB SER A 86 -8.232 0.035 4.676 1.00 0.00 C ATOM 1338 OG SER A 86 -8.322 -0.323 3.309 1.00 0.00 O ATOM 0 H SER A 86 -8.510 -2.975 4.758 1.00 0.00 H new ATOM 0 HA SER A 86 -8.696 -0.774 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.772 0.966 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.190 0.217 4.939 1.00 0.00 H new ATOM 0 HG SER A 86 -7.494 -0.768 3.032 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.094 -0.393 5.914 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.538 -0.447 5.720 1.00 0.00 C ATOM 1346 C GLN A 87 -13.045 0.830 5.068 1.00 0.00 C ATOM 1347 O GLN A 87 -12.573 1.928 5.361 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.287 -0.717 7.024 1.00 0.00 C ATOM 1349 CG GLN A 87 -12.729 0.017 8.218 1.00 0.00 C ATOM 1350 CD GLN A 87 -12.919 1.520 8.144 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -12.100 2.285 8.652 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.005 1.949 7.513 1.00 0.00 N ATOM 0 H GLN A 87 -10.775 0.331 6.558 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.738 -1.285 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.332 -0.437 6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.267 -1.788 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.208 -0.358 9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.665 -0.203 8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.657 1.278 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.187 2.949 7.434 1.00 0.00 H new ATOM 1361 N ILE A 88 -13.997 0.663 4.167 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.582 1.784 3.446 1.00 0.00 C ATOM 1363 C ILE A 88 -16.096 1.793 3.609 1.00 0.00 C ATOM 1364 O ILE A 88 -16.820 1.153 2.850 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.225 1.737 1.946 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.538 0.356 1.362 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -12.757 2.082 1.747 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.499 0.312 -0.150 1.00 0.00 C ATOM 0 H ILE A 88 -14.385 -0.246 3.914 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.167 2.698 3.871 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.831 2.474 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.823 -0.366 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.526 0.044 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.516 2.046 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.564 3.084 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.138 1.363 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.731 -0.697 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.234 1.009 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.504 0.593 -0.497 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.568 2.517 4.616 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.996 2.595 4.886 1.00 0.00 C ATOM 1382 C GLU A 89 -18.753 3.109 3.669 1.00 0.00 C ATOM 1383 O GLU A 89 -18.178 3.742 2.783 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.280 3.506 6.083 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.089 3.697 7.006 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.381 4.654 8.144 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.300 5.881 7.924 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.690 4.178 9.256 1.00 0.00 O ATOM 0 H GLU A 89 -15.985 3.056 5.256 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.338 1.587 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.604 4.480 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.108 3.089 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.793 2.731 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.243 4.072 6.429 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.045 2.823 3.635 1.00 0.00 N ATOM 1396 CA PHE A 90 -20.904 3.257 2.545 1.00 0.00 C ATOM 1397 C PHE A 90 -22.099 4.010 3.117 1.00 0.00 C ATOM 1398 O PHE A 90 -22.564 3.690 4.209 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.375 2.046 1.736 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.261 1.120 1.332 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -19.831 0.116 2.188 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -19.644 1.248 0.095 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -18.810 -0.740 1.818 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -18.624 0.394 -0.279 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.207 -0.601 0.585 1.00 0.00 C ATOM 0 H PHE A 90 -20.525 2.287 4.358 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.347 3.919 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.104 1.488 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -21.888 2.396 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.299 0.002 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -19.965 2.025 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.485 -1.517 2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.153 0.504 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 90 -17.410 -1.269 0.295 1.00 0.00 H new ATOM 1415 N SER A 91 -22.591 5.018 2.404 1.00 0.00 N ATOM 1416 CA SER A 91 -23.723 5.796 2.890 1.00 0.00 C ATOM 1417 C SER A 91 -24.820 5.941 1.839 1.00 0.00 C ATOM 1418 O SER A 91 -24.599 6.490 0.762 1.00 0.00 O ATOM 1419 CB SER A 91 -23.252 7.178 3.345 1.00 0.00 C ATOM 1420 OG SER A 91 -22.351 7.076 4.433 1.00 0.00 O ATOM 0 H SER A 91 -22.228 5.312 1.497 1.00 0.00 H new ATOM 0 HA SER A 91 -24.150 5.255 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.768 7.692 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.112 7.781 3.636 1.00 0.00 H new ATOM 0 HG SER A 91 -22.063 7.973 4.704 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.004 5.447 2.180 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.141 5.553 1.272 1.00 0.00 C ATOM 1428 C CYS A 92 -27.828 6.900 1.481 1.00 0.00 C ATOM 1429 O CYS A 92 -28.324 7.192 2.570 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.130 4.398 1.473 1.00 0.00 C ATOM 1431 SG CYS A 92 -27.555 2.799 0.807 1.00 0.00 S ATOM 0 H CYS A 92 -26.201 4.976 3.063 1.00 0.00 H new ATOM 0 HA CYS A 92 -26.778 5.488 0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.328 4.285 2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.076 4.658 0.999 1.00 0.00 H new ATOM 1436 N SER A 93 -27.843 7.717 0.430 1.00 0.00 N ATOM 1437 CA SER A 93 -28.438 9.055 0.489 1.00 0.00 C ATOM 1438 C SER A 93 -29.819 9.057 1.133 1.00 0.00 C ATOM 1439 O SER A 93 -30.430 8.008 1.341 1.00 0.00 O ATOM 1440 CB SER A 93 -28.541 9.656 -0.912 1.00 0.00 C ATOM 1441 OG SER A 93 -27.266 10.032 -1.404 1.00 0.00 O ATOM 0 H SER A 93 -27.448 7.476 -0.479 1.00 0.00 H new ATOM 0 HA SER A 93 -27.777 9.658 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 93 -28.996 8.932 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.196 10.527 -0.890 1.00 0.00 H new ATOM 0 HG SER A 93 -27.361 10.412 -2.302 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.300 10.261 1.439 1.00 0.00 N ATOM 1448 CA GLU A 94 -31.610 10.448 2.050 1.00 0.00 C ATOM 1449 C GLU A 94 -32.660 9.583 1.359 1.00 0.00 C ATOM 1450 O GLU A 94 -32.552 9.286 0.169 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.009 11.925 1.977 1.00 0.00 C ATOM 1452 CG GLU A 94 -33.488 12.174 2.217 1.00 0.00 C ATOM 1453 CD GLU A 94 -33.832 13.650 2.274 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -33.782 14.229 3.380 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.153 14.228 1.214 1.00 0.00 O ATOM 0 H GLU A 94 -29.793 11.130 1.270 1.00 0.00 H new ATOM 0 HA GLU A 94 -31.553 10.142 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.432 12.484 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -31.739 12.316 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.065 11.701 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -33.785 11.700 3.152 1.00 0.00 H new ATOM 1462 N GLY A 95 -33.680 9.193 2.118 1.00 0.00 N ATOM 1463 CA GLY A 95 -34.744 8.372 1.576 1.00 0.00 C ATOM 1464 C GLY A 95 -34.337 6.925 1.382 1.00 0.00 C ATOM 1465 O GLY A 95 -35.157 6.024 1.552 1.00 0.00 O ATOM 0 H GLY A 95 -33.787 9.433 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.604 8.415 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.062 8.785 0.619 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.079 6.688 1.032 1.00 0.00 N ATOM 1470 CA PHE A 96 -32.609 5.327 0.798 1.00 0.00 C ATOM 1471 C PHE A 96 -31.641 4.908 1.902 1.00 0.00 C ATOM 1472 O PHE A 96 -30.694 5.630 2.214 1.00 0.00 O ATOM 1473 CB PHE A 96 -31.924 5.222 -0.567 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.636 5.969 -1.661 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.759 5.435 -2.268 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.178 7.209 -2.081 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.416 6.121 -3.272 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.829 7.899 -3.086 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.950 7.355 -3.681 1.00 0.00 C ATOM 0 H PHE A 96 -32.372 7.412 0.905 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.470 4.658 0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -30.906 5.602 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -31.849 4.171 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.127 4.470 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.303 7.640 -1.618 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.292 5.693 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -32.461 8.863 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 96 -34.462 7.894 -4.465 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.885 3.742 2.496 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.028 3.244 3.569 1.00 0.00 C ATOM 1491 C PHE A 97 -30.014 2.240 3.041 1.00 0.00 C ATOM 1492 O PHE A 97 -30.105 1.765 1.909 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.867 2.627 4.695 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.602 1.369 4.318 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.630 1.398 3.389 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.274 0.159 4.909 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.315 0.245 3.056 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.954 -0.998 4.578 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.976 -0.954 3.651 1.00 0.00 C ATOM 0 H PHE A 97 -32.663 3.128 2.255 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.479 4.092 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.213 2.410 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.592 3.366 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.899 2.333 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.477 0.120 5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.115 0.282 2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.686 -1.935 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.510 -1.856 3.391 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.052 1.923 3.901 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.991 0.993 3.546 1.00 0.00 C ATOM 1511 C LEU A 98 -28.368 -0.443 3.867 1.00 0.00 C ATOM 1512 O LEU A 98 -29.007 -0.726 4.880 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.696 1.353 4.267 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.476 0.546 3.819 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.211 1.365 3.986 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.377 -0.759 4.595 1.00 0.00 C ATOM 0 H LEU A 98 -28.987 2.297 4.848 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.842 1.074 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.492 2.413 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.839 1.208 5.338 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.594 0.303 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.352 0.777 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.280 2.269 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.090 1.638 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.502 -1.316 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.284 -0.543 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.274 -1.354 4.423 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.956 -1.343 2.984 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.194 -2.774 3.119 1.00 0.00 C ATOM 1530 C ILE A 99 -27.179 -3.518 2.273 1.00 0.00 C ATOM 1531 O ILE A 99 -27.424 -3.864 1.117 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.600 -3.173 2.632 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.479 -1.936 2.487 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.229 -4.175 3.584 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.690 -2.140 1.607 1.00 0.00 C ATOM 0 H ILE A 99 -27.439 -1.095 2.140 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.107 -3.028 4.175 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.510 -3.646 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.811 -1.621 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.879 -1.123 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.222 -4.445 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.606 -5.068 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.311 -3.732 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.263 -1.214 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.368 -2.424 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.314 -2.930 2.025 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.023 -3.742 2.886 1.00 0.00 N ATOM 1548 CA GLY A 100 -24.931 -4.428 2.227 1.00 0.00 C ATOM 1549 C GLY A 100 -23.633 -4.288 2.991 1.00 0.00 C ATOM 1550 O GLY A 100 -22.576 -4.068 2.400 1.00 0.00 O ATOM 0 H GLY A 100 -25.822 -3.455 3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.177 -5.484 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -24.805 -4.027 1.221 1.00 0.00 H new ATOM 1554 N SER A 101 -23.720 -4.411 4.311 1.00 0.00 N ATOM 1555 CA SER A 101 -22.549 -4.289 5.177 1.00 0.00 C ATOM 1556 C SER A 101 -21.944 -2.893 5.061 1.00 0.00 C ATOM 1557 O SER A 101 -21.298 -2.567 4.066 1.00 0.00 O ATOM 1558 CB SER A 101 -21.503 -5.349 4.825 1.00 0.00 C ATOM 1559 OG SER A 101 -20.344 -5.212 5.631 1.00 0.00 O ATOM 0 H SER A 101 -24.592 -4.596 4.808 1.00 0.00 H new ATOM 0 HA SER A 101 -22.869 -4.448 6.207 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.929 -6.343 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.231 -5.260 3.773 1.00 0.00 H new ATOM 0 HG SER A 101 -19.689 -4.648 5.169 1.00 0.00 H new ATOM 1565 N THR A 102 -22.155 -2.071 6.086 1.00 0.00 N ATOM 1566 CA THR A 102 -21.644 -0.704 6.089 1.00 0.00 C ATOM 1567 C THR A 102 -20.126 -0.669 6.121 1.00 0.00 C ATOM 1568 O THR A 102 -19.530 0.405 6.086 1.00 0.00 O ATOM 1569 CB THR A 102 -22.180 0.102 7.287 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.721 -0.480 8.513 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.700 0.141 7.283 1.00 0.00 C ATOM 0 H THR A 102 -22.676 -2.328 6.924 1.00 0.00 H new ATOM 0 HA THR A 102 -21.995 -0.250 5.162 1.00 0.00 H new ATOM 0 HB THR A 102 -21.806 1.122 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.064 0.039 9.270 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.051 0.716 8.139 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.050 0.610 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.090 -0.875 7.344 1.00 0.00 H new ATOM 1579 N THR A 103 -19.501 -1.830 6.197 1.00 0.00 N ATOM 1580 CA THR A 103 -18.053 -1.891 6.214 1.00 0.00 C ATOM 1581 C THR A 103 -17.545 -2.739 5.062 1.00 0.00 C ATOM 1582 O THR A 103 -18.285 -3.551 4.506 1.00 0.00 O ATOM 1583 CB THR A 103 -17.532 -2.438 7.541 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.067 -3.744 7.790 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.903 -1.500 8.676 1.00 0.00 C ATOM 0 H THR A 103 -19.969 -2.735 6.247 1.00 0.00 H new ATOM 0 HA THR A 103 -17.677 -0.874 6.100 1.00 0.00 H new ATOM 0 HB THR A 103 -16.446 -2.511 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.722 -4.081 8.643 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.526 -1.901 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.462 -0.519 8.497 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.988 -1.406 8.730 1.00 0.00 H new ATOM 1593 N SER A 104 -16.280 -2.554 4.704 1.00 0.00 N ATOM 1594 CA SER A 104 -15.669 -3.328 3.636 1.00 0.00 C ATOM 1595 C SER A 104 -14.194 -3.522 3.957 1.00 0.00 C ATOM 1596 O SER A 104 -13.432 -2.560 3.978 1.00 0.00 O ATOM 1597 CB SER A 104 -15.836 -2.620 2.289 1.00 0.00 C ATOM 1598 OG SER A 104 -15.417 -3.450 1.221 1.00 0.00 O ATOM 0 H SER A 104 -15.658 -1.873 5.140 1.00 0.00 H new ATOM 0 HA SER A 104 -16.161 -4.298 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.880 -2.341 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.256 -1.697 2.285 1.00 0.00 H new ATOM 0 HG SER A 104 -14.534 -3.161 0.909 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.784 -4.762 4.188 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.401 -5.059 4.550 1.00 0.00 C ATOM 1606 C ARG A 105 -11.595 -5.576 3.368 1.00 0.00 C ATOM 1607 O ARG A 105 -12.113 -6.281 2.502 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.365 -6.082 5.686 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.218 -5.693 6.882 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.096 -6.711 8.005 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.420 -8.061 7.553 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.665 -9.077 8.376 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.627 -8.895 9.689 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.950 -10.276 7.885 1.00 0.00 N ATOM 0 H ARG A 105 -14.389 -5.581 4.131 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.944 -4.125 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.704 -7.046 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.334 -6.213 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.913 -4.711 7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.261 -5.610 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.081 -6.695 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.762 -6.432 8.822 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.461 -8.235 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.410 -7.974 10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.815 -9.676 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.981 -10.419 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.138 -11.054 8.517 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.313 -5.228 3.354 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.411 -5.647 2.292 1.00 0.00 C ATOM 1630 C CYS A 106 -8.585 -6.845 2.734 1.00 0.00 C ATOM 1631 O CYS A 106 -7.808 -6.768 3.686 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.488 -4.499 1.886 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.079 -3.537 0.455 1.00 0.00 S ATOM 0 H CYS A 106 -9.874 -4.652 4.073 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.013 -5.934 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.366 -3.827 2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.503 -4.904 1.656 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.768 -7.953 2.033 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.072 -9.191 2.340 1.00 0.00 C ATOM 1640 C GLU A 107 -7.317 -9.665 1.105 1.00 0.00 C ATOM 1641 O GLU A 107 -7.173 -8.906 0.154 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.093 -10.236 2.795 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.494 -11.423 3.527 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.646 -11.009 4.713 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.218 -10.766 5.796 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -6.409 -10.928 4.559 1.00 0.00 O ATOM 0 H GLU A 107 -9.402 -8.019 1.237 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.352 -9.034 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.822 -9.754 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.636 -10.599 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.296 -12.077 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.884 -12.003 2.834 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.785 -10.883 1.145 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.071 -11.430 -0.005 1.00 0.00 C ATOM 1655 C VAL A 108 -6.570 -12.813 -0.402 1.00 0.00 C ATOM 1656 O VAL A 108 -6.713 -13.709 0.430 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.555 -11.489 0.220 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.859 -12.023 -1.030 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.026 -10.114 0.587 1.00 0.00 C ATOM 0 H VAL A 108 -6.833 -11.505 1.952 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.279 -10.738 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.345 -12.168 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.783 -12.061 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.227 -13.025 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.070 -11.365 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.949 -10.169 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.240 -9.414 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.509 -9.770 1.502 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.821 -12.957 -1.701 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.288 -14.219 -2.265 1.00 0.00 C ATOM 1671 C GLN A 109 -7.457 -14.109 -3.773 1.00 0.00 C ATOM 1672 O GLN A 109 -8.297 -14.785 -4.369 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.618 -14.610 -1.629 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.675 -13.531 -1.772 1.00 0.00 C ATOM 1675 CD GLN A 109 -11.030 -13.966 -1.251 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.374 -15.147 -1.288 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.809 -13.009 -0.758 1.00 0.00 N ATOM 0 H GLN A 109 -6.708 -12.210 -2.386 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.542 -14.985 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.979 -15.530 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.462 -14.822 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.353 -12.639 -1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.766 -13.254 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.484 -12.042 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.732 -13.241 -0.391 1.00 0.00 H new ATOM 1686 N ASP A 110 -6.649 -13.259 -4.383 1.00 0.00 N ATOM 1687 CA ASP A 110 -6.703 -13.050 -5.820 1.00 0.00 C ATOM 1688 C ASP A 110 -5.324 -12.697 -6.367 1.00 0.00 C ATOM 1689 O ASP A 110 -4.400 -13.509 -6.305 1.00 0.00 O ATOM 1690 CB ASP A 110 -7.713 -11.950 -6.162 1.00 0.00 C ATOM 1691 CG ASP A 110 -9.139 -12.344 -5.830 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -9.556 -12.141 -4.671 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -9.840 -12.853 -6.730 1.00 0.00 O ATOM 0 H ASP A 110 -5.944 -12.700 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.028 -13.979 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.454 -11.042 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.643 -11.715 -7.224 1.00 0.00 H new ATOM 1698 N ARG A 111 -5.184 -11.488 -6.904 1.00 0.00 N ATOM 1699 CA ARG A 111 -3.915 -11.049 -7.451 1.00 0.00 C ATOM 1700 C ARG A 111 -3.060 -10.405 -6.380 1.00 0.00 C ATOM 1701 O ARG A 111 -2.510 -9.319 -6.570 1.00 0.00 O ATOM 1702 CB ARG A 111 -4.131 -10.079 -8.607 1.00 0.00 C ATOM 1703 CG ARG A 111 -4.959 -10.652 -9.743 1.00 0.00 C ATOM 1704 CD ARG A 111 -5.169 -9.626 -10.845 1.00 0.00 C ATOM 1705 NE ARG A 111 -5.850 -8.431 -10.354 1.00 0.00 N ATOM 1706 CZ ARG A 111 -6.198 -7.408 -11.129 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -5.964 -7.451 -12.435 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -6.786 -6.346 -10.598 1.00 0.00 N ATOM 0 H ARG A 111 -5.935 -10.801 -6.969 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.392 -11.927 -7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.622 -9.182 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.161 -9.771 -8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.461 -11.531 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.925 -10.982 -9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.205 -9.346 -11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -5.753 -10.072 -11.650 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.071 -8.378 -9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.516 -8.270 -12.846 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.232 -6.665 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -6.971 -6.314 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.053 -5.561 -11.192 1.00 0.00 H new ATOM 1722 N GLY A 112 -2.950 -11.088 -5.252 1.00 0.00 N ATOM 1723 CA GLY A 112 -2.165 -10.572 -4.160 1.00 0.00 C ATOM 1724 C GLY A 112 -3.047 -9.944 -3.115 1.00 0.00 C ATOM 1725 O GLY A 112 -2.577 -9.551 -2.048 1.00 0.00 O ATOM 0 H GLY A 112 -3.392 -11.990 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.582 -11.377 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.455 -9.834 -4.534 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.340 -9.845 -3.431 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.305 -9.271 -2.507 1.00 0.00 C ATOM 1731 C VAL A 113 -6.742 -9.397 -3.020 1.00 0.00 C ATOM 1732 O VAL A 113 -7.028 -9.198 -4.201 1.00 0.00 O ATOM 1733 CB VAL A 113 -4.969 -7.801 -2.194 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.226 -7.177 -3.361 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.211 -7.001 -1.847 1.00 0.00 C ATOM 0 H VAL A 113 -4.737 -10.155 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.237 -9.846 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.323 -7.782 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.993 -6.138 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.301 -7.726 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.850 -7.219 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.931 -5.970 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.904 -7.022 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.691 -7.436 -0.971 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.624 -9.731 -2.092 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.022 -9.888 -2.457 1.00 0.00 C ATOM 1747 C GLY A 114 -9.945 -8.943 -1.701 1.00 0.00 C ATOM 1748 O GLY A 114 -9.646 -8.571 -0.567 1.00 0.00 O ATOM 0 H GLY A 114 -7.407 -9.895 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.134 -9.716 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.328 -10.916 -2.265 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.065 -8.547 -2.306 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.008 -7.661 -1.626 1.00 0.00 C ATOM 1754 C TRP A 115 -12.916 -8.471 -0.706 1.00 0.00 C ATOM 1755 O TRP A 115 -12.805 -9.696 -0.631 1.00 0.00 O ATOM 1756 CB TRP A 115 -12.865 -6.860 -2.619 1.00 0.00 C ATOM 1757 CG TRP A 115 -12.639 -5.376 -2.553 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.468 -4.527 -3.609 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.563 -4.564 -1.373 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.294 -3.240 -3.157 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.346 -3.237 -1.791 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -12.657 -4.828 -0.003 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.223 -2.182 -0.891 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.533 -3.778 0.887 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.319 -2.470 0.441 1.00 0.00 C ATOM 0 H TRP A 115 -11.338 -8.820 -3.250 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.423 -6.951 -1.041 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.652 -7.206 -3.630 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -13.918 -7.067 -2.426 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.469 -4.823 -4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.149 -2.420 -3.746 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -12.823 -5.834 0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.057 -1.171 -1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.603 -3.971 1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.228 -1.672 1.163 1.00 0.00 H new ATOM 1776 N SER A 116 -13.816 -7.786 -0.008 1.00 0.00 N ATOM 1777 CA SER A 116 -14.742 -8.447 0.904 1.00 0.00 C ATOM 1778 C SER A 116 -16.186 -8.224 0.461 1.00 0.00 C ATOM 1779 O SER A 116 -17.004 -9.145 0.483 1.00 0.00 O ATOM 1780 CB SER A 116 -14.550 -7.925 2.329 1.00 0.00 C ATOM 1781 OG SER A 116 -15.435 -8.566 3.231 1.00 0.00 O ATOM 0 H SER A 116 -13.924 -6.773 -0.057 1.00 0.00 H new ATOM 0 HA SER A 116 -14.531 -9.516 0.886 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.520 -8.092 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.720 -6.849 2.351 1.00 0.00 H new ATOM 0 HG SER A 116 -15.291 -8.216 4.135 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.487 -6.991 0.058 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.827 -6.632 -0.396 1.00 0.00 C ATOM 1789 C HIS A 117 -17.811 -5.254 -1.054 1.00 0.00 C ATOM 1790 O HIS A 117 -17.150 -4.338 -0.566 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.805 -6.640 0.779 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.239 -6.512 0.368 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.018 -7.590 0.009 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.033 -5.422 0.255 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.230 -7.170 -0.308 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.265 -5.859 -0.166 1.00 0.00 N ATOM 0 H HIS A 117 -15.817 -6.222 0.037 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.154 -7.369 -1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.678 -7.566 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.555 -5.822 1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.751 -4.400 0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.052 -7.793 -0.629 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.076 -5.266 -0.341 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.541 -5.085 -2.171 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.597 -3.821 -2.887 1.00 0.00 C ATOM 1807 C PRO A 118 -19.744 -2.923 -2.413 1.00 0.00 C ATOM 1808 O PRO A 118 -20.164 -2.989 -1.258 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.822 -4.271 -4.329 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.552 -5.578 -4.234 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.366 -6.107 -2.830 1.00 0.00 C ATOM 0 HA PRO A 118 -17.702 -3.218 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.405 -3.535 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.875 -4.388 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.611 -5.442 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.163 -6.287 -4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.322 -6.236 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.872 -7.079 -2.832 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.236 -2.080 -3.318 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.328 -1.159 -3.027 1.00 0.00 C ATOM 1821 C LEU A 119 -22.565 -1.895 -2.509 1.00 0.00 C ATOM 1822 O LEU A 119 -23.020 -2.864 -3.121 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.676 -0.381 -4.296 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.474 0.095 -5.122 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.318 0.497 -4.215 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.042 -0.976 -6.115 1.00 0.00 C ATOM 0 H LEU A 119 -19.887 -2.018 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.002 -0.475 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.304 -1.010 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.272 0.488 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 119 -20.778 0.975 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -18.477 0.831 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -19.635 1.307 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.013 -0.359 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.188 -0.616 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -19.761 -1.880 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -20.867 -1.199 -6.792 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.128 -1.441 -1.372 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.322 -2.053 -0.779 1.00 0.00 C ATOM 1840 C PRO A 120 -25.571 -1.760 -1.600 1.00 0.00 C ATOM 1841 O PRO A 120 -25.477 -1.324 -2.747 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.418 -1.388 0.595 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.754 -0.068 0.415 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.646 -0.296 -0.576 1.00 0.00 C ATOM 0 HA PRO A 120 -24.250 -3.140 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.455 -1.271 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -23.919 -1.983 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.459 0.677 0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.361 0.304 1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -22.477 0.583 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.703 -0.521 -0.079 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.741 -1.997 -1.014 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.005 -1.756 -1.698 1.00 0.00 C ATOM 1854 C GLN A 121 -28.729 -0.553 -1.101 1.00 0.00 C ATOM 1855 O GLN A 121 -29.101 -0.561 0.073 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.900 -2.992 -1.605 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.144 -2.905 -2.474 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.994 -4.160 -2.413 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -32.216 -4.101 -2.551 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.352 -5.304 -2.209 1.00 0.00 N ATOM 0 H GLN A 121 -26.839 -2.357 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 121 -27.786 -1.545 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.324 -3.871 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.200 -3.136 -0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.743 -2.051 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.848 -2.722 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.338 -5.307 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.873 -6.180 -2.161 1.00 0.00 H new ATOM 1869 N CYS A 122 -28.925 0.477 -1.915 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.617 1.675 -1.458 1.00 0.00 C ATOM 1871 C CYS A 122 -31.054 1.679 -1.974 1.00 0.00 C ATOM 1872 O CYS A 122 -31.297 1.876 -3.165 1.00 0.00 O ATOM 1873 CB CYS A 122 -28.883 2.935 -1.923 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.241 3.175 -1.163 1.00 0.00 S ATOM 0 H CYS A 122 -28.617 0.507 -2.887 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.632 1.671 -0.368 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.766 2.894 -3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -29.503 3.804 -1.702 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.001 1.457 -1.068 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.414 1.421 -1.436 1.00 0.00 C ATOM 1881 C GLU A 123 -34.228 2.361 -0.554 1.00 0.00 C ATOM 1882 O GLU A 123 -33.926 2.556 0.622 1.00 0.00 O ATOM 1883 CB GLU A 123 -33.958 -0.005 -1.321 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.395 -0.148 -1.793 1.00 0.00 C ATOM 1885 CD GLU A 123 -35.558 0.169 -3.267 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.390 -0.752 -4.094 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -35.855 1.336 -3.594 1.00 0.00 O ATOM 0 H GLU A 123 -31.818 1.300 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.503 1.753 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.325 -0.674 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.892 -0.327 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -35.736 -1.166 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.033 0.516 -1.210 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.264 2.941 -1.152 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.129 3.879 -0.447 1.00 0.00 C ATOM 1896 C ILE A 124 -36.784 3.217 0.762 1.00 0.00 C ATOM 1897 O ILE A 124 -37.146 2.041 0.719 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.223 4.433 -1.383 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.032 5.528 -0.682 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.137 3.312 -1.855 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.281 6.833 -0.532 1.00 0.00 C ATOM 0 H ILE A 124 -35.525 2.777 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.503 4.703 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.738 4.873 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.948 5.708 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.329 5.174 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -38.903 3.720 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.551 2.568 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.612 2.843 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -37.915 7.562 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.379 6.668 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.008 7.211 -1.517 1.00 0.00 H new ATOM 1913 N LEU A 125 -36.932 3.980 1.841 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.547 3.470 3.061 1.00 0.00 C ATOM 1915 C LEU A 125 -39.004 3.097 2.814 1.00 0.00 C ATOM 1916 O LEU A 125 -39.427 1.978 3.107 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.456 4.513 4.178 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.050 4.758 4.730 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.071 5.886 5.750 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.487 3.488 5.351 1.00 0.00 C ATOM 0 H LEU A 125 -36.634 4.954 1.895 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.006 2.575 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.851 5.457 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.101 4.200 4.999 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.402 5.049 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.064 6.048 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.430 6.799 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.734 5.620 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.487 3.684 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.134 3.164 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.437 2.705 4.595 1.00 0.00 H new