USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 699 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 2 SER OG : rot 8:sc= -0.23 USER MOD Set 1.2: A 3 HIS : no HD1:sc= 0 K(o=-0.23,f=-0.79) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.239 USER MOD Single : A 10 ASN : amide:sc= -0.665 K(o=-0.66,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -171:sc= -2.96! USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.047) USER MOD Single : A 23 GLN : amide:sc= -9.87! K(o=-9.9!,f=-1.7) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0658 K(o=-0.066,f=-1.8!) USER MOD Single : A 34 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.74) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -1.41 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 46 THR OG1 : rot 61:sc= -5.7! USER MOD Single : A 47 SER OG : rot -104:sc= 0.69 USER MOD Single : A 52 THR OG1 : rot 161:sc= -1.53 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.476 K(o=-0.48,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00753 K(o=-0.0075,f=-1.9!) USER MOD Single : A 62 ASN : amide:sc= -0.724 K(o=-0.72,f=-0.014) USER MOD Single : A 63 HIS : no HD1:sc= -2.97! C(o=-3!,f=-6.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00964) USER MOD Single : A 67 THR OG1 : rot -30:sc= -1.44! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.2!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.026 35.372 10.438 1.00 0.00 N ATOM 2 CA GLY A 1 14.144 34.333 10.513 1.00 0.00 C ATOM 3 C GLY A 1 15.548 34.747 10.233 1.00 0.00 C ATOM 4 O GLY A 1 16.487 34.040 10.541 1.00 0.00 O ATOM 0 H1 GLY A 1 12.116 34.920 10.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.211 36.131 11.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.989 35.773 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.124 33.902 11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.894 33.533 9.817 1.00 0.00 H new ATOM 10 N SER A 2 15.732 35.896 9.644 1.00 0.00 N ATOM 11 CA SER A 2 17.114 36.362 9.337 1.00 0.00 C ATOM 12 C SER A 2 17.884 35.241 8.636 1.00 0.00 C ATOM 13 O SER A 2 17.318 34.439 7.920 1.00 0.00 O ATOM 14 CB SER A 2 17.827 36.736 10.636 1.00 0.00 C ATOM 15 OG SER A 2 17.980 35.571 11.439 1.00 0.00 O ATOM 0 H SER A 2 14.986 36.532 9.362 1.00 0.00 H new ATOM 0 HA SER A 2 17.068 37.235 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.802 37.172 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.254 37.491 11.175 1.00 0.00 H new ATOM 0 HG SER A 2 17.712 34.781 10.924 1.00 0.00 H new ATOM 21 N HIS A 3 19.172 35.177 8.838 1.00 0.00 N ATOM 22 CA HIS A 3 19.976 34.106 8.185 1.00 0.00 C ATOM 23 C HIS A 3 19.466 33.883 6.759 1.00 0.00 C ATOM 24 O HIS A 3 18.920 32.845 6.441 1.00 0.00 O ATOM 25 CB HIS A 3 19.842 32.809 8.985 1.00 0.00 C ATOM 26 CG HIS A 3 20.512 32.973 10.322 1.00 0.00 C ATOM 27 ND1 HIS A 3 19.792 33.177 11.489 1.00 0.00 N ATOM 28 CD2 HIS A 3 21.834 32.964 10.694 1.00 0.00 C ATOM 29 CE1 HIS A 3 20.677 33.283 12.498 1.00 0.00 C ATOM 30 NE2 HIS A 3 21.936 33.160 12.068 1.00 0.00 N ATOM 0 H HIS A 3 19.702 35.820 9.427 1.00 0.00 H new ATOM 0 HA HIS A 3 21.024 34.406 8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 3 18.790 32.561 9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 3 20.296 31.983 8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 3 22.668 32.826 10.022 1.00 0.00 H new ATOM 0 HE1 HIS A 3 20.403 33.447 13.530 1.00 0.00 H new ATOM 0 HE2 HIS A 3 22.788 33.201 12.627 1.00 0.00 H new ATOM 38 N MET A 4 19.640 34.848 5.898 1.00 0.00 N ATOM 39 CA MET A 4 19.166 34.691 4.494 1.00 0.00 C ATOM 40 C MET A 4 17.694 34.273 4.498 1.00 0.00 C ATOM 41 O MET A 4 16.852 34.935 5.070 1.00 0.00 O ATOM 42 CB MET A 4 20.001 33.620 3.791 1.00 0.00 C ATOM 43 CG MET A 4 21.409 34.161 3.529 1.00 0.00 C ATOM 44 SD MET A 4 21.608 34.495 1.761 1.00 0.00 S ATOM 45 CE MET A 4 23.143 33.567 1.526 1.00 0.00 C ATOM 0 H MET A 4 20.090 35.739 6.106 1.00 0.00 H new ATOM 0 HA MET A 4 19.273 35.638 3.965 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.054 32.722 4.407 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.529 33.334 2.851 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.572 35.073 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.155 33.438 3.860 1.00 0.00 H new ATOM 0 HE1 MET A 4 23.455 33.638 0.484 1.00 0.00 H new ATOM 0 HE2 MET A 4 23.921 33.982 2.167 1.00 0.00 H new ATOM 0 HE3 MET A 4 22.979 32.521 1.785 1.00 0.00 H new ATOM 55 N SER A 5 17.376 33.178 3.861 1.00 0.00 N ATOM 56 CA SER A 5 15.959 32.723 3.829 1.00 0.00 C ATOM 57 C SER A 5 15.895 31.280 3.321 1.00 0.00 C ATOM 58 O SER A 5 15.636 31.032 2.160 1.00 0.00 O ATOM 59 CB SER A 5 15.154 33.629 2.897 1.00 0.00 C ATOM 60 OG SER A 5 16.043 34.487 2.193 1.00 0.00 O ATOM 0 H SER A 5 18.036 32.581 3.363 1.00 0.00 H new ATOM 0 HA SER A 5 15.540 32.771 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.578 33.027 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.440 34.219 3.472 1.00 0.00 H new ATOM 0 HG SER A 5 15.530 35.068 1.593 1.00 0.00 H new ATOM 66 N ASP A 6 16.129 30.326 4.181 1.00 0.00 N ATOM 67 CA ASP A 6 16.081 28.902 3.745 1.00 0.00 C ATOM 68 C ASP A 6 14.824 28.236 4.311 1.00 0.00 C ATOM 69 O ASP A 6 13.725 28.732 4.159 1.00 0.00 O ATOM 70 CB ASP A 6 17.320 28.167 4.261 1.00 0.00 C ATOM 71 CG ASP A 6 18.581 28.872 3.757 1.00 0.00 C ATOM 72 OD1 ASP A 6 18.695 29.053 2.556 1.00 0.00 O ATOM 73 OD2 ASP A 6 19.411 29.218 4.582 1.00 0.00 O ATOM 0 H ASP A 6 16.351 30.471 5.166 1.00 0.00 H new ATOM 0 HA ASP A 6 16.058 28.858 2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.315 28.144 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 6 17.309 27.132 3.921 1.00 0.00 H new ATOM 78 N GLY A 7 14.978 27.116 4.962 1.00 0.00 N ATOM 79 CA GLY A 7 13.794 26.419 5.537 1.00 0.00 C ATOM 80 C GLY A 7 13.294 25.362 4.552 1.00 0.00 C ATOM 81 O GLY A 7 13.554 24.184 4.705 1.00 0.00 O ATOM 0 H GLY A 7 15.873 26.653 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.060 25.951 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.002 27.138 5.747 1.00 0.00 H new ATOM 85 N LEU A 8 12.576 25.771 3.544 1.00 0.00 N ATOM 86 CA LEU A 8 12.058 24.789 2.550 1.00 0.00 C ATOM 87 C LEU A 8 12.570 25.156 1.155 1.00 0.00 C ATOM 88 O LEU A 8 12.052 26.051 0.518 1.00 0.00 O ATOM 89 CB LEU A 8 10.528 24.819 2.560 1.00 0.00 C ATOM 90 CG LEU A 8 10.028 24.732 4.003 1.00 0.00 C ATOM 91 CD1 LEU A 8 8.520 24.978 4.039 1.00 0.00 C ATOM 92 CD2 LEU A 8 10.331 23.340 4.562 1.00 0.00 C ATOM 0 H LEU A 8 12.325 26.743 3.365 1.00 0.00 H new ATOM 0 HA LEU A 8 12.404 23.788 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.168 25.736 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.133 23.988 1.976 1.00 0.00 H new ATOM 0 HG LEU A 8 10.532 25.486 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.166 24.916 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.303 25.969 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.014 24.225 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.976 23.276 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.827 22.587 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.407 23.165 4.538 1.00 0.00 H new ATOM 104 N PRO A 9 13.578 24.444 0.729 1.00 0.00 N ATOM 105 CA PRO A 9 14.143 24.727 -0.610 1.00 0.00 C ATOM 106 C PRO A 9 13.427 23.888 -1.673 1.00 0.00 C ATOM 107 O PRO A 9 13.059 24.381 -2.720 1.00 0.00 O ATOM 108 CB PRO A 9 15.623 24.336 -0.525 1.00 0.00 C ATOM 109 CG PRO A 9 15.889 23.817 0.905 1.00 0.00 C ATOM 110 CD PRO A 9 14.568 23.899 1.682 1.00 0.00 C ATOM 0 HA PRO A 9 14.021 25.773 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.859 23.567 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 9 16.259 25.194 -0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.254 22.790 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.658 24.416 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.264 22.916 2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.667 24.543 2.556 1.00 0.00 H new ATOM 118 N ASN A 10 13.229 22.623 -1.415 1.00 0.00 N ATOM 119 CA ASN A 10 12.541 21.760 -2.416 1.00 0.00 C ATOM 120 C ASN A 10 11.541 20.845 -1.705 1.00 0.00 C ATOM 121 O ASN A 10 10.721 20.202 -2.333 1.00 0.00 O ATOM 122 CB ASN A 10 13.574 20.907 -3.153 1.00 0.00 C ATOM 123 CG ASN A 10 12.874 19.712 -3.804 1.00 0.00 C ATOM 124 OD1 ASN A 10 11.950 19.881 -4.574 1.00 0.00 O ATOM 125 ND2 ASN A 10 13.279 18.503 -3.527 1.00 0.00 N ATOM 0 H ASN A 10 13.513 22.152 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 10 12.012 22.390 -3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.080 21.504 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.339 20.560 -2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.820 17.700 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.055 18.361 -2.880 1.00 0.00 H new ATOM 132 N LYS A 11 11.601 20.776 -0.404 1.00 0.00 N ATOM 133 CA LYS A 11 10.653 19.897 0.336 1.00 0.00 C ATOM 134 C LYS A 11 10.731 18.479 -0.233 1.00 0.00 C ATOM 135 O LYS A 11 9.935 18.088 -1.063 1.00 0.00 O ATOM 136 CB LYS A 11 9.229 20.433 0.174 1.00 0.00 C ATOM 137 CG LYS A 11 8.323 19.800 1.232 1.00 0.00 C ATOM 138 CD LYS A 11 8.241 20.720 2.451 1.00 0.00 C ATOM 139 CE LYS A 11 7.480 20.014 3.575 1.00 0.00 C ATOM 140 NZ LYS A 11 8.404 19.761 4.717 1.00 0.00 N ATOM 0 H LYS A 11 12.264 21.289 0.177 1.00 0.00 H new ATOM 0 HA LYS A 11 10.917 19.882 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.223 21.518 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.855 20.206 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.327 19.634 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.714 18.825 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.243 20.985 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.738 21.649 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.640 20.628 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.066 19.073 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.888 19.281 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.191 19.160 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.779 20.666 5.067 1.00 0.00 H new ATOM 154 N LYS A 12 11.688 17.706 0.203 1.00 0.00 N ATOM 155 CA LYS A 12 11.817 16.316 -0.316 1.00 0.00 C ATOM 156 C LYS A 12 10.787 15.416 0.367 1.00 0.00 C ATOM 157 O LYS A 12 11.110 14.644 1.249 1.00 0.00 O ATOM 158 CB LYS A 12 13.226 15.791 -0.027 1.00 0.00 C ATOM 159 CG LYS A 12 14.204 16.965 0.042 1.00 0.00 C ATOM 160 CD LYS A 12 15.632 16.432 0.180 1.00 0.00 C ATOM 161 CE LYS A 12 16.022 16.391 1.658 1.00 0.00 C ATOM 162 NZ LYS A 12 16.959 15.256 1.892 1.00 0.00 N ATOM 0 H LYS A 12 12.386 17.977 0.896 1.00 0.00 H new ATOM 0 HA LYS A 12 11.642 16.314 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.235 15.241 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.533 15.094 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.118 17.577 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.960 17.606 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.702 15.434 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.324 17.068 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.492 17.331 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.132 16.276 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.225 15.227 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.494 14.363 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.812 15.385 1.312 1.00 0.00 H new ATOM 176 N ARG A 13 9.550 15.505 -0.036 1.00 0.00 N ATOM 177 CA ARG A 13 8.499 14.652 0.586 1.00 0.00 C ATOM 178 C ARG A 13 8.002 13.634 -0.443 1.00 0.00 C ATOM 179 O ARG A 13 6.835 13.588 -0.773 1.00 0.00 O ATOM 180 CB ARG A 13 7.332 15.529 1.043 1.00 0.00 C ATOM 181 CG ARG A 13 6.741 14.957 2.337 1.00 0.00 C ATOM 182 CD ARG A 13 5.316 15.483 2.540 1.00 0.00 C ATOM 183 NE ARG A 13 4.357 14.338 2.654 1.00 0.00 N ATOM 184 CZ ARG A 13 4.387 13.341 1.806 1.00 0.00 C ATOM 185 NH1 ARG A 13 5.199 13.363 0.786 1.00 0.00 N ATOM 186 NH2 ARG A 13 3.581 12.328 1.969 1.00 0.00 N ATOM 0 H ARG A 13 9.221 16.132 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 13 8.915 14.129 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.673 16.551 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.567 15.569 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.732 13.868 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.365 15.236 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.271 16.096 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.033 16.123 1.704 1.00 0.00 H new ATOM 0 HE ARG A 13 3.668 14.335 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.818 14.161 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.216 12.582 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.931 12.315 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.601 11.549 1.311 1.00 0.00 H new ATOM 200 N LYS A 14 8.884 12.820 -0.955 1.00 0.00 N ATOM 201 CA LYS A 14 8.466 11.807 -1.964 1.00 0.00 C ATOM 202 C LYS A 14 8.302 10.445 -1.288 1.00 0.00 C ATOM 203 O LYS A 14 7.207 9.941 -1.143 1.00 0.00 O ATOM 204 CB LYS A 14 9.533 11.706 -3.055 1.00 0.00 C ATOM 205 CG LYS A 14 9.742 13.080 -3.694 1.00 0.00 C ATOM 206 CD LYS A 14 8.668 13.318 -4.755 1.00 0.00 C ATOM 207 CE LYS A 14 9.234 12.991 -6.138 1.00 0.00 C ATOM 208 NZ LYS A 14 8.220 13.319 -7.180 1.00 0.00 N ATOM 0 H LYS A 14 9.876 12.813 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 14 7.517 12.108 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.469 11.345 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.227 10.984 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.694 13.858 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.733 13.136 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.796 12.696 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.334 14.355 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.147 13.559 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.500 11.935 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.604 13.097 -8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.360 12.758 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.987 14.331 -7.131 1.00 0.00 H new ATOM 222 N ARG A 15 9.384 9.844 -0.876 1.00 0.00 N ATOM 223 CA ARG A 15 9.290 8.513 -0.214 1.00 0.00 C ATOM 224 C ARG A 15 9.131 7.429 -1.282 1.00 0.00 C ATOM 225 O ARG A 15 8.035 7.112 -1.701 1.00 0.00 O ATOM 226 CB ARG A 15 8.079 8.493 0.720 1.00 0.00 C ATOM 227 CG ARG A 15 8.360 7.555 1.895 1.00 0.00 C ATOM 228 CD ARG A 15 7.256 7.707 2.944 1.00 0.00 C ATOM 229 NE ARG A 15 7.866 7.895 4.296 1.00 0.00 N ATOM 230 CZ ARG A 15 8.886 7.171 4.676 1.00 0.00 C ATOM 231 NH1 ARG A 15 9.343 6.220 3.908 1.00 0.00 N ATOM 232 NH2 ARG A 15 9.437 7.386 5.840 1.00 0.00 N ATOM 0 H ARG A 15 10.329 10.217 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 15 10.195 8.326 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.871 9.499 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.193 8.160 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.407 6.523 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.330 7.787 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.623 8.560 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.616 6.824 2.943 1.00 0.00 H new ATOM 0 HE ARG A 15 7.482 8.596 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.904 6.038 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.139 5.659 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.071 8.117 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.233 6.823 6.139 1.00 0.00 H new ATOM 246 N ARG A 16 10.217 6.862 -1.728 1.00 0.00 N ATOM 247 CA ARG A 16 10.132 5.803 -2.773 1.00 0.00 C ATOM 248 C ARG A 16 9.736 4.472 -2.126 1.00 0.00 C ATOM 249 O ARG A 16 10.120 4.171 -1.014 1.00 0.00 O ATOM 250 CB ARG A 16 11.494 5.667 -3.467 1.00 0.00 C ATOM 251 CG ARG A 16 11.799 4.193 -3.755 1.00 0.00 C ATOM 252 CD ARG A 16 12.891 4.098 -4.822 1.00 0.00 C ATOM 253 NE ARG A 16 14.069 4.905 -4.398 1.00 0.00 N ATOM 254 CZ ARG A 16 15.222 4.734 -4.983 1.00 0.00 C ATOM 255 NH1 ARG A 16 15.345 3.854 -5.939 1.00 0.00 N ATOM 256 NH2 ARG A 16 16.254 5.442 -4.612 1.00 0.00 N ATOM 0 H ARG A 16 11.161 7.086 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 16 9.377 6.074 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.494 6.234 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.275 6.091 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.123 3.692 -2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.897 3.684 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.182 3.058 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.513 4.460 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 16 13.974 5.592 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.539 3.300 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.247 3.721 -6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.159 6.129 -3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.156 5.308 -5.070 1.00 0.00 H new ATOM 270 N VAL A 17 8.974 3.673 -2.825 1.00 0.00 N ATOM 271 CA VAL A 17 8.551 2.357 -2.266 1.00 0.00 C ATOM 272 C VAL A 17 8.008 1.479 -3.395 1.00 0.00 C ATOM 273 O VAL A 17 7.569 1.969 -4.417 1.00 0.00 O ATOM 274 CB VAL A 17 7.460 2.576 -1.217 1.00 0.00 C ATOM 275 CG1 VAL A 17 6.753 1.251 -0.933 1.00 0.00 C ATOM 276 CG2 VAL A 17 8.091 3.104 0.074 1.00 0.00 C ATOM 0 H VAL A 17 8.626 3.876 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 17 9.405 1.865 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 17 6.737 3.301 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.975 1.407 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.303 0.874 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.476 0.526 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.313 3.260 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.814 2.379 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.595 4.049 -0.128 1.00 0.00 H new ATOM 286 N LEU A 18 8.035 0.185 -3.224 1.00 0.00 N ATOM 287 CA LEU A 18 7.521 -0.720 -4.293 1.00 0.00 C ATOM 288 C LEU A 18 6.307 -1.491 -3.774 1.00 0.00 C ATOM 289 O LEU A 18 5.324 -0.903 -3.391 1.00 0.00 O ATOM 290 CB LEU A 18 8.615 -1.711 -4.696 1.00 0.00 C ATOM 291 CG LEU A 18 9.944 -0.973 -4.842 1.00 0.00 C ATOM 292 CD1 LEU A 18 11.007 -1.934 -5.379 1.00 0.00 C ATOM 293 CD2 LEU A 18 9.775 0.194 -5.817 1.00 0.00 C ATOM 0 H LEU A 18 8.390 -0.285 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 18 7.231 -0.124 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.704 -2.496 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.352 -2.197 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 18 10.256 -0.593 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.955 -1.406 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.129 -2.766 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.695 -2.315 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.723 0.721 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.462 -0.187 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.019 0.880 -5.436 1.00 0.00 H new ATOM 305 N PHE A 19 6.397 -2.800 -3.772 1.00 0.00 N ATOM 306 CA PHE A 19 5.295 -3.693 -3.294 1.00 0.00 C ATOM 307 C PHE A 19 4.869 -4.618 -4.435 1.00 0.00 C ATOM 308 O PHE A 19 4.664 -4.187 -5.551 1.00 0.00 O ATOM 309 CB PHE A 19 4.054 -2.914 -2.840 1.00 0.00 C ATOM 310 CG PHE A 19 4.310 -2.120 -1.569 1.00 0.00 C ATOM 311 CD1 PHE A 19 4.983 -2.696 -0.477 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.853 -0.797 -1.483 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.197 -1.946 0.686 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.069 -0.051 -0.320 1.00 0.00 C ATOM 315 CZ PHE A 19 4.742 -0.625 0.764 1.00 0.00 C ATOM 0 H PHE A 19 7.223 -3.304 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 19 5.685 -4.247 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.742 -2.236 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.231 -3.609 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.334 -3.716 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.332 -0.352 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.714 -2.388 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.716 0.968 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.910 -0.048 1.661 1.00 0.00 H new ATOM 325 N THR A 20 4.709 -5.883 -4.157 1.00 0.00 N ATOM 326 CA THR A 20 4.267 -6.825 -5.224 1.00 0.00 C ATOM 327 C THR A 20 2.991 -6.247 -5.869 1.00 0.00 C ATOM 328 O THR A 20 2.060 -5.925 -5.159 1.00 0.00 O ATOM 329 CB THR A 20 3.937 -8.182 -4.597 1.00 0.00 C ATOM 330 OG1 THR A 20 2.743 -8.071 -3.837 1.00 0.00 O ATOM 331 CG2 THR A 20 5.086 -8.622 -3.691 1.00 0.00 C ATOM 0 H THR A 20 4.865 -6.304 -3.241 1.00 0.00 H new ATOM 0 HA THR A 20 5.053 -6.952 -5.969 1.00 0.00 H new ATOM 0 HB THR A 20 3.798 -8.923 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.606 -8.893 -3.322 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.849 -9.588 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.000 -8.708 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.230 -7.884 -2.902 1.00 0.00 H new ATOM 339 N LYS A 21 2.895 -6.104 -7.182 1.00 0.00 N ATOM 340 CA LYS A 21 1.630 -5.553 -7.735 1.00 0.00 C ATOM 341 C LYS A 21 0.485 -6.246 -7.010 1.00 0.00 C ATOM 342 O LYS A 21 -0.641 -5.800 -7.019 1.00 0.00 O ATOM 343 CB LYS A 21 1.546 -5.838 -9.239 1.00 0.00 C ATOM 344 CG LYS A 21 1.650 -4.527 -10.023 1.00 0.00 C ATOM 345 CD LYS A 21 3.109 -4.065 -10.056 1.00 0.00 C ATOM 346 CE LYS A 21 3.195 -2.688 -10.718 1.00 0.00 C ATOM 347 NZ LYS A 21 2.981 -2.828 -12.187 1.00 0.00 N ATOM 0 H LYS A 21 3.618 -6.339 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 21 1.583 -4.473 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.348 -6.514 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.606 -6.338 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.279 -4.668 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.026 -3.763 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.510 -4.019 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.716 -4.783 -10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.445 -2.021 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.169 -2.239 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.140 -1.910 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.647 -3.529 -12.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.006 -3.143 -12.367 1.00 0.00 H new ATOM 361 N ALA A 22 0.800 -7.334 -6.362 1.00 0.00 N ATOM 362 CA ALA A 22 -0.211 -8.097 -5.588 1.00 0.00 C ATOM 363 C ALA A 22 -0.542 -7.317 -4.315 1.00 0.00 C ATOM 364 O ALA A 22 -1.621 -6.784 -4.163 1.00 0.00 O ATOM 365 CB ALA A 22 0.404 -9.444 -5.215 1.00 0.00 C ATOM 0 H ALA A 22 1.739 -7.732 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.120 -8.246 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.318 -10.028 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.672 -9.985 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.297 -9.282 -4.612 1.00 0.00 H new ATOM 371 N GLN A 23 0.390 -7.223 -3.408 1.00 0.00 N ATOM 372 CA GLN A 23 0.131 -6.445 -2.168 1.00 0.00 C ATOM 373 C GLN A 23 -0.674 -5.216 -2.558 1.00 0.00 C ATOM 374 O GLN A 23 -1.884 -5.180 -2.462 1.00 0.00 O ATOM 375 CB GLN A 23 1.464 -5.974 -1.594 1.00 0.00 C ATOM 376 CG GLN A 23 2.257 -7.178 -1.075 1.00 0.00 C ATOM 377 CD GLN A 23 3.746 -6.833 -1.008 1.00 0.00 C ATOM 378 OE1 GLN A 23 4.550 -7.641 -0.585 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.152 -5.658 -1.404 1.00 0.00 N ATOM 0 H GLN A 23 1.314 -7.649 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.400 -7.053 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.037 -5.452 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.292 -5.264 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.896 -7.463 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.103 -8.035 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.479 -4.979 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.142 -5.419 -1.358 1.00 0.00 H new ATOM 388 N THR A 24 0.015 -4.222 -3.033 1.00 0.00 N ATOM 389 CA THR A 24 -0.642 -2.978 -3.481 1.00 0.00 C ATOM 390 C THR A 24 -2.025 -3.294 -4.052 1.00 0.00 C ATOM 391 O THR A 24 -2.961 -2.541 -3.873 1.00 0.00 O ATOM 392 CB THR A 24 0.231 -2.367 -4.566 1.00 0.00 C ATOM 393 OG1 THR A 24 1.406 -1.829 -3.978 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.530 -1.260 -5.296 1.00 0.00 C ATOM 0 H THR A 24 1.030 -4.224 -3.130 1.00 0.00 H new ATOM 0 HA THR A 24 -0.764 -2.288 -2.646 1.00 0.00 H new ATOM 0 HB THR A 24 0.501 -3.141 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.971 -1.436 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.106 -0.831 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.428 -1.676 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.812 -0.483 -4.586 1.00 0.00 H new ATOM 402 N TYR A 25 -2.175 -4.401 -4.737 1.00 0.00 N ATOM 403 CA TYR A 25 -3.507 -4.727 -5.294 1.00 0.00 C ATOM 404 C TYR A 25 -4.433 -5.059 -4.123 1.00 0.00 C ATOM 405 O TYR A 25 -5.223 -4.241 -3.696 1.00 0.00 O ATOM 406 CB TYR A 25 -3.381 -5.911 -6.260 1.00 0.00 C ATOM 407 CG TYR A 25 -4.467 -6.841 -6.101 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.721 -6.483 -6.513 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.193 -8.088 -5.611 1.00 0.00 C ATOM 410 CE1 TYR A 25 -6.738 -7.391 -6.433 1.00 0.00 C ATOM 411 CE2 TYR A 25 -5.197 -9.008 -5.515 1.00 0.00 C ATOM 412 CZ TYR A 25 -6.493 -8.675 -5.930 1.00 0.00 C ATOM 413 OH TYR A 25 -7.513 -9.600 -5.845 1.00 0.00 O ATOM 0 H TYR A 25 -1.438 -5.080 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.918 -3.887 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.363 -5.544 -7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.434 -6.423 -6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.905 -5.491 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.190 -8.343 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.731 -7.119 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.992 -9.992 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.165 -10.438 -5.474 1.00 0.00 H new ATOM 423 N GLU A 26 -4.316 -6.235 -3.569 1.00 0.00 N ATOM 424 CA GLU A 26 -5.165 -6.575 -2.396 1.00 0.00 C ATOM 425 C GLU A 26 -5.199 -5.350 -1.491 1.00 0.00 C ATOM 426 O GLU A 26 -6.242 -4.847 -1.122 1.00 0.00 O ATOM 427 CB GLU A 26 -4.522 -7.724 -1.627 1.00 0.00 C ATOM 428 CG GLU A 26 -5.140 -9.057 -2.053 1.00 0.00 C ATOM 429 CD GLU A 26 -6.647 -9.038 -1.787 1.00 0.00 C ATOM 430 OE1 GLU A 26 -7.091 -8.157 -1.069 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.331 -9.903 -2.308 1.00 0.00 O ATOM 0 H GLU A 26 -3.676 -6.967 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.166 -6.863 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.448 -7.738 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.660 -7.577 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.950 -9.234 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.675 -9.876 -1.504 1.00 0.00 H new ATOM 438 N LEU A 27 -4.038 -4.864 -1.154 1.00 0.00 N ATOM 439 CA LEU A 27 -3.920 -3.669 -0.297 1.00 0.00 C ATOM 440 C LEU A 27 -4.813 -2.562 -0.862 1.00 0.00 C ATOM 441 O LEU A 27 -5.347 -1.746 -0.135 1.00 0.00 O ATOM 442 CB LEU A 27 -2.449 -3.264 -0.326 1.00 0.00 C ATOM 443 CG LEU A 27 -2.251 -1.846 0.198 1.00 0.00 C ATOM 444 CD1 LEU A 27 -2.521 -1.825 1.699 1.00 0.00 C ATOM 445 CD2 LEU A 27 -0.804 -1.421 -0.073 1.00 0.00 C ATOM 0 H LEU A 27 -3.146 -5.262 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.238 -3.858 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.866 -3.961 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.071 -3.332 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.936 -1.160 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.381 -0.813 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.545 -2.146 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.830 -2.501 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.647 -0.408 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.123 -2.103 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.611 -1.450 -1.145 1.00 0.00 H new ATOM 457 N GLU A 28 -4.995 -2.541 -2.154 1.00 0.00 N ATOM 458 CA GLU A 28 -5.872 -1.506 -2.770 1.00 0.00 C ATOM 459 C GLU A 28 -7.320 -1.986 -2.672 1.00 0.00 C ATOM 460 O GLU A 28 -8.245 -1.202 -2.589 1.00 0.00 O ATOM 461 CB GLU A 28 -5.493 -1.322 -4.243 1.00 0.00 C ATOM 462 CG GLU A 28 -4.520 -0.147 -4.389 1.00 0.00 C ATOM 463 CD GLU A 28 -5.285 1.091 -4.861 1.00 0.00 C ATOM 464 OE1 GLU A 28 -6.501 1.087 -4.760 1.00 0.00 O ATOM 465 OE2 GLU A 28 -4.642 2.024 -5.316 1.00 0.00 O ATOM 0 H GLU A 28 -4.573 -3.198 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.753 -0.554 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.035 -2.234 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.388 -1.140 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.031 0.055 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.735 -0.397 -5.103 1.00 0.00 H new ATOM 472 N ARG A 29 -7.517 -3.277 -2.677 1.00 0.00 N ATOM 473 CA ARG A 29 -8.897 -3.826 -2.578 1.00 0.00 C ATOM 474 C ARG A 29 -9.488 -3.458 -1.214 1.00 0.00 C ATOM 475 O ARG A 29 -10.552 -2.878 -1.127 1.00 0.00 O ATOM 476 CB ARG A 29 -8.840 -5.352 -2.725 1.00 0.00 C ATOM 477 CG ARG A 29 -8.917 -5.741 -4.206 1.00 0.00 C ATOM 478 CD ARG A 29 -9.389 -7.190 -4.326 1.00 0.00 C ATOM 479 NE ARG A 29 -10.767 -7.309 -3.773 1.00 0.00 N ATOM 480 CZ ARG A 29 -11.491 -8.360 -4.044 1.00 0.00 C ATOM 481 NH1 ARG A 29 -11.012 -9.304 -4.805 1.00 0.00 N ATOM 482 NH2 ARG A 29 -12.696 -8.464 -3.554 1.00 0.00 N ATOM 0 H ARG A 29 -6.778 -3.976 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.523 -3.409 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.917 -5.733 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.664 -5.809 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.604 -5.078 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.940 -5.625 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.376 -7.503 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.710 -7.851 -3.787 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.145 -6.568 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.071 -9.221 -5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.579 -10.125 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.071 -7.724 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.263 -9.285 -3.765 1.00 0.00 H new ATOM 496 N ARG A 30 -8.803 -3.779 -0.147 1.00 0.00 N ATOM 497 CA ARG A 30 -9.330 -3.431 1.206 1.00 0.00 C ATOM 498 C ARG A 30 -9.793 -1.970 1.180 1.00 0.00 C ATOM 499 O ARG A 30 -10.836 -1.624 1.697 1.00 0.00 O ATOM 500 CB ARG A 30 -8.205 -3.593 2.251 1.00 0.00 C ATOM 501 CG ARG A 30 -8.682 -4.234 3.586 1.00 0.00 C ATOM 502 CD ARG A 30 -10.108 -3.798 3.977 1.00 0.00 C ATOM 503 NE ARG A 30 -11.006 -4.988 4.177 1.00 0.00 N ATOM 504 CZ ARG A 30 -11.009 -6.021 3.361 1.00 0.00 C ATOM 505 NH1 ARG A 30 -10.209 -6.082 2.332 1.00 0.00 N ATOM 506 NH2 ARG A 30 -11.826 -7.012 3.591 1.00 0.00 N ATOM 0 H ARG A 30 -7.906 -4.265 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.161 -4.086 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.411 -4.208 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.773 -2.615 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.650 -5.320 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.991 -3.960 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.072 -3.208 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.520 -3.155 3.200 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.638 -4.995 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.561 -5.317 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.232 -6.894 1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.452 -6.980 4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.838 -7.818 2.966 1.00 0.00 H new ATOM 520 N PHE A 31 -9.017 -1.110 0.574 1.00 0.00 N ATOM 521 CA PHE A 31 -9.399 0.331 0.506 1.00 0.00 C ATOM 522 C PHE A 31 -10.862 0.457 0.073 1.00 0.00 C ATOM 523 O PHE A 31 -11.521 1.436 0.360 1.00 0.00 O ATOM 524 CB PHE A 31 -8.500 1.053 -0.502 1.00 0.00 C ATOM 525 CG PHE A 31 -8.762 2.539 -0.440 1.00 0.00 C ATOM 526 CD1 PHE A 31 -9.942 3.065 -0.979 1.00 0.00 C ATOM 527 CD2 PHE A 31 -7.826 3.391 0.158 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.184 4.444 -0.921 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.068 4.768 0.216 1.00 0.00 C ATOM 530 CZ PHE A 31 -9.247 5.294 -0.323 1.00 0.00 C ATOM 0 H PHE A 31 -8.133 -1.344 0.122 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.275 0.784 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.452 0.849 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.693 0.681 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.665 2.408 -1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.916 2.985 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.094 4.851 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.345 5.425 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.434 6.357 -0.278 1.00 0.00 H new ATOM 540 N ARG A 32 -11.376 -0.526 -0.614 1.00 0.00 N ATOM 541 CA ARG A 32 -12.796 -0.458 -1.061 1.00 0.00 C ATOM 542 C ARG A 32 -13.722 -0.521 0.157 1.00 0.00 C ATOM 543 O ARG A 32 -14.386 0.439 0.492 1.00 0.00 O ATOM 544 CB ARG A 32 -13.093 -1.636 -1.992 1.00 0.00 C ATOM 545 CG ARG A 32 -12.368 -1.428 -3.323 1.00 0.00 C ATOM 546 CD ARG A 32 -13.210 -2.005 -4.461 1.00 0.00 C ATOM 547 NE ARG A 32 -13.661 -3.378 -4.098 1.00 0.00 N ATOM 548 CZ ARG A 32 -14.625 -3.946 -4.770 1.00 0.00 C ATOM 549 NH1 ARG A 32 -15.194 -3.311 -5.758 1.00 0.00 N ATOM 550 NH2 ARG A 32 -15.020 -5.148 -4.453 1.00 0.00 N ATOM 0 H ARG A 32 -10.875 -1.372 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.964 0.478 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.769 -2.569 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.167 -1.720 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.191 -0.365 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.392 -1.913 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.072 -1.366 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.626 -2.034 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.217 -3.874 -3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.885 -2.371 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.947 -3.755 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.576 -5.644 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.773 -5.592 -4.978 1.00 0.00 H new ATOM 564 N GLN A 33 -13.773 -1.644 0.821 1.00 0.00 N ATOM 565 CA GLN A 33 -14.657 -1.768 2.015 1.00 0.00 C ATOM 566 C GLN A 33 -14.121 -0.886 3.146 1.00 0.00 C ATOM 567 O GLN A 33 -14.814 -0.596 4.101 1.00 0.00 O ATOM 568 CB GLN A 33 -14.687 -3.225 2.478 1.00 0.00 C ATOM 569 CG GLN A 33 -15.646 -4.023 1.592 1.00 0.00 C ATOM 570 CD GLN A 33 -15.941 -5.374 2.247 1.00 0.00 C ATOM 571 OE1 GLN A 33 -15.908 -5.496 3.455 1.00 0.00 O ATOM 572 NE2 GLN A 33 -16.228 -6.401 1.495 1.00 0.00 N ATOM 0 H GLN A 33 -13.240 -2.482 0.588 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.665 -1.447 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.686 -3.654 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.006 -3.280 3.519 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.572 -3.467 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -15.207 -4.173 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.256 -6.298 0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.425 -7.306 1.922 1.00 0.00 H new ATOM 581 N GLN A 34 -12.895 -0.454 3.044 1.00 0.00 N ATOM 582 CA GLN A 34 -12.319 0.411 4.107 1.00 0.00 C ATOM 583 C GLN A 34 -11.800 1.700 3.470 1.00 0.00 C ATOM 584 O GLN A 34 -10.876 1.686 2.682 1.00 0.00 O ATOM 585 CB GLN A 34 -11.165 -0.320 4.802 1.00 0.00 C ATOM 586 CG GLN A 34 -11.519 -0.565 6.268 1.00 0.00 C ATOM 587 CD GLN A 34 -12.889 -1.240 6.364 1.00 0.00 C ATOM 588 OE1 GLN A 34 -13.850 -0.632 6.791 1.00 0.00 O ATOM 589 NE2 GLN A 34 -13.021 -2.482 5.984 1.00 0.00 N ATOM 0 H GLN A 34 -12.267 -0.664 2.268 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.086 0.646 4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.969 -1.268 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.252 0.272 4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.760 -1.193 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.530 0.380 6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.215 -2.994 5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.930 -2.940 6.046 1.00 0.00 H new ATOM 598 N ARG A 35 -12.386 2.811 3.803 1.00 0.00 N ATOM 599 CA ARG A 35 -11.935 4.096 3.222 1.00 0.00 C ATOM 600 C ARG A 35 -10.578 4.464 3.831 1.00 0.00 C ATOM 601 O ARG A 35 -9.711 4.995 3.165 1.00 0.00 O ATOM 602 CB ARG A 35 -13.005 5.157 3.526 1.00 0.00 C ATOM 603 CG ARG A 35 -12.451 6.257 4.422 1.00 0.00 C ATOM 604 CD ARG A 35 -13.470 7.392 4.522 1.00 0.00 C ATOM 605 NE ARG A 35 -12.900 8.496 5.342 1.00 0.00 N ATOM 606 CZ ARG A 35 -13.468 9.670 5.338 1.00 0.00 C ATOM 607 NH1 ARG A 35 -14.544 9.870 4.628 1.00 0.00 N ATOM 608 NH2 ARG A 35 -12.963 10.641 6.046 1.00 0.00 N ATOM 0 H ARG A 35 -13.164 2.883 4.458 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.809 4.028 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.366 5.591 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.860 4.686 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.235 5.859 5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.511 6.632 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.724 7.757 3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.393 7.028 4.973 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.066 8.334 5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.940 9.109 4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.989 10.788 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.123 10.483 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.407 11.559 6.043 1.00 0.00 H new ATOM 622 N TYR A 36 -10.383 4.176 5.090 1.00 0.00 N ATOM 623 CA TYR A 36 -9.075 4.501 5.736 1.00 0.00 C ATOM 624 C TYR A 36 -8.668 3.379 6.699 1.00 0.00 C ATOM 625 O TYR A 36 -8.263 3.638 7.813 1.00 0.00 O ATOM 626 CB TYR A 36 -9.186 5.821 6.509 1.00 0.00 C ATOM 627 CG TYR A 36 -10.570 5.986 7.097 1.00 0.00 C ATOM 628 CD1 TYR A 36 -11.340 4.866 7.412 1.00 0.00 C ATOM 629 CD2 TYR A 36 -11.081 7.270 7.327 1.00 0.00 C ATOM 630 CE1 TYR A 36 -12.620 5.023 7.957 1.00 0.00 C ATOM 631 CE2 TYR A 36 -12.361 7.429 7.871 1.00 0.00 C ATOM 632 CZ TYR A 36 -13.130 6.305 8.186 1.00 0.00 C ATOM 633 OH TYR A 36 -14.394 6.460 8.723 1.00 0.00 O ATOM 0 H TYR A 36 -11.070 3.731 5.699 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.317 4.599 4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.443 5.844 7.306 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.967 6.656 5.844 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.948 3.875 7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.487 8.138 7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.214 4.154 8.201 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.754 8.419 8.047 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.594 7.415 8.819 1.00 0.00 H new ATOM 643 N LEU A 37 -8.759 2.142 6.262 1.00 0.00 N ATOM 644 CA LEU A 37 -8.372 0.971 7.149 1.00 0.00 C ATOM 645 C LEU A 37 -8.406 1.387 8.633 1.00 0.00 C ATOM 646 O LEU A 37 -9.238 2.173 9.040 1.00 0.00 O ATOM 647 CB LEU A 37 -6.967 0.487 6.753 1.00 0.00 C ATOM 648 CG LEU A 37 -7.029 -0.989 6.320 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.055 -1.130 5.203 1.00 0.00 C ATOM 650 CD2 LEU A 37 -5.676 -1.433 5.763 1.00 0.00 C ATOM 0 H LEU A 37 -9.084 1.883 5.330 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.085 0.158 7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.577 1.099 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.282 0.601 7.593 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.295 -1.598 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.108 -2.172 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.032 -0.810 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.760 -0.509 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.733 -2.479 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.418 -0.819 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.911 -1.319 6.531 1.00 0.00 H new ATOM 662 N SER A 38 -7.525 0.854 9.445 1.00 0.00 N ATOM 663 CA SER A 38 -7.507 1.193 10.890 1.00 0.00 C ATOM 664 C SER A 38 -6.995 -0.026 11.652 1.00 0.00 C ATOM 665 O SER A 38 -7.272 -1.150 11.299 1.00 0.00 O ATOM 666 CB SER A 38 -8.908 1.562 11.381 1.00 0.00 C ATOM 667 OG SER A 38 -9.018 1.263 12.763 1.00 0.00 O ATOM 0 H SER A 38 -6.809 0.188 9.156 1.00 0.00 H new ATOM 0 HA SER A 38 -6.859 2.053 11.058 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.097 2.622 11.211 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.660 1.010 10.817 1.00 0.00 H new ATOM 0 HG SER A 38 -9.915 1.501 13.079 1.00 0.00 H new ATOM 673 N ALA A 39 -6.229 0.196 12.672 1.00 0.00 N ATOM 674 CA ALA A 39 -5.662 -0.938 13.470 1.00 0.00 C ATOM 675 C ALA A 39 -6.572 -2.172 13.378 1.00 0.00 C ATOM 676 O ALA A 39 -6.147 -3.212 12.916 1.00 0.00 O ATOM 677 CB ALA A 39 -5.506 -0.508 14.932 1.00 0.00 C ATOM 0 H ALA A 39 -5.962 1.124 12.999 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.686 -1.201 13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.093 -1.334 15.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.833 0.348 14.990 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.480 -0.232 15.336 1.00 0.00 H new ATOM 683 N PRO A 40 -7.799 -2.022 13.809 1.00 0.00 N ATOM 684 CA PRO A 40 -8.713 -3.176 13.729 1.00 0.00 C ATOM 685 C PRO A 40 -8.990 -3.575 12.281 1.00 0.00 C ATOM 686 O PRO A 40 -9.276 -4.716 11.978 1.00 0.00 O ATOM 687 CB PRO A 40 -9.987 -2.784 14.421 1.00 0.00 C ATOM 688 CG PRO A 40 -9.786 -1.360 14.850 1.00 0.00 C ATOM 689 CD PRO A 40 -8.314 -1.003 14.715 1.00 0.00 C ATOM 0 HA PRO A 40 -8.259 -4.043 14.209 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.842 -2.875 13.751 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.183 -3.429 15.278 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.392 -0.693 14.237 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.112 -1.229 15.882 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.180 -0.000 14.309 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.805 -1.028 15.678 1.00 0.00 H new ATOM 697 N GLU A 41 -8.898 -2.634 11.386 1.00 0.00 N ATOM 698 CA GLU A 41 -9.144 -2.927 9.947 1.00 0.00 C ATOM 699 C GLU A 41 -7.852 -3.409 9.319 1.00 0.00 C ATOM 700 O GLU A 41 -7.778 -4.480 8.750 1.00 0.00 O ATOM 701 CB GLU A 41 -9.544 -1.645 9.236 1.00 0.00 C ATOM 702 CG GLU A 41 -11.051 -1.545 9.133 1.00 0.00 C ATOM 703 CD GLU A 41 -11.680 -1.676 10.521 1.00 0.00 C ATOM 704 OE1 GLU A 41 -11.615 -0.717 11.272 1.00 0.00 O ATOM 705 OE2 GLU A 41 -12.217 -2.733 10.809 1.00 0.00 O ATOM 0 H GLU A 41 -8.660 -1.664 11.592 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.929 -3.678 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.153 -0.784 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.103 -1.622 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.331 -0.591 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.432 -2.328 8.477 1.00 0.00 H new ATOM 712 N ARG A 42 -6.831 -2.611 9.427 1.00 0.00 N ATOM 713 CA ARG A 42 -5.530 -3.003 8.850 1.00 0.00 C ATOM 714 C ARG A 42 -5.361 -4.493 9.111 1.00 0.00 C ATOM 715 O ARG A 42 -5.094 -5.279 8.222 1.00 0.00 O ATOM 716 CB ARG A 42 -4.410 -2.264 9.559 1.00 0.00 C ATOM 717 CG ARG A 42 -4.340 -0.779 9.172 1.00 0.00 C ATOM 718 CD ARG A 42 -3.410 -0.010 10.121 1.00 0.00 C ATOM 719 NE ARG A 42 -3.281 -0.718 11.424 1.00 0.00 N ATOM 720 CZ ARG A 42 -2.321 -0.397 12.248 1.00 0.00 C ATOM 721 NH1 ARG A 42 -1.466 0.533 11.923 1.00 0.00 N ATOM 722 NH2 ARG A 42 -2.217 -1.006 13.398 1.00 0.00 N ATOM 0 H ARG A 42 -6.846 -1.703 9.892 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.497 -2.769 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.550 -2.348 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.459 -2.742 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.981 -0.682 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.339 -0.343 9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.427 0.101 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.800 0.994 10.285 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.942 -1.454 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.548 1.009 11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.716 0.784 12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.886 -1.733 13.653 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.467 -0.755 14.042 1.00 0.00 H new ATOM 736 N GLU A 43 -5.547 -4.879 10.342 1.00 0.00 N ATOM 737 CA GLU A 43 -5.441 -6.309 10.718 1.00 0.00 C ATOM 738 C GLU A 43 -5.978 -7.164 9.568 1.00 0.00 C ATOM 739 O GLU A 43 -5.311 -8.051 9.071 1.00 0.00 O ATOM 740 CB GLU A 43 -6.296 -6.526 11.959 1.00 0.00 C ATOM 741 CG GLU A 43 -5.391 -6.709 13.177 1.00 0.00 C ATOM 742 CD GLU A 43 -4.759 -8.101 13.142 1.00 0.00 C ATOM 743 OE1 GLU A 43 -4.921 -8.779 12.143 1.00 0.00 O ATOM 744 OE2 GLU A 43 -4.121 -8.464 14.118 1.00 0.00 O ATOM 0 H GLU A 43 -5.772 -4.251 11.113 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.406 -6.586 10.918 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.959 -5.674 12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.929 -7.403 11.828 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.613 -5.945 13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.968 -6.583 14.093 1.00 0.00 H new ATOM 751 N HIS A 44 -7.186 -6.896 9.140 1.00 0.00 N ATOM 752 CA HIS A 44 -7.780 -7.680 8.020 1.00 0.00 C ATOM 753 C HIS A 44 -6.792 -7.722 6.853 1.00 0.00 C ATOM 754 O HIS A 44 -6.581 -8.752 6.244 1.00 0.00 O ATOM 755 CB HIS A 44 -9.083 -7.020 7.567 1.00 0.00 C ATOM 756 CG HIS A 44 -10.176 -7.345 8.550 1.00 0.00 C ATOM 757 ND1 HIS A 44 -10.396 -6.585 9.688 1.00 0.00 N ATOM 758 CD2 HIS A 44 -11.114 -8.347 8.582 1.00 0.00 C ATOM 759 CE1 HIS A 44 -11.430 -7.135 10.350 1.00 0.00 C ATOM 760 NE2 HIS A 44 -11.905 -8.212 9.719 1.00 0.00 N ATOM 0 H HIS A 44 -7.787 -6.165 9.521 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.990 -8.695 8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.951 -5.940 7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.356 -7.373 6.573 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.222 -9.122 7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.827 -6.752 11.278 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.681 -8.808 10.008 1.00 0.00 H new ATOM 768 N LEU A 45 -6.163 -6.617 6.553 1.00 0.00 N ATOM 769 CA LEU A 45 -5.170 -6.608 5.449 1.00 0.00 C ATOM 770 C LEU A 45 -3.966 -7.377 5.926 1.00 0.00 C ATOM 771 O LEU A 45 -3.556 -8.369 5.355 1.00 0.00 O ATOM 772 CB LEU A 45 -4.732 -5.154 5.159 1.00 0.00 C ATOM 773 CG LEU A 45 -3.622 -5.102 4.161 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.338 -5.652 4.799 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.131 -5.884 2.945 1.00 0.00 C ATOM 0 H LEU A 45 -6.296 -5.723 7.026 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.598 -7.046 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.584 -4.584 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.411 -4.678 6.086 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.356 -4.096 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.526 -5.615 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.076 -5.048 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.500 -6.684 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.366 -5.888 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.355 -6.909 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.035 -5.411 2.561 1.00 0.00 H new ATOM 787 N THR A 46 -3.377 -6.871 6.953 1.00 0.00 N ATOM 788 CA THR A 46 -2.158 -7.466 7.514 1.00 0.00 C ATOM 789 C THR A 46 -2.286 -8.985 7.525 1.00 0.00 C ATOM 790 O THR A 46 -1.313 -9.703 7.639 1.00 0.00 O ATOM 791 CB THR A 46 -2.009 -6.849 8.883 1.00 0.00 C ATOM 792 OG1 THR A 46 -3.296 -6.679 9.420 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.355 -5.482 8.712 1.00 0.00 C ATOM 0 H THR A 46 -3.704 -6.039 7.444 1.00 0.00 H new ATOM 0 HA THR A 46 -1.261 -7.266 6.928 1.00 0.00 H new ATOM 0 HB THR A 46 -1.405 -7.476 9.539 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.736 -7.551 9.498 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.235 -5.012 9.688 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.378 -5.602 8.244 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.984 -4.854 8.082 1.00 0.00 H new ATOM 801 N SER A 47 -3.470 -9.481 7.326 1.00 0.00 N ATOM 802 CA SER A 47 -3.646 -10.951 7.228 1.00 0.00 C ATOM 803 C SER A 47 -3.411 -11.304 5.756 1.00 0.00 C ATOM 804 O SER A 47 -2.660 -12.197 5.416 1.00 0.00 O ATOM 805 CB SER A 47 -5.066 -11.340 7.641 1.00 0.00 C ATOM 806 OG SER A 47 -5.917 -11.289 6.503 1.00 0.00 O ATOM 0 H SER A 47 -4.324 -8.932 7.227 1.00 0.00 H new ATOM 0 HA SER A 47 -2.957 -11.482 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.071 -12.343 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.431 -10.663 8.413 1.00 0.00 H new ATOM 0 HG SER A 47 -6.472 -10.483 6.546 1.00 0.00 H new ATOM 812 N LEU A 48 -4.064 -10.574 4.888 1.00 0.00 N ATOM 813 CA LEU A 48 -3.947 -10.768 3.437 1.00 0.00 C ATOM 814 C LEU A 48 -2.500 -10.687 2.954 1.00 0.00 C ATOM 815 O LEU A 48 -1.796 -11.676 2.883 1.00 0.00 O ATOM 816 CB LEU A 48 -4.748 -9.642 2.784 1.00 0.00 C ATOM 817 CG LEU A 48 -6.038 -10.210 2.260 1.00 0.00 C ATOM 818 CD1 LEU A 48 -6.956 -10.582 3.427 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.736 -9.192 1.354 1.00 0.00 C ATOM 0 H LEU A 48 -4.699 -9.821 5.154 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.316 -11.759 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.949 -8.852 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.176 -9.192 1.973 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.817 -11.105 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.888 -10.993 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.464 -11.326 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.170 -9.692 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.669 -9.616 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.950 -8.286 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.087 -8.948 0.513 1.00 0.00 H new ATOM 831 N ILE A 49 -2.078 -9.520 2.555 1.00 0.00 N ATOM 832 CA ILE A 49 -0.704 -9.378 1.998 1.00 0.00 C ATOM 833 C ILE A 49 0.293 -8.965 3.085 1.00 0.00 C ATOM 834 O ILE A 49 1.308 -8.349 2.830 1.00 0.00 O ATOM 835 CB ILE A 49 -0.731 -8.409 0.798 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.585 -6.933 1.209 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.061 -8.574 0.053 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.375 -6.643 2.468 1.00 0.00 C ATOM 0 H ILE A 49 -2.624 -8.659 2.590 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.356 -10.343 1.630 1.00 0.00 H new ATOM 0 HB ILE A 49 0.121 -8.661 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.467 -6.699 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.932 -6.290 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.089 -7.892 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.155 -9.600 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.886 -8.346 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.256 -5.594 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.430 -6.855 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.009 -7.271 3.280 1.00 0.00 H new ATOM 850 N ARG A 50 0.014 -9.377 4.290 1.00 0.00 N ATOM 851 CA ARG A 50 0.921 -9.123 5.450 1.00 0.00 C ATOM 852 C ARG A 50 1.436 -7.684 5.529 1.00 0.00 C ATOM 853 O ARG A 50 2.011 -7.311 6.532 1.00 0.00 O ATOM 854 CB ARG A 50 2.113 -10.075 5.366 1.00 0.00 C ATOM 855 CG ARG A 50 1.638 -11.437 4.834 1.00 0.00 C ATOM 856 CD ARG A 50 2.198 -12.582 5.695 1.00 0.00 C ATOM 857 NE ARG A 50 2.741 -13.661 4.814 1.00 0.00 N ATOM 858 CZ ARG A 50 2.107 -14.031 3.732 1.00 0.00 C ATOM 859 NH1 ARG A 50 0.945 -13.517 3.436 1.00 0.00 N ATOM 860 NH2 ARG A 50 2.631 -14.938 2.954 1.00 0.00 N ATOM 0 H ARG A 50 -0.831 -9.896 4.528 1.00 0.00 H new ATOM 0 HA ARG A 50 0.332 -9.293 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.878 -9.661 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.568 -10.194 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.549 -11.474 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.960 -11.562 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.983 -12.206 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.414 -12.984 6.336 1.00 0.00 H new ATOM 0 HE ARG A 50 3.620 -14.116 5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.524 -12.820 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.458 -13.812 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.531 -15.355 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.140 -15.230 2.109 1.00 0.00 H new ATOM 874 N LEU A 51 1.267 -6.864 4.527 1.00 0.00 N ATOM 875 CA LEU A 51 1.795 -5.475 4.665 1.00 0.00 C ATOM 876 C LEU A 51 1.511 -5.011 6.102 1.00 0.00 C ATOM 877 O LEU A 51 0.390 -4.741 6.471 1.00 0.00 O ATOM 878 CB LEU A 51 1.147 -4.534 3.640 1.00 0.00 C ATOM 879 CG LEU A 51 2.137 -4.265 2.507 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.417 -3.547 1.363 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.283 -3.390 3.022 1.00 0.00 C ATOM 0 H LEU A 51 0.802 -7.084 3.646 1.00 0.00 H new ATOM 0 HA LEU A 51 2.867 -5.457 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.235 -4.981 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.861 -3.597 4.119 1.00 0.00 H new ATOM 0 HG LEU A 51 2.541 -5.211 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.121 -3.354 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.604 -4.173 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.012 -2.602 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.988 -3.200 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.883 -2.443 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.795 -3.903 3.836 1.00 0.00 H new ATOM 893 N THR A 52 2.526 -4.986 6.930 1.00 0.00 N ATOM 894 CA THR A 52 2.344 -4.610 8.366 1.00 0.00 C ATOM 895 C THR A 52 1.309 -3.492 8.541 1.00 0.00 C ATOM 896 O THR A 52 1.223 -2.589 7.737 1.00 0.00 O ATOM 897 CB THR A 52 3.676 -4.143 8.940 1.00 0.00 C ATOM 898 OG1 THR A 52 4.377 -3.392 7.958 1.00 0.00 O ATOM 899 CG2 THR A 52 4.511 -5.354 9.353 1.00 0.00 C ATOM 0 H THR A 52 3.485 -5.213 6.668 1.00 0.00 H new ATOM 0 HA THR A 52 1.983 -5.492 8.894 1.00 0.00 H new ATOM 0 HB THR A 52 3.494 -3.517 9.814 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.064 -2.845 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.463 -5.017 9.763 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.973 -5.926 10.108 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.694 -5.984 8.482 1.00 0.00 H new ATOM 907 N PRO A 53 0.567 -3.598 9.621 1.00 0.00 N ATOM 908 CA PRO A 53 -0.472 -2.584 9.923 1.00 0.00 C ATOM 909 C PRO A 53 -0.028 -1.173 9.541 1.00 0.00 C ATOM 910 O PRO A 53 -0.355 -0.681 8.480 1.00 0.00 O ATOM 911 CB PRO A 53 -0.715 -2.681 11.432 1.00 0.00 C ATOM 912 CG PRO A 53 0.051 -3.914 11.945 1.00 0.00 C ATOM 913 CD PRO A 53 0.867 -4.474 10.774 1.00 0.00 C ATOM 0 HA PRO A 53 -1.376 -2.776 9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.369 -1.778 11.935 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.780 -2.776 11.644 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.706 -3.641 12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.642 -4.666 12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.933 -4.469 11.002 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.591 -5.507 10.563 1.00 0.00 H new ATOM 921 N THR A 54 0.688 -0.504 10.399 1.00 0.00 N ATOM 922 CA THR A 54 1.113 0.876 10.076 1.00 0.00 C ATOM 923 C THR A 54 1.527 0.955 8.605 1.00 0.00 C ATOM 924 O THR A 54 1.007 1.754 7.854 1.00 0.00 O ATOM 925 CB THR A 54 2.274 1.266 10.984 1.00 0.00 C ATOM 926 OG1 THR A 54 1.831 1.273 12.333 1.00 0.00 O ATOM 927 CG2 THR A 54 2.763 2.657 10.601 1.00 0.00 C ATOM 0 H THR A 54 0.994 -0.855 11.306 1.00 0.00 H new ATOM 0 HA THR A 54 0.288 1.569 10.239 1.00 0.00 H new ATOM 0 HB THR A 54 3.088 0.550 10.872 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.575 1.522 12.920 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.593 2.941 11.247 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.096 2.653 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.950 3.374 10.718 1.00 0.00 H new ATOM 935 N GLN A 55 2.444 0.129 8.178 1.00 0.00 N ATOM 936 CA GLN A 55 2.860 0.174 6.748 1.00 0.00 C ATOM 937 C GLN A 55 1.607 0.236 5.873 1.00 0.00 C ATOM 938 O GLN A 55 1.601 0.841 4.820 1.00 0.00 O ATOM 939 CB GLN A 55 3.666 -1.081 6.402 1.00 0.00 C ATOM 940 CG GLN A 55 4.481 -0.827 5.133 1.00 0.00 C ATOM 941 CD GLN A 55 5.503 0.280 5.399 1.00 0.00 C ATOM 942 OE1 GLN A 55 6.007 0.407 6.497 1.00 0.00 O ATOM 943 NE2 GLN A 55 5.832 1.094 4.433 1.00 0.00 N ATOM 0 H GLN A 55 2.919 -0.568 8.752 1.00 0.00 H new ATOM 0 HA GLN A 55 3.481 1.053 6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.329 -1.340 7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.996 -1.928 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.990 -1.741 4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.821 -0.539 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.409 0.988 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.512 1.836 4.600 1.00 0.00 H new ATOM 952 N VAL A 56 0.544 -0.379 6.311 1.00 0.00 N ATOM 953 CA VAL A 56 -0.719 -0.355 5.522 1.00 0.00 C ATOM 954 C VAL A 56 -1.366 1.020 5.662 1.00 0.00 C ATOM 955 O VAL A 56 -1.737 1.647 4.693 1.00 0.00 O ATOM 956 CB VAL A 56 -1.679 -1.417 6.071 1.00 0.00 C ATOM 957 CG1 VAL A 56 -2.812 -1.650 5.080 1.00 0.00 C ATOM 958 CG2 VAL A 56 -0.927 -2.729 6.288 1.00 0.00 C ATOM 0 H VAL A 56 0.496 -0.900 7.187 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.503 -0.561 4.474 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.089 -1.068 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.491 -2.405 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.356 -0.719 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.400 -1.993 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.613 -3.481 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.513 -3.072 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.118 -2.571 7.001 1.00 0.00 H new ATOM 968 N LYS A 57 -1.504 1.483 6.868 1.00 0.00 N ATOM 969 CA LYS A 57 -2.131 2.809 7.101 1.00 0.00 C ATOM 970 C LYS A 57 -1.326 3.904 6.402 1.00 0.00 C ATOM 971 O LYS A 57 -1.877 4.822 5.829 1.00 0.00 O ATOM 972 CB LYS A 57 -2.148 3.065 8.599 1.00 0.00 C ATOM 973 CG LYS A 57 -3.147 4.168 8.938 1.00 0.00 C ATOM 974 CD LYS A 57 -3.472 4.102 10.433 1.00 0.00 C ATOM 975 CE LYS A 57 -2.208 3.730 11.216 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.437 3.964 12.670 1.00 0.00 N ATOM 0 H LYS A 57 -1.206 0.994 7.712 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.144 2.818 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.414 2.150 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.152 3.351 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.731 5.143 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.056 4.047 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.855 5.063 10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.254 3.365 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.953 2.685 11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.364 4.326 10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.579 3.712 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.660 4.967 12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.231 3.377 12.995 1.00 0.00 H new ATOM 990 N ILE A 58 -0.025 3.823 6.453 1.00 0.00 N ATOM 991 CA ILE A 58 0.806 4.872 5.800 1.00 0.00 C ATOM 992 C ILE A 58 0.574 4.845 4.285 1.00 0.00 C ATOM 993 O ILE A 58 0.488 5.875 3.647 1.00 0.00 O ATOM 994 CB ILE A 58 2.286 4.623 6.098 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.505 4.495 7.614 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.114 5.795 5.565 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.524 5.396 8.374 1.00 0.00 C ATOM 0 H ILE A 58 0.496 3.079 6.917 1.00 0.00 H new ATOM 0 HA ILE A 58 0.521 5.849 6.192 1.00 0.00 H new ATOM 0 HB ILE A 58 2.597 3.698 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.369 3.458 7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.530 4.770 7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.169 5.621 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.969 5.883 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.794 6.717 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.692 5.294 9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.680 6.434 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.502 5.102 8.137 1.00 0.00 H new ATOM 1009 N TRP A 59 0.464 3.679 3.701 1.00 0.00 N ATOM 1010 CA TRP A 59 0.232 3.613 2.229 1.00 0.00 C ATOM 1011 C TRP A 59 -1.031 4.404 1.889 1.00 0.00 C ATOM 1012 O TRP A 59 -1.018 5.281 1.049 1.00 0.00 O ATOM 1013 CB TRP A 59 0.053 2.155 1.795 1.00 0.00 C ATOM 1014 CG TRP A 59 -0.273 2.104 0.333 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.638 2.014 -0.664 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.581 2.133 -0.311 1.00 0.00 C ATOM 1017 NE1 TRP A 59 -0.028 1.989 -1.877 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.398 2.058 -1.711 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.894 2.216 0.180 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.481 2.066 -2.594 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -3.987 2.224 -0.702 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -3.782 2.149 -2.086 1.00 0.00 C ATOM 0 H TRP A 59 0.524 2.778 4.176 1.00 0.00 H new ATOM 0 HA TRP A 59 1.089 4.037 1.706 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.964 1.591 1.995 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.745 1.688 2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.709 1.969 -0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.436 1.927 -2.783 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.065 2.274 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.315 2.009 -3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.992 2.288 -0.311 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.626 2.155 -2.759 1.00 0.00 H new ATOM 1033 N PHE A 60 -2.122 4.103 2.538 1.00 0.00 N ATOM 1034 CA PHE A 60 -3.386 4.843 2.253 1.00 0.00 C ATOM 1035 C PHE A 60 -3.075 6.330 2.063 1.00 0.00 C ATOM 1036 O PHE A 60 -3.489 6.944 1.099 1.00 0.00 O ATOM 1037 CB PHE A 60 -4.357 4.673 3.423 1.00 0.00 C ATOM 1038 CG PHE A 60 -5.134 3.392 3.248 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.461 2.167 3.246 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -6.523 3.429 3.082 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.174 0.976 3.077 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -7.238 2.237 2.914 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.563 1.010 2.912 1.00 0.00 C ATOM 0 H PHE A 60 -2.194 3.378 3.252 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.840 4.445 1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.809 4.653 4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.039 5.522 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.389 2.140 3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.043 4.376 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.653 0.030 3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.310 2.264 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.114 0.090 2.783 1.00 0.00 H new ATOM 1053 N GLN A 61 -2.350 6.913 2.978 1.00 0.00 N ATOM 1054 CA GLN A 61 -2.012 8.359 2.857 1.00 0.00 C ATOM 1055 C GLN A 61 -1.583 8.672 1.422 1.00 0.00 C ATOM 1056 O GLN A 61 -2.176 9.493 0.750 1.00 0.00 O ATOM 1057 CB GLN A 61 -0.866 8.692 3.813 1.00 0.00 C ATOM 1058 CG GLN A 61 -0.955 10.159 4.235 1.00 0.00 C ATOM 1059 CD GLN A 61 0.347 10.570 4.925 1.00 0.00 C ATOM 1060 OE1 GLN A 61 1.287 9.801 4.981 1.00 0.00 O ATOM 1061 NE2 GLN A 61 0.443 11.757 5.458 1.00 0.00 N ATOM 0 H GLN A 61 -1.976 6.449 3.806 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.888 8.957 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.913 8.048 4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.091 8.501 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.132 10.789 3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.798 10.304 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.345 12.402 5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.307 12.040 5.922 1.00 0.00 H new ATOM 1070 N ASN A 62 -0.550 8.030 0.950 1.00 0.00 N ATOM 1071 CA ASN A 62 -0.076 8.295 -0.438 1.00 0.00 C ATOM 1072 C ASN A 62 -1.269 8.352 -1.395 1.00 0.00 C ATOM 1073 O ASN A 62 -1.318 9.176 -2.284 1.00 0.00 O ATOM 1074 CB ASN A 62 0.874 7.178 -0.874 1.00 0.00 C ATOM 1075 CG ASN A 62 1.861 7.722 -1.909 1.00 0.00 C ATOM 1076 OD1 ASN A 62 2.918 7.158 -2.114 1.00 0.00 O ATOM 1077 ND2 ASN A 62 1.560 8.804 -2.575 1.00 0.00 N ATOM 0 H ASN A 62 -0.013 7.333 1.466 1.00 0.00 H new ATOM 0 HA ASN A 62 0.447 9.251 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.414 6.788 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.307 6.349 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.212 9.175 -3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.673 9.278 -2.404 1.00 0.00 H new ATOM 1084 N HIS A 63 -2.228 7.482 -1.226 1.00 0.00 N ATOM 1085 CA HIS A 63 -3.409 7.490 -2.138 1.00 0.00 C ATOM 1086 C HIS A 63 -4.451 8.493 -1.632 1.00 0.00 C ATOM 1087 O HIS A 63 -5.037 9.230 -2.400 1.00 0.00 O ATOM 1088 CB HIS A 63 -4.033 6.092 -2.180 1.00 0.00 C ATOM 1089 CG HIS A 63 -3.634 5.401 -3.456 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -2.374 5.549 -4.015 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -4.319 4.556 -4.293 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -2.340 4.808 -5.138 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -3.499 4.182 -5.355 1.00 0.00 N ATOM 0 H HIS A 63 -2.245 6.768 -0.498 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.085 7.778 -3.138 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.703 5.509 -1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.119 6.165 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.339 4.231 -4.150 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.479 4.729 -5.785 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.734 3.563 -6.131 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.690 8.521 -0.349 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.697 9.473 0.204 1.00 0.00 C ATOM 1103 C ARG A 64 -5.685 10.769 -0.609 1.00 0.00 C ATOM 1104 O ARG A 64 -6.719 11.296 -0.968 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.355 9.782 1.663 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.250 10.915 2.173 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.716 10.489 2.086 1.00 0.00 C ATOM 1108 NE ARG A 64 -8.494 11.186 3.149 1.00 0.00 N ATOM 1109 CZ ARG A 64 -9.798 11.219 3.091 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -10.422 10.656 2.092 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -10.476 11.818 4.030 1.00 0.00 N ATOM 0 H ARG A 64 -4.232 7.926 0.341 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.688 9.023 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.494 8.891 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.306 10.067 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.992 11.160 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.087 11.816 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.120 10.733 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.801 9.409 2.206 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.007 11.638 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.891 10.190 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.441 10.682 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.988 12.260 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.495 11.844 3.986 1.00 0.00 H new ATOM 1125 N TYR A 65 -4.524 11.293 -0.889 1.00 0.00 N ATOM 1126 CA TYR A 65 -4.438 12.564 -1.668 1.00 0.00 C ATOM 1127 C TYR A 65 -4.814 12.333 -3.140 1.00 0.00 C ATOM 1128 O TYR A 65 -5.555 13.101 -3.720 1.00 0.00 O ATOM 1129 CB TYR A 65 -3.011 13.108 -1.588 1.00 0.00 C ATOM 1130 CG TYR A 65 -3.050 14.600 -1.363 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -3.303 15.109 -0.084 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -2.836 15.475 -2.435 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -3.338 16.494 0.124 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -2.871 16.859 -2.228 1.00 0.00 C ATOM 1135 CZ TYR A 65 -3.124 17.369 -0.948 1.00 0.00 C ATOM 1136 OH TYR A 65 -3.159 18.733 -0.743 1.00 0.00 O ATOM 0 H TYR A 65 -3.627 10.895 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.139 13.282 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.471 12.622 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.473 12.883 -2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.471 14.434 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.644 15.082 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.530 16.887 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.703 17.533 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.990 19.196 -1.590 1.00 0.00 H new ATOM 1146 N LYS A 66 -4.300 11.303 -3.763 1.00 0.00 N ATOM 1147 CA LYS A 66 -4.638 11.068 -5.197 1.00 0.00 C ATOM 1148 C LYS A 66 -6.018 10.421 -5.313 1.00 0.00 C ATOM 1149 O LYS A 66 -6.813 10.797 -6.150 1.00 0.00 O ATOM 1150 CB LYS A 66 -3.587 10.158 -5.834 1.00 0.00 C ATOM 1151 CG LYS A 66 -2.282 10.255 -5.044 1.00 0.00 C ATOM 1152 CD LYS A 66 -1.157 9.572 -5.824 1.00 0.00 C ATOM 1153 CE LYS A 66 -1.435 8.070 -5.916 1.00 0.00 C ATOM 1154 NZ LYS A 66 -1.888 7.733 -7.295 1.00 0.00 N ATOM 0 H LYS A 66 -3.667 10.621 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.650 12.025 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.942 9.127 -5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.419 10.449 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.031 11.300 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.400 9.783 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.082 10.000 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.201 9.746 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.535 7.507 -5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.198 7.785 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.405 6.831 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.514 8.485 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.062 7.648 -7.921 1.00 0.00 H new ATOM 1168 N THR A 67 -6.323 9.457 -4.484 1.00 0.00 N ATOM 1169 CA THR A 67 -7.665 8.821 -4.572 1.00 0.00 C ATOM 1170 C THR A 67 -8.693 9.926 -4.808 1.00 0.00 C ATOM 1171 O THR A 67 -9.798 9.688 -5.254 1.00 0.00 O ATOM 1172 CB THR A 67 -7.982 8.093 -3.262 1.00 0.00 C ATOM 1173 OG1 THR A 67 -7.352 8.769 -2.182 1.00 0.00 O ATOM 1174 CG2 THR A 67 -7.467 6.655 -3.337 1.00 0.00 C ATOM 0 H THR A 67 -5.708 9.088 -3.759 1.00 0.00 H new ATOM 0 HA THR A 67 -7.689 8.097 -5.386 1.00 0.00 H new ATOM 0 HB THR A 67 -9.060 8.081 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.527 9.193 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.693 6.138 -2.404 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.952 6.138 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.389 6.663 -3.495 1.00 0.00 H new ATOM 1182 N LYS A 68 -8.313 11.141 -4.522 1.00 0.00 N ATOM 1183 CA LYS A 68 -9.230 12.291 -4.731 1.00 0.00 C ATOM 1184 C LYS A 68 -9.076 12.784 -6.168 1.00 0.00 C ATOM 1185 O LYS A 68 -10.006 12.763 -6.949 1.00 0.00 O ATOM 1186 CB LYS A 68 -8.859 13.420 -3.763 1.00 0.00 C ATOM 1187 CG LYS A 68 -8.188 12.825 -2.529 1.00 0.00 C ATOM 1188 CD LYS A 68 -7.706 13.951 -1.610 1.00 0.00 C ATOM 1189 CE LYS A 68 -8.875 14.880 -1.282 1.00 0.00 C ATOM 1190 NZ LYS A 68 -8.595 15.602 -0.007 1.00 0.00 N ATOM 0 H LYS A 68 -7.396 11.386 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.260 11.985 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.188 14.127 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.752 13.975 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.889 12.183 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.346 12.200 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.292 13.533 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.907 14.512 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.024 15.594 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.796 14.305 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.390 16.234 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.474 14.913 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.725 16.163 -0.110 1.00 0.00 H new ATOM 1204 N ARG A 69 -7.898 13.219 -6.520 1.00 0.00 N ATOM 1205 CA ARG A 69 -7.662 13.705 -7.906 1.00 0.00 C ATOM 1206 C ARG A 69 -8.066 12.609 -8.890 1.00 0.00 C ATOM 1207 O ARG A 69 -8.478 12.876 -10.002 1.00 0.00 O ATOM 1208 CB ARG A 69 -6.177 14.032 -8.079 1.00 0.00 C ATOM 1209 CG ARG A 69 -5.392 12.740 -8.322 1.00 0.00 C ATOM 1210 CD ARG A 69 -5.364 12.430 -9.818 1.00 0.00 C ATOM 1211 NE ARG A 69 -4.027 12.781 -10.375 1.00 0.00 N ATOM 1212 CZ ARG A 69 -3.666 12.324 -11.543 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -4.473 11.551 -12.219 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -2.499 12.638 -12.034 1.00 0.00 N ATOM 0 H ARG A 69 -7.086 13.258 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.253 14.602 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.040 14.716 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.799 14.537 -7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.375 12.844 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.852 11.915 -7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.573 11.373 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.143 12.994 -10.331 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.394 13.378 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.385 11.305 -11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.191 11.194 -13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.869 13.241 -11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.217 12.281 -12.947 1.00 0.00 H new ATOM 1228 N ALA A 70 -7.952 11.374 -8.485 1.00 0.00 N ATOM 1229 CA ALA A 70 -8.330 10.253 -9.389 1.00 0.00 C ATOM 1230 C ALA A 70 -9.789 10.417 -9.820 1.00 0.00 C ATOM 1231 O ALA A 70 -10.076 10.771 -10.945 1.00 0.00 O ATOM 1232 CB ALA A 70 -8.160 8.923 -8.649 1.00 0.00 C ATOM 0 H ALA A 70 -7.613 11.093 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.689 10.262 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.436 8.101 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.121 8.808 -8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.802 8.912 -7.768 1.00 0.00 H new ATOM 1238 N GLN A 71 -10.711 10.162 -8.932 1.00 0.00 N ATOM 1239 CA GLN A 71 -12.152 10.301 -9.291 1.00 0.00 C ATOM 1240 C GLN A 71 -12.340 11.510 -10.209 1.00 0.00 C ATOM 1241 O GLN A 71 -12.889 11.403 -11.288 1.00 0.00 O ATOM 1242 CB GLN A 71 -12.980 10.497 -8.017 1.00 0.00 C ATOM 1243 CG GLN A 71 -13.140 9.159 -7.291 1.00 0.00 C ATOM 1244 CD GLN A 71 -14.449 9.164 -6.498 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -15.454 9.659 -6.967 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -14.479 8.632 -5.308 1.00 0.00 N ATOM 0 H GLN A 71 -10.529 9.864 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.483 9.400 -9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.492 11.220 -7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.959 10.904 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.141 8.340 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.297 8.993 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.635 8.216 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.346 8.632 -4.771 1.00 0.00 H new ATOM 1255 N ASN A 72 -11.895 12.661 -9.788 1.00 0.00 N ATOM 1256 CA ASN A 72 -12.052 13.877 -10.634 1.00 0.00 C ATOM 1257 C ASN A 72 -11.599 13.573 -12.064 1.00 0.00 C ATOM 1258 O ASN A 72 -12.256 13.932 -13.021 1.00 0.00 O ATOM 1259 CB ASN A 72 -11.200 15.010 -10.058 1.00 0.00 C ATOM 1260 CG ASN A 72 -11.610 16.335 -10.703 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -11.083 16.713 -11.731 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -12.533 17.063 -10.138 1.00 0.00 N ATOM 0 H ASN A 72 -11.429 12.812 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.100 14.177 -10.645 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.330 15.064 -8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.144 14.815 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.812 17.949 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.976 16.746 -9.275 1.00 0.00 H new ATOM 1269 N GLU A 73 -10.495 12.895 -12.218 1.00 0.00 N ATOM 1270 CA GLU A 73 -10.023 12.545 -13.584 1.00 0.00 C ATOM 1271 C GLU A 73 -10.690 11.237 -13.958 1.00 0.00 C ATOM 1272 O GLU A 73 -10.170 10.443 -14.715 1.00 0.00 O ATOM 1273 CB GLU A 73 -8.502 12.378 -13.586 1.00 0.00 C ATOM 1274 CG GLU A 73 -7.847 13.651 -14.129 1.00 0.00 C ATOM 1275 CD GLU A 73 -7.937 13.659 -15.657 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -9.004 13.363 -16.170 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -6.937 13.961 -16.288 1.00 0.00 O ATOM 0 H GLU A 73 -9.901 12.569 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.275 13.330 -14.298 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.147 12.177 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.221 11.522 -14.199 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.343 14.531 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.804 13.699 -13.815 1.00 0.00 H new ATOM 1284 N LYS A 74 -11.821 10.993 -13.373 1.00 0.00 N ATOM 1285 CA LYS A 74 -12.526 9.718 -13.614 1.00 0.00 C ATOM 1286 C LYS A 74 -14.034 9.962 -13.689 1.00 0.00 C ATOM 1287 O LYS A 74 -14.491 11.089 -13.700 1.00 0.00 O ATOM 1288 CB LYS A 74 -12.198 8.808 -12.437 1.00 0.00 C ATOM 1289 CG LYS A 74 -11.643 7.476 -12.949 1.00 0.00 C ATOM 1290 CD LYS A 74 -10.221 7.680 -13.477 1.00 0.00 C ATOM 1291 CE LYS A 74 -9.542 6.320 -13.656 1.00 0.00 C ATOM 1292 NZ LYS A 74 -8.947 6.236 -15.019 1.00 0.00 N ATOM 0 H LYS A 74 -12.291 11.631 -12.731 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.215 9.266 -14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.469 9.290 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.093 8.634 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.641 6.739 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.283 7.084 -13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.248 8.213 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.649 8.295 -12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.767 6.186 -12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.267 5.518 -13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.486 5.312 -15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.696 6.345 -15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.243 6.992 -15.138 1.00 0.00 H new ATOM 1306 N GLY A 75 -14.813 8.917 -13.741 1.00 0.00 N ATOM 1307 CA GLY A 75 -16.291 9.093 -13.816 1.00 0.00 C ATOM 1308 C GLY A 75 -16.644 9.902 -15.065 1.00 0.00 C ATOM 1309 O GLY A 75 -15.819 10.605 -15.613 1.00 0.00 O ATOM 0 H GLY A 75 -14.490 7.949 -13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.783 8.121 -13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.653 9.604 -12.924 1.00 0.00 H new ATOM 1313 N TYR A 76 -17.862 9.810 -15.519 1.00 0.00 N ATOM 1314 CA TYR A 76 -18.263 10.574 -16.732 1.00 0.00 C ATOM 1315 C TYR A 76 -19.103 11.783 -16.320 1.00 0.00 C ATOM 1316 O TYR A 76 -20.067 12.132 -16.969 1.00 0.00 O ATOM 1317 CB TYR A 76 -19.081 9.672 -17.657 1.00 0.00 C ATOM 1318 CG TYR A 76 -18.146 8.882 -18.541 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -17.120 8.120 -17.968 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -18.302 8.913 -19.931 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -16.252 7.389 -18.787 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -17.434 8.181 -20.750 1.00 0.00 C ATOM 1323 CZ TYR A 76 -16.409 7.419 -20.178 1.00 0.00 C ATOM 1324 OH TYR A 76 -15.552 6.699 -20.985 1.00 0.00 O ATOM 0 H TYR A 76 -18.597 9.239 -15.102 1.00 0.00 H new ATOM 0 HA TYR A 76 -17.371 10.916 -17.257 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -19.701 8.996 -17.069 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -19.755 10.273 -18.267 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -16.999 8.097 -16.895 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.092 9.502 -20.372 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -15.461 6.801 -18.346 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -17.555 8.204 -21.823 1.00 0.00 H new ATOM 0 HH TYR A 76 -15.801 6.829 -21.924 1.00 0.00 H new ATOM 1334 N GLU A 77 -18.743 12.428 -15.244 1.00 0.00 N ATOM 1335 CA GLU A 77 -19.519 13.616 -14.794 1.00 0.00 C ATOM 1336 C GLU A 77 -21.014 13.342 -14.964 1.00 0.00 C ATOM 1337 O GLU A 77 -21.442 12.209 -15.058 1.00 0.00 O ATOM 1338 CB GLU A 77 -19.125 14.829 -15.638 1.00 0.00 C ATOM 1339 CG GLU A 77 -17.636 15.122 -15.444 1.00 0.00 C ATOM 1340 CD GLU A 77 -17.441 15.951 -14.174 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -18.410 16.134 -13.455 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -16.327 16.389 -13.940 1.00 0.00 O ATOM 0 H GLU A 77 -17.945 12.183 -14.658 1.00 0.00 H new ATOM 0 HA GLU A 77 -19.303 13.816 -13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -19.335 14.637 -16.690 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.718 15.696 -15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.077 14.189 -15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.245 15.661 -16.307 1.00 0.00 H new ATOM 1349 N GLY A 78 -21.813 14.373 -15.002 1.00 0.00 N ATOM 1350 CA GLY A 78 -23.280 14.175 -15.166 1.00 0.00 C ATOM 1351 C GLY A 78 -23.893 15.416 -15.816 1.00 0.00 C ATOM 1352 O GLY A 78 -23.380 15.939 -16.786 1.00 0.00 O ATOM 0 H GLY A 78 -21.512 15.345 -14.926 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -23.472 13.296 -15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -23.744 13.993 -14.197 1.00 0.00 H new ATOM 1356 N HIS A 79 -24.987 15.896 -15.290 1.00 0.00 N ATOM 1357 CA HIS A 79 -25.629 17.103 -15.881 1.00 0.00 C ATOM 1358 C HIS A 79 -24.706 18.311 -15.696 1.00 0.00 C ATOM 1359 O HIS A 79 -24.078 18.457 -14.666 1.00 0.00 O ATOM 1360 CB HIS A 79 -26.962 17.370 -15.178 1.00 0.00 C ATOM 1361 CG HIS A 79 -26.939 16.750 -13.808 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -26.223 17.302 -12.759 1.00 0.00 N ATOM 1363 CD2 HIS A 79 -27.539 15.624 -13.301 1.00 0.00 C ATOM 1364 CE1 HIS A 79 -26.407 16.516 -11.683 1.00 0.00 C ATOM 1365 NE2 HIS A 79 -27.201 15.478 -11.959 1.00 0.00 N ATOM 0 H HIS A 79 -25.463 15.504 -14.477 1.00 0.00 H new ATOM 0 HA HIS A 79 -25.806 16.937 -16.944 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -27.136 18.443 -15.100 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -27.783 16.956 -15.763 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -28.176 14.954 -13.859 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -25.967 16.702 -10.714 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -27.496 14.737 -11.323 1.00 0.00 H new ATOM 1373 N PRO A 80 -24.654 19.142 -16.704 1.00 0.00 N ATOM 1374 CA PRO A 80 -23.782 20.333 -16.595 1.00 0.00 C ATOM 1375 C PRO A 80 -24.108 21.108 -15.315 1.00 0.00 C ATOM 1376 O PRO A 80 -24.785 20.551 -14.466 1.00 0.00 O ATOM 1377 CB PRO A 80 -24.090 21.189 -17.830 1.00 0.00 C ATOM 1378 CG PRO A 80 -25.163 20.450 -18.655 1.00 0.00 C ATOM 1379 CD PRO A 80 -25.488 19.139 -17.925 1.00 0.00 C ATOM 1380 OXT PRO A 80 -23.676 22.243 -15.206 1.00 0.00 O ATOM 0 HA PRO A 80 -22.728 20.060 -16.550 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -24.447 22.175 -17.533 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -23.189 21.342 -18.424 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -26.058 21.064 -18.757 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -24.799 20.247 -19.662 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -26.547 19.083 -17.675 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -25.262 18.276 -18.551 1.00 0.00 H new TER 1388 PRO A 80