USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 983 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 122 SER OG : rot 88:sc= 0.427 USER MOD Set 1.2: A 125 SER OG : rot 180:sc= 0.356 USER MOD Set 2.1: A 30 SER OG : rot 56:sc= 1.29 USER MOD Set 2.2: A 72 SER OG : rot -65:sc= 1.23 USER MOD Set 3.1: A 56 ASN : amide:sc= 0.368 K(o=1.2,f=-5.2!) USER MOD Set 3.2: A 59 HIS : no HE2:sc= 0.86 K(o=1.2,f=-5.4!) USER MOD Set 4.1: A 13 THR OG1 : rot 110:sc= 0.915 USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0.865 USER MOD Set 4.3: A 16 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 1.09 (180deg=-0.668) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.107 USER MOD Single : A 5 SER OG : rot -2:sc= 1.18 USER MOD Single : A 6 SER OG : rot 25:sc= 0.962 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.316 K(o=-0.32,f=-4.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.31 K(o=-0.31,f=-0.82) USER MOD Single : A 22 ASN : amide:sc= 0.727 K(o=0.73,f=-5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 1.29 (180deg=1.15) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.965) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 1.06 (180deg=0.929) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -153:sc= 0.245 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 69 THR OG1 : rot -73:sc= 1.27 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 68:sc= 1.12 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.285 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 86 CYS SG : rot 153:sc= -0.441 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.36) USER MOD Single : A 105 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= -0.101 (180deg=-0.199) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.332 20.757 -17.298 1.00 0.00 N ATOM 2 CA GLY A 1 33.117 20.023 -16.940 1.00 0.00 C ATOM 3 C GLY A 1 33.477 18.773 -16.177 1.00 0.00 C ATOM 4 O GLY A 1 34.430 18.093 -16.550 1.00 0.00 O ATOM 0 H1 GLY A 1 34.310 21.700 -16.860 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.165 20.236 -16.957 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.385 20.857 -18.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.466 20.654 -16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.561 19.762 -17.840 1.00 0.00 H new ATOM 8 N SER A 2 32.722 18.472 -15.123 1.00 0.00 N ATOM 9 CA SER A 2 32.855 17.270 -14.315 1.00 0.00 C ATOM 10 C SER A 2 31.435 16.849 -13.941 1.00 0.00 C ATOM 11 O SER A 2 30.570 17.719 -13.807 1.00 0.00 O ATOM 12 CB SER A 2 33.681 17.580 -13.057 1.00 0.00 C ATOM 13 OG SER A 2 34.906 18.219 -13.375 1.00 0.00 O ATOM 0 H SER A 2 31.973 19.084 -14.799 1.00 0.00 H new ATOM 0 HA SER A 2 33.367 16.473 -14.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.101 18.218 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.883 16.654 -12.518 1.00 0.00 H new ATOM 0 HG SER A 2 35.403 18.402 -12.551 1.00 0.00 H new ATOM 19 N SER A 3 31.175 15.548 -13.777 1.00 0.00 N ATOM 20 CA SER A 3 29.829 15.071 -13.463 1.00 0.00 C ATOM 21 C SER A 3 29.876 13.807 -12.603 1.00 0.00 C ATOM 22 O SER A 3 29.541 13.850 -11.419 1.00 0.00 O ATOM 23 CB SER A 3 29.006 14.865 -14.753 1.00 0.00 C ATOM 24 OG SER A 3 29.143 15.959 -15.641 1.00 0.00 O ATOM 0 H SER A 3 31.876 14.812 -13.856 1.00 0.00 H new ATOM 0 HA SER A 3 29.324 15.836 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.330 13.950 -15.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.955 14.733 -14.497 1.00 0.00 H new ATOM 0 HG SER A 3 28.610 15.795 -16.447 1.00 0.00 H new ATOM 30 N GLY A 4 30.269 12.670 -13.189 1.00 0.00 N ATOM 31 CA GLY A 4 29.854 11.372 -12.663 1.00 0.00 C ATOM 32 C GLY A 4 28.333 11.227 -12.796 1.00 0.00 C ATOM 33 O GLY A 4 27.660 12.124 -13.308 1.00 0.00 O ATOM 0 H GLY A 4 30.865 12.625 -14.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.355 10.571 -13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.148 11.281 -11.617 1.00 0.00 H new ATOM 37 N SER A 5 27.770 10.094 -12.385 1.00 0.00 N ATOM 38 CA SER A 5 26.329 9.891 -12.256 1.00 0.00 C ATOM 39 C SER A 5 26.126 8.724 -11.289 1.00 0.00 C ATOM 40 O SER A 5 26.573 7.601 -11.548 1.00 0.00 O ATOM 41 CB SER A 5 25.679 9.628 -13.626 1.00 0.00 C ATOM 42 OG SER A 5 25.702 10.803 -14.427 1.00 0.00 O ATOM 0 H SER A 5 28.316 9.272 -12.126 1.00 0.00 H new ATOM 0 HA SER A 5 25.844 10.786 -11.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.208 8.823 -14.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.650 9.296 -13.488 1.00 0.00 H new ATOM 0 HG SER A 5 26.103 11.538 -13.918 1.00 0.00 H new ATOM 48 N SER A 6 25.556 9.009 -10.125 1.00 0.00 N ATOM 49 CA SER A 6 25.112 8.081 -9.097 1.00 0.00 C ATOM 50 C SER A 6 24.025 8.810 -8.292 1.00 0.00 C ATOM 51 O SER A 6 23.525 9.859 -8.716 1.00 0.00 O ATOM 52 CB SER A 6 26.314 7.658 -8.239 1.00 0.00 C ATOM 53 OG SER A 6 27.120 6.738 -8.957 1.00 0.00 O ATOM 0 H SER A 6 25.378 9.976 -9.855 1.00 0.00 H new ATOM 0 HA SER A 6 24.695 7.162 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.902 8.534 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.967 7.204 -7.311 1.00 0.00 H new ATOM 0 HG SER A 6 26.988 6.869 -9.919 1.00 0.00 H new ATOM 59 N GLY A 7 23.597 8.254 -7.160 1.00 0.00 N ATOM 60 CA GLY A 7 22.714 8.912 -6.208 1.00 0.00 C ATOM 61 C GLY A 7 23.292 8.779 -4.808 1.00 0.00 C ATOM 62 O GLY A 7 24.294 8.086 -4.608 1.00 0.00 O ATOM 0 H GLY A 7 23.863 7.311 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.600 9.964 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.721 8.465 -6.247 1.00 0.00 H new ATOM 66 N MET A 8 22.673 9.450 -3.839 1.00 0.00 N ATOM 67 CA MET A 8 23.181 9.541 -2.471 1.00 0.00 C ATOM 68 C MET A 8 22.069 9.867 -1.464 1.00 0.00 C ATOM 69 O MET A 8 22.161 9.481 -0.301 1.00 0.00 O ATOM 70 CB MET A 8 24.270 10.627 -2.465 1.00 0.00 C ATOM 71 CG MET A 8 25.201 10.585 -1.255 1.00 0.00 C ATOM 72 SD MET A 8 26.527 11.806 -1.446 1.00 0.00 S ATOM 73 CE MET A 8 27.507 11.518 0.042 1.00 0.00 C ATOM 0 H MET A 8 21.796 9.951 -3.982 1.00 0.00 H new ATOM 0 HA MET A 8 23.590 8.579 -2.161 1.00 0.00 H new ATOM 0 HB2 MET A 8 24.868 10.529 -3.371 1.00 0.00 H new ATOM 0 HB3 MET A 8 23.790 11.605 -2.504 1.00 0.00 H new ATOM 0 HG2 MET A 8 24.637 10.789 -0.345 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.627 9.587 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 8 28.357 12.201 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 8 26.889 11.690 0.923 1.00 0.00 H new ATOM 0 HE3 MET A 8 27.868 10.490 0.047 1.00 0.00 H new ATOM 83 N ASN A 9 21.012 10.564 -1.898 1.00 0.00 N ATOM 84 CA ASN A 9 19.803 10.821 -1.113 1.00 0.00 C ATOM 85 C ASN A 9 19.016 9.512 -0.987 1.00 0.00 C ATOM 86 O ASN A 9 18.900 8.795 -1.982 1.00 0.00 O ATOM 87 CB ASN A 9 18.989 11.890 -1.867 1.00 0.00 C ATOM 88 CG ASN A 9 17.685 12.324 -1.209 1.00 0.00 C ATOM 89 OD1 ASN A 9 16.958 11.552 -0.599 1.00 0.00 O ATOM 90 ND2 ASN A 9 17.311 13.582 -1.377 1.00 0.00 N ATOM 0 H ASN A 9 20.975 10.975 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 9 20.033 11.178 -0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.617 12.771 -1.998 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.761 11.509 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.420 13.904 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.914 14.230 -1.885 1.00 0.00 H new ATOM 97 N LYS A 10 18.452 9.208 0.188 1.00 0.00 N ATOM 98 CA LYS A 10 17.496 8.115 0.373 1.00 0.00 C ATOM 99 C LYS A 10 16.229 8.638 1.060 1.00 0.00 C ATOM 100 O LYS A 10 16.331 9.225 2.141 1.00 0.00 O ATOM 101 CB LYS A 10 18.108 6.964 1.187 1.00 0.00 C ATOM 102 CG LYS A 10 18.842 5.937 0.301 1.00 0.00 C ATOM 103 CD LYS A 10 20.241 5.627 0.833 1.00 0.00 C ATOM 104 CE LYS A 10 21.183 6.793 0.522 1.00 0.00 C ATOM 105 NZ LYS A 10 22.374 6.798 1.388 1.00 0.00 N ATOM 0 H LYS A 10 18.651 9.722 1.046 1.00 0.00 H new ATOM 0 HA LYS A 10 17.236 7.724 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.806 7.372 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.320 6.459 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.260 5.017 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.917 6.322 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 10 20.202 5.456 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 10 20.618 4.711 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 10 21.495 6.736 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.645 7.733 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.981 7.605 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 22.080 6.879 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 22.904 5.913 1.255 1.00 0.00 H new ATOM 119 N PRO A 11 15.035 8.411 0.485 1.00 0.00 N ATOM 120 CA PRO A 11 13.758 8.611 1.169 1.00 0.00 C ATOM 121 C PRO A 11 13.559 7.576 2.294 1.00 0.00 C ATOM 122 O PRO A 11 14.497 6.868 2.679 1.00 0.00 O ATOM 123 CB PRO A 11 12.702 8.529 0.060 1.00 0.00 C ATOM 124 CG PRO A 11 13.338 7.590 -0.958 1.00 0.00 C ATOM 125 CD PRO A 11 14.824 7.880 -0.854 1.00 0.00 C ATOM 0 HA PRO A 11 13.696 9.570 1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.756 8.137 0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.494 9.508 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.119 6.547 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.964 7.781 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.410 6.975 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.136 8.598 -1.612 1.00 0.00 H new ATOM 133 N LEU A 12 12.341 7.516 2.848 1.00 0.00 N ATOM 134 CA LEU A 12 11.916 6.701 3.992 1.00 0.00 C ATOM 135 C LEU A 12 12.404 5.262 3.823 1.00 0.00 C ATOM 136 O LEU A 12 12.305 4.723 2.724 1.00 0.00 O ATOM 137 CB LEU A 12 10.376 6.680 4.115 1.00 0.00 C ATOM 138 CG LEU A 12 9.619 8.005 4.339 1.00 0.00 C ATOM 139 CD1 LEU A 12 10.084 8.728 5.607 1.00 0.00 C ATOM 140 CD2 LEU A 12 9.659 8.972 3.147 1.00 0.00 C ATOM 0 H LEU A 12 11.572 8.077 2.481 1.00 0.00 H new ATOM 0 HA LEU A 12 12.346 7.144 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.981 6.226 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.122 6.014 4.940 1.00 0.00 H new ATOM 0 HG LEU A 12 8.580 7.698 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.523 9.655 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.913 8.089 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.147 8.954 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.102 9.876 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.694 9.233 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.210 8.495 2.276 1.00 0.00 H new ATOM 152 N THR A 13 12.923 4.627 4.876 1.00 0.00 N ATOM 153 CA THR A 13 13.421 3.268 4.759 1.00 0.00 C ATOM 154 C THR A 13 12.235 2.307 4.605 1.00 0.00 C ATOM 155 O THR A 13 11.159 2.595 5.148 1.00 0.00 O ATOM 156 CB THR A 13 14.306 2.892 5.963 1.00 0.00 C ATOM 157 OG1 THR A 13 13.653 3.078 7.204 1.00 0.00 O ATOM 158 CG2 THR A 13 15.587 3.724 5.984 1.00 0.00 C ATOM 0 H THR A 13 13.006 5.033 5.808 1.00 0.00 H new ATOM 0 HA THR A 13 14.051 3.192 3.873 1.00 0.00 H new ATOM 0 HB THR A 13 14.533 1.833 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.457 2.205 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.193 3.438 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.151 3.547 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.333 4.782 6.055 1.00 0.00 H new ATOM 166 N PRO A 14 12.445 1.142 3.971 1.00 0.00 N ATOM 167 CA PRO A 14 11.467 0.067 3.847 1.00 0.00 C ATOM 168 C PRO A 14 10.785 -0.249 5.182 1.00 0.00 C ATOM 169 O PRO A 14 9.567 -0.399 5.244 1.00 0.00 O ATOM 170 CB PRO A 14 12.238 -1.137 3.288 1.00 0.00 C ATOM 171 CG PRO A 14 13.549 -0.581 2.717 1.00 0.00 C ATOM 172 CD PRO A 14 13.675 0.830 3.268 1.00 0.00 C ATOM 0 HA PRO A 14 10.651 0.351 3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.435 -1.870 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.661 -1.643 2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.398 -1.195 3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.529 -0.575 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.529 0.902 3.941 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.845 1.542 2.460 1.00 0.00 H new ATOM 180 N SER A 15 11.547 -0.274 6.270 1.00 0.00 N ATOM 181 CA SER A 15 11.082 -0.577 7.614 1.00 0.00 C ATOM 182 C SER A 15 10.069 0.401 8.221 1.00 0.00 C ATOM 183 O SER A 15 9.444 0.067 9.233 1.00 0.00 O ATOM 184 CB SER A 15 12.327 -0.623 8.498 1.00 0.00 C ATOM 185 OG SER A 15 13.214 0.458 8.233 1.00 0.00 O ATOM 0 H SER A 15 12.547 -0.075 6.235 1.00 0.00 H new ATOM 0 HA SER A 15 10.535 -1.518 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.028 -0.597 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.849 -1.567 8.339 1.00 0.00 H new ATOM 0 HG SER A 15 13.995 0.392 8.821 1.00 0.00 H new ATOM 191 N THR A 16 9.921 1.603 7.665 1.00 0.00 N ATOM 192 CA THR A 16 9.069 2.639 8.234 1.00 0.00 C ATOM 193 C THR A 16 7.614 2.167 8.160 1.00 0.00 C ATOM 194 O THR A 16 7.178 1.697 7.116 1.00 0.00 O ATOM 195 CB THR A 16 9.296 3.955 7.473 1.00 0.00 C ATOM 196 OG1 THR A 16 10.675 4.208 7.263 1.00 0.00 O ATOM 197 CG2 THR A 16 8.713 5.151 8.224 1.00 0.00 C ATOM 0 H THR A 16 10.391 1.884 6.805 1.00 0.00 H new ATOM 0 HA THR A 16 9.313 2.822 9.281 1.00 0.00 H new ATOM 0 HB THR A 16 8.790 3.835 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.975 3.736 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.894 6.062 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.640 5.011 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.189 5.234 9.201 1.00 0.00 H new ATOM 205 N TYR A 17 6.847 2.257 9.245 1.00 0.00 N ATOM 206 CA TYR A 17 5.456 1.808 9.241 1.00 0.00 C ATOM 207 C TYR A 17 4.584 2.818 8.496 1.00 0.00 C ATOM 208 O TYR A 17 4.846 4.018 8.573 1.00 0.00 O ATOM 209 CB TYR A 17 4.978 1.621 10.677 1.00 0.00 C ATOM 210 CG TYR A 17 5.588 0.407 11.345 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.909 0.451 11.819 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.851 -0.782 11.462 1.00 0.00 C ATOM 213 CE1 TYR A 17 7.458 -0.636 12.510 1.00 0.00 C ATOM 214 CE2 TYR A 17 5.405 -1.891 12.130 1.00 0.00 C ATOM 215 CZ TYR A 17 6.703 -1.814 12.681 1.00 0.00 C ATOM 216 OH TYR A 17 7.237 -2.849 13.382 1.00 0.00 O ATOM 0 H TYR A 17 7.165 2.636 10.137 1.00 0.00 H new ATOM 0 HA TYR A 17 5.380 0.851 8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.225 2.511 11.256 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.892 1.527 10.684 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.508 1.333 11.649 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.859 -0.846 11.040 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.459 -0.572 12.911 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.835 -2.804 12.221 1.00 0.00 H new ATOM 0 HH TYR A 17 6.595 -3.589 13.413 1.00 0.00 H new ATOM 226 N ILE A 18 3.508 2.368 7.838 1.00 0.00 N ATOM 227 CA ILE A 18 2.670 3.256 7.017 1.00 0.00 C ATOM 228 C ILE A 18 2.083 4.380 7.877 1.00 0.00 C ATOM 229 O ILE A 18 2.120 5.554 7.517 1.00 0.00 O ATOM 230 CB ILE A 18 1.515 2.536 6.278 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.706 1.036 6.006 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.231 3.280 4.963 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.641 0.770 4.846 1.00 0.00 C ATOM 0 H ILE A 18 3.196 1.397 7.857 1.00 0.00 H new ATOM 0 HA ILE A 18 3.336 3.655 6.252 1.00 0.00 H new ATOM 0 HB ILE A 18 0.668 2.570 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.098 0.555 6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.737 0.582 5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.419 2.783 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.946 4.309 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.127 3.276 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.740 -0.305 4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.237 1.225 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.620 1.198 5.062 1.00 0.00 H new ATOM 245 N ARG A 19 1.568 4.029 9.056 1.00 0.00 N ATOM 246 CA ARG A 19 0.964 4.970 9.999 1.00 0.00 C ATOM 247 C ARG A 19 1.965 6.018 10.497 1.00 0.00 C ATOM 248 O ARG A 19 1.566 7.067 10.999 1.00 0.00 O ATOM 249 CB ARG A 19 0.345 4.170 11.156 1.00 0.00 C ATOM 250 CG ARG A 19 1.389 3.410 12.002 1.00 0.00 C ATOM 251 CD ARG A 19 1.635 4.067 13.362 1.00 0.00 C ATOM 252 NE ARG A 19 2.873 3.556 13.973 1.00 0.00 N ATOM 253 CZ ARG A 19 3.737 4.270 14.704 1.00 0.00 C ATOM 254 NH1 ARG A 19 3.452 5.514 15.073 1.00 0.00 N ATOM 255 NH2 ARG A 19 4.908 3.749 15.038 1.00 0.00 N ATOM 0 H ARG A 19 1.559 3.065 9.388 1.00 0.00 H new ATOM 0 HA ARG A 19 0.183 5.535 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.210 4.850 11.802 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.373 3.457 10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.052 2.385 12.154 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.329 3.358 11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.703 5.148 13.242 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.791 3.872 14.023 1.00 0.00 H new ATOM 0 HE ARG A 19 3.092 2.571 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.565 5.937 14.799 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.120 6.046 15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.150 2.805 14.738 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.568 4.292 15.595 1.00 0.00 H new ATOM 269 N ASN A 20 3.264 5.732 10.389 1.00 0.00 N ATOM 270 CA ASN A 20 4.347 6.642 10.749 1.00 0.00 C ATOM 271 C ASN A 20 4.727 7.597 9.602 1.00 0.00 C ATOM 272 O ASN A 20 5.696 8.347 9.740 1.00 0.00 O ATOM 273 CB ASN A 20 5.576 5.824 11.194 1.00 0.00 C ATOM 274 CG ASN A 20 6.608 6.685 11.914 1.00 0.00 C ATOM 275 OD1 ASN A 20 6.278 7.548 12.722 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.884 6.431 11.701 1.00 0.00 N ATOM 0 H ASN A 20 3.598 4.834 10.038 1.00 0.00 H new ATOM 0 HA ASN A 20 3.994 7.266 11.570 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.255 5.017 11.853 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.037 5.360 10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.599 6.952 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.156 5.713 11.029 1.00 0.00 H new ATOM 283 N LEU A 21 4.064 7.542 8.440 1.00 0.00 N ATOM 284 CA LEU A 21 4.381 8.420 7.312 1.00 0.00 C ATOM 285 C LEU A 21 3.637 9.751 7.455 1.00 0.00 C ATOM 286 O LEU A 21 2.580 9.829 8.081 1.00 0.00 O ATOM 287 CB LEU A 21 4.090 7.745 5.955 1.00 0.00 C ATOM 288 CG LEU A 21 4.783 6.383 5.698 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.719 6.028 4.212 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.247 6.417 6.154 1.00 0.00 C ATOM 0 H LEU A 21 3.299 6.892 8.258 1.00 0.00 H new ATOM 0 HA LEU A 21 5.452 8.622 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.013 7.601 5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.384 8.432 5.162 1.00 0.00 H new ATOM 0 HG LEU A 21 4.255 5.624 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.210 5.069 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.677 5.962 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.225 6.800 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.710 5.449 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.782 7.191 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.291 6.635 7.221 1.00 0.00 H new ATOM 302 N ASN A 22 4.216 10.809 6.878 1.00 0.00 N ATOM 303 CA ASN A 22 3.709 12.176 6.993 1.00 0.00 C ATOM 304 C ASN A 22 2.477 12.377 6.118 1.00 0.00 C ATOM 305 O ASN A 22 2.347 11.727 5.079 1.00 0.00 O ATOM 306 CB ASN A 22 4.769 13.178 6.500 1.00 0.00 C ATOM 307 CG ASN A 22 4.527 14.570 7.062 1.00 0.00 C ATOM 308 OD1 ASN A 22 4.029 15.451 6.365 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.832 14.782 8.325 1.00 0.00 N ATOM 0 H ASN A 22 5.061 10.737 6.311 1.00 0.00 H new ATOM 0 HA ASN A 22 3.464 12.340 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.761 12.834 6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.755 13.217 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.656 15.694 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.245 14.034 8.882 1.00 0.00 H new ATOM 316 N VAL A 23 1.672 13.392 6.426 1.00 0.00 N ATOM 317 CA VAL A 23 0.655 13.909 5.516 1.00 0.00 C ATOM 318 C VAL A 23 1.205 14.309 4.148 1.00 0.00 C ATOM 319 O VAL A 23 0.474 14.174 3.174 1.00 0.00 O ATOM 320 CB VAL A 23 -0.155 15.056 6.132 1.00 0.00 C ATOM 321 CG1 VAL A 23 -1.243 14.451 7.016 1.00 0.00 C ATOM 322 CG2 VAL A 23 0.726 16.068 6.872 1.00 0.00 C ATOM 0 H VAL A 23 1.708 13.881 7.320 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.021 13.070 5.350 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.624 15.637 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.833 15.250 7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.892 13.817 6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.782 13.854 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.101 16.858 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.260 15.565 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.445 16.502 6.177 1.00 0.00 H new ATOM 332 N GLY A 24 2.463 14.750 4.042 1.00 0.00 N ATOM 333 CA GLY A 24 3.108 15.009 2.762 1.00 0.00 C ATOM 334 C GLY A 24 3.035 13.765 1.882 1.00 0.00 C ATOM 335 O GLY A 24 2.349 13.769 0.857 1.00 0.00 O ATOM 0 H GLY A 24 3.060 14.936 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.622 15.847 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.149 15.293 2.920 1.00 0.00 H new ATOM 339 N ILE A 25 3.679 12.685 2.337 1.00 0.00 N ATOM 340 CA ILE A 25 3.720 11.390 1.673 1.00 0.00 C ATOM 341 C ILE A 25 2.290 10.900 1.442 1.00 0.00 C ATOM 342 O ILE A 25 1.981 10.491 0.331 1.00 0.00 O ATOM 343 CB ILE A 25 4.553 10.373 2.486 1.00 0.00 C ATOM 344 CG1 ILE A 25 6.033 10.787 2.649 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.552 9.005 1.778 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.351 11.753 3.781 1.00 0.00 C ATOM 0 H ILE A 25 4.204 12.696 3.211 1.00 0.00 H new ATOM 0 HA ILE A 25 4.214 11.493 0.707 1.00 0.00 H new ATOM 0 HB ILE A 25 4.086 10.331 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.625 9.884 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.366 11.237 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.141 8.295 2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.528 8.641 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.986 9.110 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.420 11.965 3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.799 12.681 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.062 11.306 4.732 1.00 0.00 H new ATOM 358 N LEU A 26 1.406 10.959 2.444 1.00 0.00 N ATOM 359 CA LEU A 26 0.017 10.521 2.306 1.00 0.00 C ATOM 360 C LEU A 26 -0.667 11.236 1.150 1.00 0.00 C ATOM 361 O LEU A 26 -1.294 10.580 0.324 1.00 0.00 O ATOM 362 CB LEU A 26 -0.768 10.792 3.593 1.00 0.00 C ATOM 363 CG LEU A 26 -0.617 9.695 4.655 1.00 0.00 C ATOM 364 CD1 LEU A 26 -0.968 10.247 6.035 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.574 8.539 4.342 1.00 0.00 C ATOM 0 H LEU A 26 1.636 11.312 3.373 1.00 0.00 H new ATOM 0 HA LEU A 26 0.031 9.449 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.438 11.741 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.824 10.903 3.347 1.00 0.00 H new ATOM 0 HG LEU A 26 0.415 9.346 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.857 9.460 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.299 11.073 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.998 10.603 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.465 7.761 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.600 8.906 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.338 8.127 3.361 1.00 0.00 H new ATOM 377 N ARG A 27 -0.595 12.566 1.102 1.00 0.00 N ATOM 378 CA ARG A 27 -1.185 13.385 0.041 1.00 0.00 C ATOM 379 C ARG A 27 -0.546 13.098 -1.315 1.00 0.00 C ATOM 380 O ARG A 27 -1.243 13.117 -2.328 1.00 0.00 O ATOM 381 CB ARG A 27 -1.111 14.855 0.425 1.00 0.00 C ATOM 382 CG ARG A 27 -2.149 15.061 1.536 1.00 0.00 C ATOM 383 CD ARG A 27 -2.035 16.465 2.079 1.00 0.00 C ATOM 384 NE ARG A 27 -2.984 16.650 3.184 1.00 0.00 N ATOM 385 CZ ARG A 27 -3.859 17.645 3.347 1.00 0.00 C ATOM 386 NH1 ARG A 27 -3.731 18.791 2.684 1.00 0.00 N ATOM 387 NH2 ARG A 27 -4.875 17.493 4.184 1.00 0.00 N ATOM 0 H ARG A 27 -0.115 13.117 1.814 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.237 13.120 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.112 15.116 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.327 15.492 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.153 14.891 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.990 14.337 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.018 16.649 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.238 17.188 1.289 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.974 15.935 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.953 18.922 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.410 19.539 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.985 16.620 4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.547 18.249 4.313 1.00 0.00 H new ATOM 401 N LYS A 28 0.758 12.810 -1.356 1.00 0.00 N ATOM 402 CA LYS A 28 1.448 12.421 -2.584 1.00 0.00 C ATOM 403 C LYS A 28 0.929 11.076 -3.071 1.00 0.00 C ATOM 404 O LYS A 28 0.494 10.956 -4.207 1.00 0.00 O ATOM 405 CB LYS A 28 2.958 12.352 -2.371 1.00 0.00 C ATOM 406 CG LYS A 28 3.551 13.724 -2.055 1.00 0.00 C ATOM 407 CD LYS A 28 4.743 14.087 -2.936 1.00 0.00 C ATOM 408 CE LYS A 28 4.280 14.844 -4.186 1.00 0.00 C ATOM 409 NZ LYS A 28 5.358 15.676 -4.759 1.00 0.00 N ATOM 0 H LYS A 28 1.364 12.841 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 28 1.246 13.180 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.179 11.664 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.433 11.948 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.777 14.482 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.861 13.746 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.445 14.701 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.275 13.182 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.935 14.131 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.429 15.477 -3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.004 16.171 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.670 16.374 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.160 15.070 -5.025 1.00 0.00 H new ATOM 423 N LEU A 29 0.958 10.065 -2.208 1.00 0.00 N ATOM 424 CA LEU A 29 0.409 8.740 -2.467 1.00 0.00 C ATOM 425 C LEU A 29 -1.038 8.847 -2.930 1.00 0.00 C ATOM 426 O LEU A 29 -1.378 8.275 -3.954 1.00 0.00 O ATOM 427 CB LEU A 29 0.543 7.844 -1.222 1.00 0.00 C ATOM 428 CG LEU A 29 1.821 6.984 -1.200 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.676 5.787 -2.146 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.111 7.741 -1.541 1.00 0.00 C ATOM 0 H LEU A 29 1.377 10.149 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 29 0.981 8.273 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.526 8.473 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.325 7.187 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 29 1.922 6.656 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.587 5.189 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.831 5.175 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.507 6.144 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.957 7.055 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.032 8.161 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.262 8.546 -0.821 1.00 0.00 H new ATOM 442 N SER A 30 -1.879 9.608 -2.234 1.00 0.00 N ATOM 443 CA SER A 30 -3.278 9.846 -2.577 1.00 0.00 C ATOM 444 C SER A 30 -3.426 10.432 -3.983 1.00 0.00 C ATOM 445 O SER A 30 -4.455 10.215 -4.623 1.00 0.00 O ATOM 446 CB SER A 30 -3.870 10.756 -1.488 1.00 0.00 C ATOM 447 OG SER A 30 -4.979 11.526 -1.885 1.00 0.00 O ATOM 0 H SER A 30 -1.594 10.094 -1.384 1.00 0.00 H new ATOM 0 HA SER A 30 -3.830 8.906 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.163 10.137 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.088 11.429 -1.136 1.00 0.00 H new ATOM 0 HG SER A 30 -5.679 10.936 -2.234 1.00 0.00 H new ATOM 453 N ASP A 31 -2.427 11.153 -4.483 1.00 0.00 N ATOM 454 CA ASP A 31 -2.436 11.718 -5.822 1.00 0.00 C ATOM 455 C ASP A 31 -2.360 10.607 -6.877 1.00 0.00 C ATOM 456 O ASP A 31 -2.903 10.771 -7.967 1.00 0.00 O ATOM 457 CB ASP A 31 -1.258 12.694 -5.950 1.00 0.00 C ATOM 458 CG ASP A 31 -1.549 13.909 -6.819 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.179 13.805 -7.897 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.164 15.019 -6.384 1.00 0.00 O ATOM 0 H ASP A 31 -1.577 11.362 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.367 12.258 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.971 13.033 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.402 12.161 -6.364 1.00 0.00 H new ATOM 465 N PHE A 32 -1.726 9.468 -6.566 1.00 0.00 N ATOM 466 CA PHE A 32 -1.500 8.363 -7.504 1.00 0.00 C ATOM 467 C PHE A 32 -2.405 7.158 -7.191 1.00 0.00 C ATOM 468 O PHE A 32 -2.690 6.362 -8.081 1.00 0.00 O ATOM 469 CB PHE A 32 0.000 7.962 -7.519 1.00 0.00 C ATOM 470 CG PHE A 32 1.025 9.092 -7.554 1.00 0.00 C ATOM 471 CD1 PHE A 32 0.734 10.357 -8.101 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.289 8.880 -6.974 1.00 0.00 C ATOM 473 CE1 PHE A 32 1.632 11.422 -7.919 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.207 9.932 -6.840 1.00 0.00 C ATOM 475 CZ PHE A 32 2.852 11.224 -7.262 1.00 0.00 C ATOM 0 H PHE A 32 -1.349 9.287 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.768 8.708 -8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.196 7.356 -6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.170 7.325 -8.387 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.178 10.508 -8.659 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.556 7.893 -6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.378 12.404 -8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.183 9.749 -6.414 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.515 12.057 -7.081 1.00 0.00 H new ATOM 485 N ILE A 33 -2.815 6.992 -5.928 1.00 0.00 N ATOM 486 CA ILE A 33 -3.515 5.825 -5.396 1.00 0.00 C ATOM 487 C ILE A 33 -5.026 6.036 -5.238 1.00 0.00 C ATOM 488 O ILE A 33 -5.774 5.070 -5.381 1.00 0.00 O ATOM 489 CB ILE A 33 -2.807 5.375 -4.094 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.318 5.028 -4.319 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.458 4.167 -3.410 1.00 0.00 C ATOM 492 CD1 ILE A 33 -1.069 3.906 -5.332 1.00 0.00 C ATOM 0 H ILE A 33 -2.658 7.706 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.454 5.015 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.906 6.244 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.797 5.924 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.877 4.742 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.902 3.917 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.488 4.409 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.448 3.315 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.003 3.731 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.557 2.993 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.475 4.194 -6.301 1.00 0.00 H new ATOM 504 N ASP A 34 -5.511 7.253 -4.950 1.00 0.00 N ATOM 505 CA ASP A 34 -6.956 7.506 -4.991 1.00 0.00 C ATOM 506 C ASP A 34 -7.485 7.296 -6.417 1.00 0.00 C ATOM 507 O ASP A 34 -8.501 6.603 -6.553 1.00 0.00 O ATOM 508 CB ASP A 34 -7.392 8.897 -4.504 1.00 0.00 C ATOM 509 CG ASP A 34 -7.275 9.171 -3.003 1.00 0.00 C ATOM 510 OD1 ASP A 34 -7.259 8.239 -2.171 1.00 0.00 O ATOM 511 OD2 ASP A 34 -7.224 10.370 -2.633 1.00 0.00 O ATOM 0 H ASP A 34 -4.940 8.058 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.384 6.790 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.799 9.643 -5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.431 9.049 -4.797 1.00 0.00 H new ATOM 516 N PRO A 35 -6.865 7.855 -7.483 1.00 0.00 N ATOM 517 CA PRO A 35 -7.316 7.594 -8.843 1.00 0.00 C ATOM 518 C PRO A 35 -7.047 6.146 -9.250 1.00 0.00 C ATOM 519 O PRO A 35 -6.342 5.400 -8.568 1.00 0.00 O ATOM 520 CB PRO A 35 -6.546 8.579 -9.723 1.00 0.00 C ATOM 521 CG PRO A 35 -5.241 8.769 -8.979 1.00 0.00 C ATOM 522 CD PRO A 35 -5.727 8.780 -7.533 1.00 0.00 C ATOM 0 HA PRO A 35 -8.393 7.729 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.383 8.181 -10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.084 9.520 -9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.536 7.960 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.742 9.698 -9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.936 8.463 -6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.026 9.783 -7.229 1.00 0.00 H new ATOM 530 N GLN A 36 -7.614 5.753 -10.394 1.00 0.00 N ATOM 531 CA GLN A 36 -7.385 4.471 -11.058 1.00 0.00 C ATOM 532 C GLN A 36 -7.637 3.268 -10.133 1.00 0.00 C ATOM 533 O GLN A 36 -7.210 2.153 -10.435 1.00 0.00 O ATOM 534 CB GLN A 36 -5.994 4.476 -11.723 1.00 0.00 C ATOM 535 CG GLN A 36 -5.937 5.513 -12.858 1.00 0.00 C ATOM 536 CD GLN A 36 -4.527 5.717 -13.400 1.00 0.00 C ATOM 537 OE1 GLN A 36 -3.785 4.768 -13.633 1.00 0.00 O ATOM 538 NE2 GLN A 36 -4.139 6.958 -13.636 1.00 0.00 N ATOM 0 H GLN A 36 -8.271 6.345 -10.902 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.123 4.346 -11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.231 4.702 -10.979 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.771 3.485 -12.118 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.591 5.193 -13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.323 6.465 -12.494 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.768 7.736 -13.437 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.210 7.138 -14.018 1.00 0.00 H new ATOM 547 N GLU A 37 -8.392 3.464 -9.043 1.00 0.00 N ATOM 548 CA GLU A 37 -8.666 2.479 -8.001 1.00 0.00 C ATOM 549 C GLU A 37 -7.377 1.876 -7.419 1.00 0.00 C ATOM 550 O GLU A 37 -7.388 0.744 -6.933 1.00 0.00 O ATOM 551 CB GLU A 37 -9.697 1.457 -8.523 1.00 0.00 C ATOM 552 CG GLU A 37 -11.116 2.026 -8.419 1.00 0.00 C ATOM 553 CD GLU A 37 -12.082 1.229 -9.293 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.612 0.184 -8.852 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.283 1.604 -10.470 1.00 0.00 O ATOM 0 H GLU A 37 -8.847 4.358 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.124 2.965 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.475 1.205 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.626 0.534 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.449 1.999 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.117 3.072 -8.727 1.00 0.00 H new ATOM 562 N GLY A 38 -6.276 2.635 -7.416 1.00 0.00 N ATOM 563 CA GLY A 38 -5.006 2.229 -6.822 1.00 0.00 C ATOM 564 C GLY A 38 -5.186 1.720 -5.390 1.00 0.00 C ATOM 565 O GLY A 38 -4.594 0.710 -5.013 1.00 0.00 O ATOM 0 H GLY A 38 -6.246 3.565 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.553 1.447 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.317 3.074 -6.824 1.00 0.00 H new ATOM 569 N TRP A 39 -6.029 2.379 -4.594 1.00 0.00 N ATOM 570 CA TRP A 39 -6.336 1.993 -3.228 1.00 0.00 C ATOM 571 C TRP A 39 -7.027 0.628 -3.179 1.00 0.00 C ATOM 572 O TRP A 39 -6.659 -0.211 -2.361 1.00 0.00 O ATOM 573 CB TRP A 39 -7.214 3.061 -2.574 1.00 0.00 C ATOM 574 CG TRP A 39 -8.551 3.272 -3.216 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.815 4.073 -4.272 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.806 2.608 -2.891 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.142 3.951 -4.625 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.792 3.034 -3.825 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.181 1.618 -1.957 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.086 2.496 -3.828 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.482 1.085 -1.951 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.446 1.554 -2.854 1.00 0.00 C ATOM 0 H TRP A 39 -6.527 3.217 -4.895 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.400 1.910 -2.675 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.370 2.790 -1.530 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.673 4.007 -2.581 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.096 4.711 -4.764 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.586 4.472 -5.381 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.458 1.265 -1.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.801 2.805 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.740 0.309 -1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.462 1.191 -2.800 1.00 0.00 H new ATOM 593 N LYS A 40 -8.009 0.364 -4.053 1.00 0.00 N ATOM 594 CA LYS A 40 -8.658 -0.948 -4.118 1.00 0.00 C ATOM 595 C LYS A 40 -7.626 -2.000 -4.460 1.00 0.00 C ATOM 596 O LYS A 40 -7.690 -3.105 -3.927 1.00 0.00 O ATOM 597 CB LYS A 40 -9.747 -1.024 -5.199 1.00 0.00 C ATOM 598 CG LYS A 40 -11.110 -0.514 -4.787 1.00 0.00 C ATOM 599 CD LYS A 40 -12.233 -1.176 -5.583 1.00 0.00 C ATOM 600 CE LYS A 40 -13.429 -0.237 -5.748 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.276 -0.653 -6.880 1.00 0.00 N ATOM 0 H LYS A 40 -8.369 1.043 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.116 -1.114 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.413 -0.456 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.847 -2.062 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.261 -0.700 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.152 0.566 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.861 -1.470 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.551 -2.087 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.019 -0.230 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.076 0.782 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.224 -0.239 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.851 -0.324 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.351 -1.690 -6.894 1.00 0.00 H new ATOM 615 N LYS A 41 -6.713 -1.669 -5.367 1.00 0.00 N ATOM 616 CA LYS A 41 -5.711 -2.591 -5.856 1.00 0.00 C ATOM 617 C LYS A 41 -4.771 -2.932 -4.703 1.00 0.00 C ATOM 618 O LYS A 41 -4.546 -4.105 -4.430 1.00 0.00 O ATOM 619 CB LYS A 41 -5.019 -1.988 -7.072 1.00 0.00 C ATOM 620 CG LYS A 41 -5.931 -1.999 -8.306 1.00 0.00 C ATOM 621 CD LYS A 41 -5.432 -0.952 -9.299 1.00 0.00 C ATOM 622 CE LYS A 41 -6.183 -1.071 -10.624 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.799 -0.006 -11.568 1.00 0.00 N ATOM 0 H LYS A 41 -6.653 -0.740 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.148 -3.529 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.719 -0.964 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.108 -2.547 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.929 -2.987 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.960 -1.784 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.570 0.046 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.363 -1.082 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.979 -2.044 -11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.256 -1.023 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.109 -0.264 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.251 0.887 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.766 0.111 -11.558 1.00 0.00 H new ATOM 637 N LEU A 42 -4.273 -1.936 -3.970 1.00 0.00 N ATOM 638 CA LEU A 42 -3.488 -2.134 -2.769 1.00 0.00 C ATOM 639 C LEU A 42 -4.262 -2.999 -1.766 1.00 0.00 C ATOM 640 O LEU A 42 -3.758 -4.027 -1.327 1.00 0.00 O ATOM 641 CB LEU A 42 -3.118 -0.732 -2.259 1.00 0.00 C ATOM 642 CG LEU A 42 -2.042 -0.626 -1.171 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.666 -0.457 0.214 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.992 -1.742 -1.177 1.00 0.00 C ATOM 0 H LEU A 42 -4.411 -0.953 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.567 -2.688 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.789 -0.141 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.026 -0.264 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.485 0.276 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.877 -0.385 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.268 0.451 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.299 -1.317 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.278 -1.574 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.483 -2.704 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.467 -1.742 -2.132 1.00 0.00 H new ATOM 656 N ALA A 43 -5.507 -2.640 -1.448 1.00 0.00 N ATOM 657 CA ALA A 43 -6.348 -3.356 -0.496 1.00 0.00 C ATOM 658 C ALA A 43 -6.536 -4.833 -0.856 1.00 0.00 C ATOM 659 O ALA A 43 -6.328 -5.696 -0.010 1.00 0.00 O ATOM 660 CB ALA A 43 -7.704 -2.662 -0.389 1.00 0.00 C ATOM 0 H ALA A 43 -5.966 -1.825 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.837 -3.334 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.332 -3.198 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.562 -1.637 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.187 -2.655 -1.366 1.00 0.00 H new ATOM 666 N VAL A 44 -6.975 -5.151 -2.077 1.00 0.00 N ATOM 667 CA VAL A 44 -7.206 -6.498 -2.547 1.00 0.00 C ATOM 668 C VAL A 44 -5.892 -7.278 -2.673 1.00 0.00 C ATOM 669 O VAL A 44 -5.883 -8.505 -2.530 1.00 0.00 O ATOM 670 CB VAL A 44 -8.007 -6.345 -3.860 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.183 -6.098 -5.118 1.00 0.00 C ATOM 672 CG2 VAL A 44 -8.898 -7.534 -4.099 1.00 0.00 C ATOM 0 H VAL A 44 -7.183 -4.444 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.782 -7.102 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.589 -5.439 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.848 -6.007 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.611 -5.178 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.500 -6.933 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.448 -7.395 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.290 -8.436 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.602 -7.633 -3.273 1.00 0.00 H new ATOM 682 N ALA A 45 -4.769 -6.595 -2.910 1.00 0.00 N ATOM 683 CA ALA A 45 -3.458 -7.224 -2.921 1.00 0.00 C ATOM 684 C ALA A 45 -3.060 -7.643 -1.508 1.00 0.00 C ATOM 685 O ALA A 45 -2.448 -8.699 -1.360 1.00 0.00 O ATOM 686 CB ALA A 45 -2.420 -6.278 -3.534 1.00 0.00 C ATOM 0 H ALA A 45 -4.749 -5.593 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.500 -8.122 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.443 -6.762 -3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.707 -6.036 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.370 -5.362 -2.945 1.00 0.00 H new ATOM 692 N ILE A 46 -3.408 -6.870 -0.476 1.00 0.00 N ATOM 693 CA ILE A 46 -3.068 -7.183 0.906 1.00 0.00 C ATOM 694 C ILE A 46 -3.856 -8.415 1.357 1.00 0.00 C ATOM 695 O ILE A 46 -5.054 -8.360 1.658 1.00 0.00 O ATOM 696 CB ILE A 46 -3.281 -5.975 1.838 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.328 -4.823 1.467 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.990 -6.355 3.301 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.877 -3.464 1.891 1.00 0.00 C ATOM 0 H ILE A 46 -3.937 -6.004 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.005 -7.416 0.964 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.319 -5.664 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.360 -4.987 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.159 -4.825 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.147 -5.486 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.660 -7.158 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.957 -6.690 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.171 -2.682 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.832 -3.287 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.020 -3.451 2.971 1.00 0.00 H new ATOM 711 N LYS A 47 -3.153 -9.537 1.462 1.00 0.00 N ATOM 712 CA LYS A 47 -3.579 -10.646 2.298 1.00 0.00 C ATOM 713 C LYS A 47 -2.809 -10.575 3.612 1.00 0.00 C ATOM 714 O LYS A 47 -1.723 -9.999 3.684 1.00 0.00 O ATOM 715 CB LYS A 47 -3.345 -11.986 1.584 1.00 0.00 C ATOM 716 CG LYS A 47 -4.558 -12.457 0.765 1.00 0.00 C ATOM 717 CD LYS A 47 -4.990 -11.557 -0.392 1.00 0.00 C ATOM 718 CE LYS A 47 -3.849 -11.455 -1.401 1.00 0.00 C ATOM 719 NZ LYS A 47 -4.280 -10.866 -2.675 1.00 0.00 N ATOM 0 H LYS A 47 -2.274 -9.700 0.970 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.648 -10.576 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.483 -11.892 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.098 -12.746 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.336 -13.446 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.404 -12.571 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.880 -11.963 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.252 -10.567 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.046 -10.851 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.439 -12.448 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.445 -10.615 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.858 -11.554 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.843 -10.011 -2.490 1.00 0.00 H new ATOM 733 N LYS A 48 -3.374 -11.182 4.647 1.00 0.00 N ATOM 734 CA LYS A 48 -2.673 -11.592 5.847 1.00 0.00 C ATOM 735 C LYS A 48 -1.626 -12.641 5.490 1.00 0.00 C ATOM 736 O LYS A 48 -1.704 -13.239 4.414 1.00 0.00 O ATOM 737 CB LYS A 48 -3.687 -12.192 6.832 1.00 0.00 C ATOM 738 CG LYS A 48 -4.485 -11.109 7.552 1.00 0.00 C ATOM 739 CD LYS A 48 -4.786 -11.511 8.996 1.00 0.00 C ATOM 740 CE LYS A 48 -5.846 -10.585 9.594 1.00 0.00 C ATOM 741 NZ LYS A 48 -5.864 -10.675 11.064 1.00 0.00 N ATOM 0 H LYS A 48 -4.368 -11.408 4.671 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.179 -10.733 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.370 -12.850 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.163 -12.805 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.925 -10.174 7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.419 -10.928 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.135 -12.543 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.874 -11.464 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.646 -9.557 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.827 -10.848 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.592 -10.036 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.078 -11.652 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.934 -10.401 11.440 1.00 0.00 H new ATOM 755 N PRO A 49 -0.722 -12.977 6.420 1.00 0.00 N ATOM 756 CA PRO A 49 0.312 -13.971 6.190 1.00 0.00 C ATOM 757 C PRO A 49 -0.226 -15.356 5.793 1.00 0.00 C ATOM 758 O PRO A 49 0.499 -16.116 5.155 1.00 0.00 O ATOM 759 CB PRO A 49 1.129 -14.005 7.485 1.00 0.00 C ATOM 760 CG PRO A 49 0.852 -12.660 8.150 1.00 0.00 C ATOM 761 CD PRO A 49 -0.583 -12.387 7.741 1.00 0.00 C ATOM 0 HA PRO A 49 0.922 -13.696 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.824 -14.834 8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.192 -14.135 7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.963 -12.711 9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.531 -11.884 7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.285 -12.832 8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.789 -11.317 7.718 1.00 0.00 H new ATOM 769 N SER A 50 -1.475 -15.702 6.133 1.00 0.00 N ATOM 770 CA SER A 50 -2.116 -16.951 5.717 1.00 0.00 C ATOM 771 C SER A 50 -2.847 -16.881 4.369 1.00 0.00 C ATOM 772 O SER A 50 -3.403 -17.897 3.957 1.00 0.00 O ATOM 773 CB SER A 50 -3.126 -17.387 6.779 1.00 0.00 C ATOM 774 OG SER A 50 -2.508 -17.664 8.021 1.00 0.00 O ATOM 0 H SER A 50 -2.074 -15.113 6.712 1.00 0.00 H new ATOM 0 HA SER A 50 -1.302 -17.666 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.872 -16.603 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.655 -18.275 6.432 1.00 0.00 H new ATOM 0 HG SER A 50 -3.188 -17.937 8.671 1.00 0.00 H new ATOM 780 N GLY A 51 -2.909 -15.729 3.699 1.00 0.00 N ATOM 781 CA GLY A 51 -3.700 -15.586 2.481 1.00 0.00 C ATOM 782 C GLY A 51 -5.134 -15.123 2.748 1.00 0.00 C ATOM 783 O GLY A 51 -5.965 -15.189 1.845 1.00 0.00 O ATOM 0 H GLY A 51 -2.419 -14.881 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.211 -14.871 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.725 -16.541 1.956 1.00 0.00 H new ATOM 787 N ASP A 52 -5.466 -14.684 3.967 1.00 0.00 N ATOM 788 CA ASP A 52 -6.792 -14.134 4.270 1.00 0.00 C ATOM 789 C ASP A 52 -6.826 -12.705 3.752 1.00 0.00 C ATOM 790 O ASP A 52 -5.928 -11.935 4.084 1.00 0.00 O ATOM 791 CB ASP A 52 -7.104 -14.099 5.777 1.00 0.00 C ATOM 792 CG ASP A 52 -6.846 -15.406 6.513 1.00 0.00 C ATOM 793 OD1 ASP A 52 -7.327 -16.466 6.057 1.00 0.00 O ATOM 794 OD2 ASP A 52 -6.155 -15.350 7.559 1.00 0.00 O ATOM 0 H ASP A 52 -4.830 -14.699 4.764 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.535 -14.777 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.506 -13.314 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.150 -13.823 5.911 1.00 0.00 H new ATOM 799 N ASP A 53 -7.818 -12.319 2.954 1.00 0.00 N ATOM 800 CA ASP A 53 -7.950 -10.935 2.488 1.00 0.00 C ATOM 801 C ASP A 53 -8.105 -10.040 3.709 1.00 0.00 C ATOM 802 O ASP A 53 -9.074 -10.201 4.455 1.00 0.00 O ATOM 803 CB ASP A 53 -9.185 -10.735 1.601 1.00 0.00 C ATOM 804 CG ASP A 53 -9.024 -11.293 0.196 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.718 -12.498 0.061 1.00 0.00 O ATOM 806 OD2 ASP A 53 -9.334 -10.555 -0.762 1.00 0.00 O ATOM 0 H ASP A 53 -8.547 -12.946 2.613 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.065 -10.691 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.043 -11.211 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.407 -9.670 1.536 1.00 0.00 H new ATOM 811 N ARG A 54 -7.185 -9.094 3.935 1.00 0.00 N ATOM 812 CA ARG A 54 -7.344 -8.202 5.085 1.00 0.00 C ATOM 813 C ARG A 54 -8.608 -7.357 4.984 1.00 0.00 C ATOM 814 O ARG A 54 -9.202 -7.039 6.014 1.00 0.00 O ATOM 815 CB ARG A 54 -6.139 -7.277 5.295 1.00 0.00 C ATOM 816 CG ARG A 54 -5.038 -7.964 6.102 1.00 0.00 C ATOM 817 CD ARG A 54 -4.056 -6.942 6.682 1.00 0.00 C ATOM 818 NE ARG A 54 -3.115 -7.586 7.603 1.00 0.00 N ATOM 819 CZ ARG A 54 -3.318 -7.845 8.897 1.00 0.00 C ATOM 820 NH1 ARG A 54 -4.404 -7.417 9.536 1.00 0.00 N ATOM 821 NH2 ARG A 54 -2.412 -8.549 9.550 1.00 0.00 N ATOM 0 H ARG A 54 -6.357 -8.931 3.363 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.422 -8.864 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.743 -6.968 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.459 -6.372 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.484 -8.543 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.501 -8.667 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.507 -6.459 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.606 -6.160 7.205 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.213 -7.865 7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.109 -6.875 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.531 -7.631 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.579 -8.882 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.545 -8.759 10.539 1.00 0.00 H new ATOM 835 N TYR A 55 -9.000 -6.983 3.764 1.00 0.00 N ATOM 836 CA TYR A 55 -10.105 -6.076 3.505 1.00 0.00 C ATOM 837 C TYR A 55 -10.932 -6.691 2.387 1.00 0.00 C ATOM 838 O TYR A 55 -10.696 -6.412 1.210 1.00 0.00 O ATOM 839 CB TYR A 55 -9.583 -4.664 3.159 1.00 0.00 C ATOM 840 CG TYR A 55 -8.442 -4.195 4.039 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.706 -3.847 5.376 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.113 -4.216 3.565 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.646 -3.581 6.254 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.049 -3.931 4.440 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.312 -3.650 5.800 1.00 0.00 C ATOM 846 OH TYR A 55 -5.288 -3.547 6.687 1.00 0.00 O ATOM 0 H TYR A 55 -8.543 -7.313 2.914 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.732 -5.946 4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.254 -4.654 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.406 -3.954 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.726 -3.785 5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.913 -4.451 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.851 -3.322 7.282 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.033 -3.927 4.073 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.497 -3.189 6.233 1.00 0.00 H new ATOM 856 N ASN A 56 -11.887 -7.551 2.735 1.00 0.00 N ATOM 857 CA ASN A 56 -12.912 -8.016 1.802 1.00 0.00 C ATOM 858 C ASN A 56 -13.738 -6.856 1.233 1.00 0.00 C ATOM 859 O ASN A 56 -13.600 -5.692 1.628 1.00 0.00 O ATOM 860 CB ASN A 56 -13.863 -9.032 2.461 1.00 0.00 C ATOM 861 CG ASN A 56 -14.546 -8.497 3.719 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.507 -7.303 4.001 1.00 0.00 O ATOM 863 ND2 ASN A 56 -15.177 -9.347 4.504 1.00 0.00 N ATOM 0 H ASN A 56 -11.972 -7.945 3.672 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.378 -8.503 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.626 -9.326 1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.302 -9.931 2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.637 -9.014 5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.206 -10.338 4.264 1.00 0.00 H new ATOM 870 N GLN A 57 -14.656 -7.196 0.323 1.00 0.00 N ATOM 871 CA GLN A 57 -15.499 -6.238 -0.369 1.00 0.00 C ATOM 872 C GLN A 57 -16.298 -5.345 0.589 1.00 0.00 C ATOM 873 O GLN A 57 -16.575 -4.194 0.261 1.00 0.00 O ATOM 874 CB GLN A 57 -16.427 -6.938 -1.372 1.00 0.00 C ATOM 875 CG GLN A 57 -15.654 -7.519 -2.565 1.00 0.00 C ATOM 876 CD GLN A 57 -16.573 -8.181 -3.587 1.00 0.00 C ATOM 877 OE1 GLN A 57 -17.691 -7.736 -3.836 1.00 0.00 O ATOM 878 NE2 GLN A 57 -16.137 -9.277 -4.181 1.00 0.00 N ATOM 0 H GLN A 57 -14.831 -8.162 0.048 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.828 -5.580 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.969 -7.738 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.171 -6.228 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.089 -6.723 -3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.930 -8.250 -2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.207 -9.638 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.730 -9.763 -4.854 1.00 0.00 H new ATOM 887 N PHE A 58 -16.605 -5.825 1.793 1.00 0.00 N ATOM 888 CA PHE A 58 -17.293 -5.057 2.817 1.00 0.00 C ATOM 889 C PHE A 58 -16.462 -3.833 3.233 1.00 0.00 C ATOM 890 O PHE A 58 -16.995 -2.725 3.342 1.00 0.00 O ATOM 891 CB PHE A 58 -17.576 -6.001 3.991 1.00 0.00 C ATOM 892 CG PHE A 58 -18.564 -5.497 5.014 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.930 -5.415 4.688 1.00 0.00 C ATOM 894 CD2 PHE A 58 -18.133 -5.212 6.323 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.867 -5.070 5.676 1.00 0.00 C ATOM 896 CE2 PHE A 58 -19.072 -4.869 7.307 1.00 0.00 C ATOM 897 CZ PHE A 58 -20.438 -4.812 6.990 1.00 0.00 C ATOM 0 H PHE A 58 -16.377 -6.775 2.084 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.236 -4.662 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.945 -6.946 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.634 -6.214 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.258 -5.617 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -17.082 -5.257 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.916 -5.003 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.743 -4.648 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 58 -21.160 -4.570 7.756 1.00 0.00 H new ATOM 907 N HIS A 59 -15.145 -3.990 3.408 1.00 0.00 N ATOM 908 CA HIS A 59 -14.258 -2.892 3.751 1.00 0.00 C ATOM 909 C HIS A 59 -13.995 -2.042 2.512 1.00 0.00 C ATOM 910 O HIS A 59 -13.898 -0.823 2.600 1.00 0.00 O ATOM 911 CB HIS A 59 -12.956 -3.462 4.306 1.00 0.00 C ATOM 912 CG HIS A 59 -13.139 -4.161 5.626 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.342 -5.509 5.822 1.00 0.00 N ATOM 914 CD2 HIS A 59 -13.154 -3.557 6.851 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.425 -5.719 7.144 1.00 0.00 C ATOM 916 NE2 HIS A 59 -13.319 -4.559 7.816 1.00 0.00 N ATOM 0 H HIS A 59 -14.671 -4.888 3.314 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.718 -2.258 4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.535 -4.163 3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.233 -2.655 4.425 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -13.416 -6.219 5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.056 -2.498 7.041 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.559 -6.686 7.605 1.00 0.00 H new ATOM 924 N ILE A 60 -13.951 -2.649 1.325 1.00 0.00 N ATOM 925 CA ILE A 60 -13.896 -1.887 0.086 1.00 0.00 C ATOM 926 C ILE A 60 -15.096 -0.942 0.006 1.00 0.00 C ATOM 927 O ILE A 60 -14.919 0.211 -0.368 1.00 0.00 O ATOM 928 CB ILE A 60 -13.783 -2.835 -1.121 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.498 -3.683 -1.076 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.893 -2.102 -2.461 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.186 -2.888 -1.131 1.00 0.00 C ATOM 0 H ILE A 60 -13.953 -3.661 1.200 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.002 -1.264 0.069 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.636 -3.509 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.506 -4.277 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.515 -4.383 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.806 -2.820 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.858 -1.598 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.093 -1.365 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.342 -3.576 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.146 -2.315 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.137 -2.207 -0.281 1.00 0.00 H new ATOM 943 N ARG A 61 -16.308 -1.380 0.351 1.00 0.00 N ATOM 944 CA ARG A 61 -17.491 -0.520 0.316 1.00 0.00 C ATOM 945 C ARG A 61 -17.429 0.612 1.338 1.00 0.00 C ATOM 946 O ARG A 61 -17.920 1.710 1.055 1.00 0.00 O ATOM 947 CB ARG A 61 -18.760 -1.355 0.520 1.00 0.00 C ATOM 948 CG ARG A 61 -19.150 -2.136 -0.745 1.00 0.00 C ATOM 949 CD ARG A 61 -19.598 -1.243 -1.914 1.00 0.00 C ATOM 950 NE ARG A 61 -21.058 -1.165 -2.050 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.713 -0.572 -3.053 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.058 0.067 -4.019 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.033 -0.671 -3.075 1.00 0.00 N ATOM 0 H ARG A 61 -16.496 -2.334 0.660 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.516 -0.054 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.605 -2.053 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.582 -0.700 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.300 -2.738 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.956 -2.828 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.198 -0.239 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.172 -1.627 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.619 -1.600 -1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.039 0.110 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.575 0.514 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.518 -1.188 -2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.565 -0.231 -3.826 1.00 0.00 H new ATOM 967 N ARG A 62 -16.846 0.386 2.515 1.00 0.00 N ATOM 968 CA ARG A 62 -16.483 1.448 3.440 1.00 0.00 C ATOM 969 C ARG A 62 -15.543 2.435 2.743 1.00 0.00 C ATOM 970 O ARG A 62 -15.873 3.614 2.663 1.00 0.00 O ATOM 971 CB ARG A 62 -15.856 0.837 4.696 1.00 0.00 C ATOM 972 CG ARG A 62 -16.804 0.112 5.663 1.00 0.00 C ATOM 973 CD ARG A 62 -17.573 1.097 6.550 1.00 0.00 C ATOM 974 NE ARG A 62 -18.106 0.424 7.748 1.00 0.00 N ATOM 975 CZ ARG A 62 -17.799 0.707 9.022 1.00 0.00 C ATOM 976 NH1 ARG A 62 -17.306 1.885 9.384 1.00 0.00 N ATOM 977 NH2 ARG A 62 -17.998 -0.218 9.945 1.00 0.00 N ATOM 0 H ARG A 62 -16.612 -0.548 2.852 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.369 2.003 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.087 0.132 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.354 1.633 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.510 -0.493 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.231 -0.571 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.915 1.913 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.392 1.540 5.983 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.774 -0.331 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.150 2.609 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.084 2.066 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.379 -1.127 9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.771 -0.023 10.920 1.00 0.00 H new ATOM 991 N PHE A 63 -14.422 1.982 2.175 1.00 0.00 N ATOM 992 CA PHE A 63 -13.471 2.871 1.512 1.00 0.00 C ATOM 993 C PHE A 63 -14.087 3.607 0.307 1.00 0.00 C ATOM 994 O PHE A 63 -13.812 4.787 0.119 1.00 0.00 O ATOM 995 CB PHE A 63 -12.218 2.086 1.103 1.00 0.00 C ATOM 996 CG PHE A 63 -11.362 1.514 2.225 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.870 2.340 3.255 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.008 0.149 2.213 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.064 1.800 4.273 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.204 -0.391 3.232 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.730 0.436 4.263 1.00 0.00 C ATOM 0 H PHE A 63 -14.152 0.998 2.163 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.190 3.644 2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.529 1.262 0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.590 2.741 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.113 3.392 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.358 -0.487 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.700 2.437 5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.951 -1.441 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.110 0.024 5.046 1.00 0.00 H new ATOM 1011 N GLU A 64 -14.959 2.977 -0.486 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.702 3.629 -1.560 1.00 0.00 C ATOM 1013 C GLU A 64 -16.495 4.791 -0.985 1.00 0.00 C ATOM 1014 O GLU A 64 -16.496 5.860 -1.573 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.698 2.698 -2.272 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.099 1.651 -3.213 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.138 0.915 -4.066 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.355 0.916 -3.775 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.718 0.262 -5.049 1.00 0.00 O ATOM 0 H GLU A 64 -15.169 1.983 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.961 3.952 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.283 2.179 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.392 3.314 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.381 2.138 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.545 0.921 -2.623 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.147 4.625 0.167 1.00 0.00 N ATOM 1027 CA ALA A 65 -17.951 5.691 0.746 1.00 0.00 C ATOM 1028 C ALA A 65 -17.130 6.955 1.012 1.00 0.00 C ATOM 1029 O ALA A 65 -17.693 8.044 1.067 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.616 5.187 2.021 1.00 0.00 C ATOM 0 H ALA A 65 -17.131 3.763 0.713 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.719 5.970 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.219 5.984 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.255 4.336 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.851 4.880 2.734 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.809 6.835 1.157 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.893 7.962 1.244 1.00 0.00 C ATOM 1038 C LEU A 66 -14.874 8.672 -0.109 1.00 0.00 C ATOM 1039 O LEU A 66 -15.328 9.811 -0.197 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.496 7.492 1.700 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.535 6.655 2.995 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.169 6.038 3.257 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -13.919 7.517 4.205 1.00 0.00 C ATOM 0 H LEU A 66 -15.341 5.931 1.218 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.227 8.675 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.040 6.901 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.859 8.362 1.856 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.285 5.876 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.206 5.449 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.895 5.394 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.427 6.829 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.938 6.898 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.187 8.315 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.906 7.952 4.044 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.425 8.007 -1.178 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.288 8.619 -2.499 1.00 0.00 C ATOM 1057 C LEU A 67 -15.627 9.091 -3.077 1.00 0.00 C ATOM 1058 O LEU A 67 -15.667 10.090 -3.792 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.535 7.656 -3.436 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.369 6.581 -4.166 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.935 7.076 -5.505 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.515 5.349 -4.447 1.00 0.00 C ATOM 0 H LEU A 67 -14.146 7.026 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.697 9.529 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.020 8.252 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.768 7.148 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.200 6.341 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.512 6.279 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.580 7.937 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.115 7.364 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.116 4.599 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.668 5.629 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.150 4.937 -3.506 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.718 8.387 -2.762 1.00 0.00 N ATOM 1075 CA GLN A 68 -18.082 8.678 -3.194 1.00 0.00 C ATOM 1076 C GLN A 68 -18.635 9.926 -2.489 1.00 0.00 C ATOM 1077 O GLN A 68 -19.697 10.415 -2.882 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.982 7.459 -2.894 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.616 6.163 -3.649 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.280 5.984 -5.012 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -19.521 6.934 -5.745 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -19.549 4.753 -5.417 1.00 0.00 N ATOM 0 H GLN A 68 -16.668 7.558 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.073 8.877 -4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.947 7.258 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.012 7.721 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.535 6.136 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.880 5.311 -3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.349 3.960 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.957 4.597 -6.339 1.00 0.00 H new ATOM 1091 N THR A 69 -17.945 10.440 -1.462 1.00 0.00 N ATOM 1092 CA THR A 69 -18.319 11.656 -0.745 1.00 0.00 C ATOM 1093 C THR A 69 -17.239 12.742 -0.841 1.00 0.00 C ATOM 1094 O THR A 69 -17.560 13.924 -0.706 1.00 0.00 O ATOM 1095 CB THR A 69 -18.742 11.322 0.693 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.718 10.670 1.415 1.00 0.00 O ATOM 1097 CG2 THR A 69 -19.978 10.416 0.719 1.00 0.00 C ATOM 0 H THR A 69 -17.093 10.009 -1.102 1.00 0.00 H new ATOM 0 HA THR A 69 -19.191 12.092 -1.233 1.00 0.00 H new ATOM 0 HB THR A 69 -18.965 12.281 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.626 9.749 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 69 -20.249 10.200 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.808 10.919 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.757 9.484 0.200 1.00 0.00 H new ATOM 1105 N GLY A 70 -16.001 12.372 -1.181 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.916 13.277 -1.539 1.00 0.00 C ATOM 1107 C GLY A 70 -13.661 13.120 -0.678 1.00 0.00 C ATOM 1108 O GLY A 70 -12.738 13.926 -0.823 1.00 0.00 O ATOM 0 H GLY A 70 -15.720 11.392 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.650 13.113 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.272 14.304 -1.459 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.605 12.142 0.231 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.439 11.855 1.057 1.00 0.00 C ATOM 1114 C LYS A 71 -11.530 10.825 0.388 1.00 0.00 C ATOM 1115 O LYS A 71 -12.008 9.977 -0.362 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.923 11.300 2.398 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.667 12.350 3.237 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.427 12.158 4.738 1.00 0.00 C ATOM 1119 CE LYS A 71 -11.959 12.488 5.032 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.654 12.526 6.474 1.00 0.00 N ATOM 0 H LYS A 71 -14.390 11.516 0.414 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.869 12.773 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.581 10.450 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.068 10.928 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.341 13.347 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.735 12.290 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.086 12.807 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.653 11.133 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.322 11.745 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.714 13.453 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.648 12.754 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.239 13.253 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.859 11.598 6.897 1.00 0.00 H new ATOM 1134 N SER A 72 -10.245 10.824 0.742 1.00 0.00 N ATOM 1135 CA SER A 72 -9.278 9.837 0.291 1.00 0.00 C ATOM 1136 C SER A 72 -9.534 8.488 0.950 1.00 0.00 C ATOM 1137 O SER A 72 -9.375 8.380 2.173 1.00 0.00 O ATOM 1138 CB SER A 72 -7.859 10.273 0.659 1.00 0.00 C ATOM 1139 OG SER A 72 -7.424 11.303 -0.185 1.00 0.00 O ATOM 0 H SER A 72 -9.844 11.526 1.364 1.00 0.00 H new ATOM 0 HA SER A 72 -9.382 9.751 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.834 10.610 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.181 9.423 0.584 1.00 0.00 H new ATOM 0 HG SER A 72 -7.345 10.964 -1.101 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.821 7.435 0.176 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.654 6.072 0.643 1.00 0.00 C ATOM 1147 C PRO A 73 -8.186 5.748 0.881 1.00 0.00 C ATOM 1148 O PRO A 73 -7.922 5.019 1.832 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.272 5.194 -0.446 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.088 6.029 -1.712 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.226 7.457 -1.221 1.00 0.00 C ATOM 0 HA PRO A 73 -10.141 5.905 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.767 4.231 -0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.324 4.988 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.114 5.855 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.840 5.789 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.597 8.133 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.252 7.809 -1.325 1.00 0.00 H new ATOM 1159 N THR A 74 -7.237 6.316 0.121 1.00 0.00 N ATOM 1160 CA THR A 74 -5.818 6.068 0.354 1.00 0.00 C ATOM 1161 C THR A 74 -5.470 6.373 1.809 1.00 0.00 C ATOM 1162 O THR A 74 -4.833 5.556 2.459 1.00 0.00 O ATOM 1163 CB THR A 74 -4.954 6.895 -0.612 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.315 6.602 -1.934 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.457 6.613 -0.484 1.00 0.00 C ATOM 0 H THR A 74 -7.432 6.947 -0.656 1.00 0.00 H new ATOM 0 HA THR A 74 -5.606 5.016 0.163 1.00 0.00 H new ATOM 0 HB THR A 74 -5.133 7.939 -0.353 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.217 6.943 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.908 7.231 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.128 6.846 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.266 5.561 -0.695 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.894 7.525 2.332 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.413 8.024 3.612 1.00 0.00 C ATOM 1175 C CYS A 75 -5.948 7.212 4.795 1.00 0.00 C ATOM 1176 O CYS A 75 -5.280 7.115 5.824 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.860 9.496 3.706 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.870 10.467 4.864 1.00 0.00 S ATOM 0 H CYS A 75 -6.577 8.132 1.879 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.328 7.932 3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.801 9.951 2.717 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.906 9.533 4.012 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.305 11.692 4.886 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.145 6.649 4.664 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.757 5.760 5.643 1.00 0.00 C ATOM 1186 C GLU A 76 -7.130 4.380 5.518 1.00 0.00 C ATOM 1187 O GLU A 76 -6.621 3.874 6.509 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.270 5.730 5.356 1.00 0.00 C ATOM 1189 CG GLU A 76 -10.002 6.874 6.075 1.00 0.00 C ATOM 1190 CD GLU A 76 -10.153 6.679 7.584 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.997 5.867 8.009 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.458 7.384 8.357 1.00 0.00 O ATOM 0 H GLU A 76 -7.734 6.805 3.846 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.594 6.104 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.439 5.806 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.683 4.774 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.463 7.804 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.993 6.988 5.635 1.00 0.00 H new ATOM 1199 N LEU A 77 -7.122 3.794 4.318 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.580 2.464 4.073 1.00 0.00 C ATOM 1201 C LEU A 77 -5.127 2.387 4.528 1.00 0.00 C ATOM 1202 O LEU A 77 -4.772 1.485 5.277 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.715 2.132 2.580 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.971 0.860 2.128 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.501 -0.438 2.738 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -6.088 0.777 0.610 1.00 0.00 C ATOM 0 H LEU A 77 -7.498 4.240 3.481 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.141 1.728 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.773 2.021 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.345 2.977 2.000 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.941 0.949 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.919 -1.280 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.416 -0.391 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.547 -0.569 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.571 -0.114 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.140 0.724 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.637 1.662 0.161 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.282 3.313 4.061 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.862 3.318 4.353 1.00 0.00 C ATOM 1220 C LEU A 78 -2.638 3.405 5.859 1.00 0.00 C ATOM 1221 O LEU A 78 -1.850 2.637 6.402 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.168 4.501 3.652 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.869 4.285 2.154 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.946 5.400 1.664 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.221 2.943 1.785 1.00 0.00 C ATOM 0 H LEU A 78 -4.578 4.085 3.464 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.430 2.390 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.795 5.386 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.231 4.711 4.168 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.847 4.290 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.730 5.255 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.434 6.365 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.015 5.377 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.057 2.902 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.266 2.846 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.879 2.127 2.083 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.306 4.347 6.530 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.277 4.469 7.974 1.00 0.00 C ATOM 1239 C PHE A 79 -3.682 3.173 8.691 1.00 0.00 C ATOM 1240 O PHE A 79 -2.941 2.701 9.555 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.197 5.622 8.368 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.168 5.900 9.844 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -5.018 5.172 10.687 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -3.242 6.815 10.373 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -4.886 5.293 12.078 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -3.134 6.964 11.765 1.00 0.00 C ATOM 1247 CZ PHE A 79 -3.936 6.179 12.616 1.00 0.00 C ATOM 0 H PHE A 79 -3.886 5.050 6.073 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.252 4.669 8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.901 6.520 7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.218 5.388 8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.771 4.521 10.268 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.618 7.400 9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.512 4.707 12.734 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.439 7.678 12.181 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.821 6.258 13.687 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.860 2.631 8.375 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.480 1.514 9.092 1.00 0.00 C ATOM 1259 C ASP A 80 -4.638 0.249 8.926 1.00 0.00 C ATOM 1260 O ASP A 80 -4.389 -0.493 9.880 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.909 1.298 8.572 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.746 0.461 9.539 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.740 -0.793 9.459 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.433 1.064 10.393 1.00 0.00 O ATOM 0 H ASP A 80 -5.424 2.965 7.593 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.530 1.748 10.156 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.390 2.264 8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.871 0.803 7.602 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.117 0.052 7.715 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.140 -0.969 7.386 1.00 0.00 C ATOM 1271 C TRP A 81 -1.822 -0.732 8.129 1.00 0.00 C ATOM 1272 O TRP A 81 -1.184 -1.663 8.622 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.934 -0.934 5.869 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.090 -2.023 5.320 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.114 -3.320 5.695 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -1.055 -1.907 4.312 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.164 -4.014 4.981 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.460 -3.187 4.140 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.551 -0.839 3.545 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.621 -3.393 3.281 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.510 -1.044 2.651 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.097 -2.314 2.531 1.00 0.00 C ATOM 0 H TRP A 81 -4.378 0.623 6.911 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.498 -1.950 7.696 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.910 -0.974 5.385 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.484 0.022 5.602 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.774 -3.745 6.437 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -1.003 -5.018 5.066 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.985 0.145 3.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.080 -4.367 3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.877 -0.223 2.053 1.00 0.00 H new ATOM 0 HH2 TRP A 81 1.925 -2.458 1.852 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.421 0.530 8.248 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.246 0.958 8.972 1.00 0.00 C ATOM 1295 C GLY A 82 -0.303 0.552 10.432 1.00 0.00 C ATOM 1296 O GLY A 82 0.679 0.005 10.930 1.00 0.00 O ATOM 0 H GLY A 82 -1.930 1.306 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.642 0.527 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.150 2.041 8.900 1.00 0.00 H new ATOM 1300 N THR A 83 -1.413 0.819 11.126 1.00 0.00 N ATOM 1301 CA THR A 83 -1.547 0.433 12.527 1.00 0.00 C ATOM 1302 C THR A 83 -1.614 -1.106 12.652 1.00 0.00 C ATOM 1303 O THR A 83 -1.129 -1.674 13.629 1.00 0.00 O ATOM 1304 CB THR A 83 -2.667 1.258 13.203 1.00 0.00 C ATOM 1305 OG1 THR A 83 -2.407 1.412 14.581 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.071 0.690 13.054 1.00 0.00 C ATOM 0 H THR A 83 -2.226 1.299 10.740 1.00 0.00 H new ATOM 0 HA THR A 83 -0.661 0.692 13.107 1.00 0.00 H new ATOM 0 HB THR A 83 -2.650 2.211 12.675 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.124 1.938 14.993 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.783 1.341 13.562 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.328 0.627 11.997 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.110 -0.305 13.496 1.00 0.00 H new ATOM 1314 N THR A 84 -2.063 -1.810 11.606 1.00 0.00 N ATOM 1315 CA THR A 84 -1.948 -3.258 11.430 1.00 0.00 C ATOM 1316 C THR A 84 -0.493 -3.750 11.229 1.00 0.00 C ATOM 1317 O THR A 84 -0.271 -4.952 11.067 1.00 0.00 O ATOM 1318 CB THR A 84 -2.959 -3.661 10.329 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.102 -4.219 10.949 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.499 -4.613 9.226 1.00 0.00 C ATOM 0 H THR A 84 -2.539 -1.361 10.823 1.00 0.00 H new ATOM 0 HA THR A 84 -2.213 -3.783 12.348 1.00 0.00 H new ATOM 0 HB THR A 84 -3.140 -2.725 9.801 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.753 -4.478 10.263 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.323 -4.795 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.664 -4.167 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.182 -5.557 9.669 1.00 0.00 H new ATOM 1328 N ASN A 85 0.517 -2.876 11.323 1.00 0.00 N ATOM 1329 CA ASN A 85 1.946 -3.184 11.496 1.00 0.00 C ATOM 1330 C ASN A 85 2.666 -3.353 10.154 1.00 0.00 C ATOM 1331 O ASN A 85 3.804 -3.831 10.120 1.00 0.00 O ATOM 1332 CB ASN A 85 2.236 -4.391 12.421 1.00 0.00 C ATOM 1333 CG ASN A 85 1.456 -4.363 13.726 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.628 -3.468 14.547 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.584 -5.331 13.945 1.00 0.00 N ATOM 0 H ASN A 85 0.350 -1.871 11.278 1.00 0.00 H new ATOM 0 HA ASN A 85 2.349 -2.309 12.005 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.000 -5.311 11.887 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.302 -4.417 12.646 1.00 0.00 H new ATOM 0 HD21 ASN A 85 0.041 -5.342 14.808 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.454 -6.067 13.251 1.00 0.00 H new ATOM 1342 N CYS A 86 2.024 -3.005 9.039 1.00 0.00 N ATOM 1343 CA CYS A 86 2.652 -3.073 7.727 1.00 0.00 C ATOM 1344 C CYS A 86 3.538 -1.847 7.474 1.00 0.00 C ATOM 1345 O CYS A 86 3.524 -0.874 8.236 1.00 0.00 O ATOM 1346 CB CYS A 86 1.570 -3.300 6.677 1.00 0.00 C ATOM 1347 SG CYS A 86 0.995 -5.010 6.909 1.00 0.00 S ATOM 0 H CYS A 86 1.060 -2.671 9.023 1.00 0.00 H new ATOM 0 HA CYS A 86 3.336 -3.920 7.669 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.750 -2.593 6.802 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.965 -3.155 5.672 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.235 -5.113 6.501 1.00 0.00 H new ATOM 1353 N THR A 87 4.389 -1.945 6.451 1.00 0.00 N ATOM 1354 CA THR A 87 5.564 -1.094 6.279 1.00 0.00 C ATOM 1355 C THR A 87 5.697 -0.466 4.889 1.00 0.00 C ATOM 1356 O THR A 87 5.023 -0.875 3.951 1.00 0.00 O ATOM 1357 CB THR A 87 6.816 -1.901 6.684 1.00 0.00 C ATOM 1358 OG1 THR A 87 6.754 -3.265 6.281 1.00 0.00 O ATOM 1359 CG2 THR A 87 6.994 -1.922 8.193 1.00 0.00 C ATOM 0 H THR A 87 4.277 -2.632 5.705 1.00 0.00 H new ATOM 0 HA THR A 87 5.448 -0.231 6.934 1.00 0.00 H new ATOM 0 HB THR A 87 7.643 -1.398 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.572 -3.726 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.884 -2.498 8.446 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.105 -0.902 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.121 -2.381 8.656 1.00 0.00 H new ATOM 1367 N VAL A 88 6.590 0.512 4.742 1.00 0.00 N ATOM 1368 CA VAL A 88 6.882 1.174 3.469 1.00 0.00 C ATOM 1369 C VAL A 88 7.328 0.141 2.430 1.00 0.00 C ATOM 1370 O VAL A 88 6.884 0.212 1.285 1.00 0.00 O ATOM 1371 CB VAL A 88 7.970 2.255 3.676 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.717 2.650 2.395 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.341 3.531 4.232 1.00 0.00 C ATOM 0 H VAL A 88 7.142 0.874 5.519 1.00 0.00 H new ATOM 0 HA VAL A 88 5.979 1.660 3.100 1.00 0.00 H new ATOM 0 HB VAL A 88 8.686 1.806 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.461 3.412 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.213 1.774 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.008 3.046 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.114 4.286 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.595 3.904 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.865 3.315 5.188 1.00 0.00 H new ATOM 1383 N GLY A 89 8.205 -0.785 2.828 1.00 0.00 N ATOM 1384 CA GLY A 89 8.668 -1.880 1.995 1.00 0.00 C ATOM 1385 C GLY A 89 7.465 -2.693 1.555 1.00 0.00 C ATOM 1386 O GLY A 89 7.283 -2.903 0.364 1.00 0.00 O ATOM 0 H GLY A 89 8.618 -0.787 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.203 -1.495 1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.367 -2.507 2.548 1.00 0.00 H new ATOM 1390 N ASP A 90 6.597 -3.047 2.514 1.00 0.00 N ATOM 1391 CA ASP A 90 5.336 -3.757 2.254 1.00 0.00 C ATOM 1392 C ASP A 90 4.551 -3.035 1.152 1.00 0.00 C ATOM 1393 O ASP A 90 4.139 -3.647 0.172 1.00 0.00 O ATOM 1394 CB ASP A 90 4.490 -3.841 3.546 1.00 0.00 C ATOM 1395 CG ASP A 90 4.111 -5.242 4.004 1.00 0.00 C ATOM 1396 OD1 ASP A 90 5.019 -6.093 4.116 1.00 0.00 O ATOM 1397 OD2 ASP A 90 2.968 -5.434 4.476 1.00 0.00 O ATOM 0 H ASP A 90 6.752 -2.846 3.502 1.00 0.00 H new ATOM 0 HA ASP A 90 5.563 -4.771 1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.041 -3.354 4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.574 -3.269 3.395 1.00 0.00 H new ATOM 1402 N LEU A 91 4.342 -1.724 1.316 1.00 0.00 N ATOM 1403 CA LEU A 91 3.574 -0.883 0.405 1.00 0.00 C ATOM 1404 C LEU A 91 4.168 -0.938 -0.990 1.00 0.00 C ATOM 1405 O LEU A 91 3.449 -1.271 -1.923 1.00 0.00 O ATOM 1406 CB LEU A 91 3.476 0.548 0.964 1.00 0.00 C ATOM 1407 CG LEU A 91 2.775 1.577 0.057 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.403 1.152 -0.489 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.589 2.880 0.846 1.00 0.00 C ATOM 0 H LEU A 91 4.716 -1.208 2.112 1.00 0.00 H new ATOM 0 HA LEU A 91 2.555 -1.261 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.946 0.510 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.484 0.905 1.175 1.00 0.00 H new ATOM 0 HG LEU A 91 3.424 1.688 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.998 1.948 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.513 0.244 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.724 0.962 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.093 3.619 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.979 2.687 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.563 3.261 1.155 1.00 0.00 H new ATOM 1421 N VAL A 92 5.450 -0.629 -1.139 1.00 0.00 N ATOM 1422 CA VAL A 92 6.161 -0.721 -2.407 1.00 0.00 C ATOM 1423 C VAL A 92 5.961 -2.096 -3.035 1.00 0.00 C ATOM 1424 O VAL A 92 5.666 -2.166 -4.223 1.00 0.00 O ATOM 1425 CB VAL A 92 7.638 -0.405 -2.138 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.621 -1.010 -3.150 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.788 1.108 -2.001 1.00 0.00 C ATOM 0 H VAL A 92 6.034 -0.302 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 92 5.771 -0.002 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 92 7.919 -0.895 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.640 -0.733 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.527 -2.096 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.396 -0.631 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.832 1.354 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.465 1.591 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.174 1.461 -1.173 1.00 0.00 H new ATOM 1437 N ASP A 93 6.107 -3.161 -2.251 1.00 0.00 N ATOM 1438 CA ASP A 93 6.058 -4.544 -2.710 1.00 0.00 C ATOM 1439 C ASP A 93 4.771 -4.781 -3.504 1.00 0.00 C ATOM 1440 O ASP A 93 4.784 -5.190 -4.669 1.00 0.00 O ATOM 1441 CB ASP A 93 6.109 -5.481 -1.495 1.00 0.00 C ATOM 1442 CG ASP A 93 6.742 -6.842 -1.780 1.00 0.00 C ATOM 1443 OD1 ASP A 93 6.337 -7.545 -2.739 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.643 -7.237 -1.002 1.00 0.00 O ATOM 0 H ASP A 93 6.268 -3.081 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 93 6.911 -4.746 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.668 -4.993 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.095 -5.635 -1.126 1.00 0.00 H new ATOM 1449 N LEU A 94 3.651 -4.454 -2.857 1.00 0.00 N ATOM 1450 CA LEU A 94 2.296 -4.567 -3.360 1.00 0.00 C ATOM 1451 C LEU A 94 2.055 -3.574 -4.489 1.00 0.00 C ATOM 1452 O LEU A 94 1.391 -3.916 -5.463 1.00 0.00 O ATOM 1453 CB LEU A 94 1.334 -4.297 -2.197 1.00 0.00 C ATOM 1454 CG LEU A 94 1.382 -5.422 -1.145 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.081 -4.875 0.238 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.350 -6.492 -1.456 1.00 0.00 C ATOM 0 H LEU A 94 3.676 -4.080 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 94 2.132 -5.567 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.589 -3.348 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.318 -4.200 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 94 2.385 -5.848 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.120 -5.685 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.820 -4.117 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.086 -4.429 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.401 -7.277 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.646 -6.049 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.553 -6.919 -2.438 1.00 0.00 H new ATOM 1468 N LEU A 95 2.566 -2.346 -4.377 1.00 0.00 N ATOM 1469 CA LEU A 95 2.424 -1.319 -5.406 1.00 0.00 C ATOM 1470 C LEU A 95 3.059 -1.777 -6.718 1.00 0.00 C ATOM 1471 O LEU A 95 2.461 -1.603 -7.780 1.00 0.00 O ATOM 1472 CB LEU A 95 3.039 0.013 -4.962 1.00 0.00 C ATOM 1473 CG LEU A 95 2.223 0.822 -3.950 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.043 2.065 -3.590 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.845 1.220 -4.477 1.00 0.00 C ATOM 0 H LEU A 95 3.094 -2.036 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 95 1.357 -1.163 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.020 -0.188 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.199 0.630 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 95 2.034 0.203 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.492 2.668 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.995 1.760 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.226 2.653 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.315 1.791 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.960 1.830 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.275 0.323 -4.720 1.00 0.00 H new ATOM 1487 N VAL A 96 4.250 -2.374 -6.667 1.00 0.00 N ATOM 1488 CA VAL A 96 4.879 -2.976 -7.833 1.00 0.00 C ATOM 1489 C VAL A 96 3.975 -4.105 -8.344 1.00 0.00 C ATOM 1490 O VAL A 96 3.681 -4.128 -9.542 1.00 0.00 O ATOM 1491 CB VAL A 96 6.322 -3.416 -7.489 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.999 -4.162 -8.643 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.219 -2.206 -7.168 1.00 0.00 C ATOM 0 H VAL A 96 4.803 -2.452 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 96 4.984 -2.260 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 96 6.219 -4.073 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.009 -4.448 -8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.425 -5.056 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.046 -3.513 -9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.225 -2.552 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.257 -1.542 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.810 -1.666 -6.314 1.00 0.00 H new ATOM 1503 N GLN A 97 3.452 -4.974 -7.465 1.00 0.00 N ATOM 1504 CA GLN A 97 2.598 -6.090 -7.845 1.00 0.00 C ATOM 1505 C GLN A 97 1.407 -5.598 -8.677 1.00 0.00 C ATOM 1506 O GLN A 97 1.119 -6.162 -9.734 1.00 0.00 O ATOM 1507 CB GLN A 97 2.227 -6.935 -6.594 1.00 0.00 C ATOM 1508 CG GLN A 97 0.727 -7.086 -6.285 1.00 0.00 C ATOM 1509 CD GLN A 97 0.411 -8.193 -5.278 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.157 -8.473 -4.344 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.720 -8.861 -5.425 1.00 0.00 N ATOM 0 H GLN A 97 3.617 -4.913 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 97 3.136 -6.773 -8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.651 -7.931 -6.718 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.711 -6.488 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.348 -6.139 -5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.193 -7.289 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.348 -8.637 -6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.965 -9.600 -4.766 1.00 0.00 H new ATOM 1520 N ILE A 98 0.705 -4.553 -8.232 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.539 -4.117 -8.868 1.00 0.00 C ATOM 1522 C ILE A 98 -0.313 -3.350 -10.175 1.00 0.00 C ATOM 1523 O ILE A 98 -1.277 -3.215 -10.933 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.423 -3.316 -7.899 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.727 -2.027 -7.436 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.852 -4.205 -6.718 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.629 -1.112 -6.617 1.00 0.00 C ATOM 0 H ILE A 98 0.980 -3.990 -7.427 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.071 -5.030 -9.135 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.325 -3.004 -8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.148 -2.289 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.368 -1.483 -8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.478 -3.628 -6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.415 -5.060 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.967 -4.557 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.073 -0.221 -6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.492 -0.820 -7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.968 -1.639 -5.725 1.00 0.00 H new ATOM 1539 N GLU A 99 0.913 -2.879 -10.433 1.00 0.00 N ATOM 1540 CA GLU A 99 1.363 -2.071 -11.571 1.00 0.00 C ATOM 1541 C GLU A 99 1.222 -0.571 -11.257 1.00 0.00 C ATOM 1542 O GLU A 99 0.723 0.202 -12.078 1.00 0.00 O ATOM 1543 CB GLU A 99 0.662 -2.437 -12.897 1.00 0.00 C ATOM 1544 CG GLU A 99 1.494 -2.000 -14.111 1.00 0.00 C ATOM 1545 CD GLU A 99 0.671 -1.711 -15.363 1.00 0.00 C ATOM 1546 OE1 GLU A 99 -0.331 -2.407 -15.645 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.063 -0.799 -16.129 1.00 0.00 O ATOM 0 H GLU A 99 1.683 -3.071 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 99 2.418 -2.302 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.495 -3.513 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.318 -1.961 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.059 -1.106 -13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.220 -2.780 -14.339 1.00 0.00 H new ATOM 1554 N LEU A 100 1.627 -0.145 -10.058 1.00 0.00 N ATOM 1555 CA LEU A 100 1.641 1.257 -9.651 1.00 0.00 C ATOM 1556 C LEU A 100 3.082 1.607 -9.257 1.00 0.00 C ATOM 1557 O LEU A 100 3.428 1.795 -8.088 1.00 0.00 O ATOM 1558 CB LEU A 100 0.624 1.522 -8.520 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.748 2.114 -8.903 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.617 3.501 -9.547 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.595 1.208 -9.802 1.00 0.00 C ATOM 0 H LEU A 100 1.960 -0.779 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 100 1.328 1.904 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.448 0.579 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.091 2.198 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.276 2.204 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.607 3.879 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.136 4.184 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.014 3.426 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.543 1.699 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.060 1.015 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.786 0.264 -9.291 1.00 0.00 H new ATOM 1573 N PHE A 101 3.962 1.670 -10.248 1.00 0.00 N ATOM 1574 CA PHE A 101 5.386 1.850 -10.041 1.00 0.00 C ATOM 1575 C PHE A 101 5.725 3.283 -9.642 1.00 0.00 C ATOM 1576 O PHE A 101 6.641 3.469 -8.849 1.00 0.00 O ATOM 1577 CB PHE A 101 6.167 1.444 -11.297 1.00 0.00 C ATOM 1578 CG PHE A 101 5.745 0.111 -11.882 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.940 -1.085 -11.163 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.110 0.075 -13.136 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.464 -2.304 -11.681 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.656 -1.144 -13.657 1.00 0.00 C ATOM 1583 CZ PHE A 101 4.807 -2.332 -12.922 1.00 0.00 C ATOM 0 H PHE A 101 3.699 1.596 -11.231 1.00 0.00 H new ATOM 0 HA PHE A 101 5.681 1.201 -9.216 1.00 0.00 H new ATOM 0 HB2 PHE A 101 6.043 2.217 -12.055 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.229 1.403 -11.054 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.455 -1.066 -10.214 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.972 0.987 -13.698 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.604 -3.219 -11.124 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.187 -1.171 -14.630 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.420 -3.263 -13.310 1.00 0.00 H new ATOM 1593 N ALA A 102 5.004 4.300 -10.123 1.00 0.00 N ATOM 1594 CA ALA A 102 5.236 5.693 -9.735 1.00 0.00 C ATOM 1595 C ALA A 102 5.211 5.883 -8.205 1.00 0.00 C ATOM 1596 O ALA A 102 6.218 6.348 -7.661 1.00 0.00 O ATOM 1597 CB ALA A 102 4.275 6.644 -10.454 1.00 0.00 C ATOM 0 H ALA A 102 4.243 4.180 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 102 6.244 5.953 -10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.476 7.669 -10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.417 6.558 -11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.247 6.383 -10.201 1.00 0.00 H new ATOM 1603 N PRO A 103 4.136 5.521 -7.474 1.00 0.00 N ATOM 1604 CA PRO A 103 4.108 5.630 -6.018 1.00 0.00 C ATOM 1605 C PRO A 103 5.152 4.718 -5.342 1.00 0.00 C ATOM 1606 O PRO A 103 5.731 5.125 -4.335 1.00 0.00 O ATOM 1607 CB PRO A 103 2.679 5.309 -5.575 1.00 0.00 C ATOM 1608 CG PRO A 103 2.086 4.571 -6.761 1.00 0.00 C ATOM 1609 CD PRO A 103 2.834 5.107 -7.968 1.00 0.00 C ATOM 0 HA PRO A 103 4.382 6.638 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.668 4.693 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.118 6.216 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.217 3.493 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.015 4.755 -6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.933 4.342 -8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.302 5.945 -8.418 1.00 0.00 H new ATOM 1617 N ALA A 104 5.433 3.527 -5.894 1.00 0.00 N ATOM 1618 CA ALA A 104 6.487 2.623 -5.419 1.00 0.00 C ATOM 1619 C ALA A 104 7.832 3.364 -5.449 1.00 0.00 C ATOM 1620 O ALA A 104 8.516 3.457 -4.437 1.00 0.00 O ATOM 1621 CB ALA A 104 6.513 1.359 -6.295 1.00 0.00 C ATOM 0 H ALA A 104 4.923 3.161 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 104 6.291 2.312 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.296 0.688 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.548 0.855 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.713 1.637 -7.330 1.00 0.00 H new ATOM 1627 N THR A 105 8.178 3.968 -6.584 1.00 0.00 N ATOM 1628 CA THR A 105 9.422 4.689 -6.805 1.00 0.00 C ATOM 1629 C THR A 105 9.505 5.919 -5.893 1.00 0.00 C ATOM 1630 O THR A 105 10.585 6.284 -5.423 1.00 0.00 O ATOM 1631 CB THR A 105 9.457 5.152 -8.270 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.171 4.120 -9.196 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.785 5.780 -8.667 1.00 0.00 C ATOM 0 H THR A 105 7.573 3.966 -7.405 1.00 0.00 H new ATOM 0 HA THR A 105 10.263 4.032 -6.582 1.00 0.00 H new ATOM 0 HB THR A 105 8.669 5.903 -8.317 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.201 4.041 -9.309 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.745 6.086 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.977 6.652 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.586 5.053 -8.532 1.00 0.00 H new ATOM 1641 N LEU A 106 8.374 6.591 -5.651 1.00 0.00 N ATOM 1642 CA LEU A 106 8.331 7.768 -4.798 1.00 0.00 C ATOM 1643 C LEU A 106 8.724 7.388 -3.369 1.00 0.00 C ATOM 1644 O LEU A 106 9.343 8.184 -2.662 1.00 0.00 O ATOM 1645 CB LEU A 106 6.922 8.376 -4.853 1.00 0.00 C ATOM 1646 CG LEU A 106 6.696 9.515 -3.841 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.593 10.734 -4.095 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.235 9.953 -3.877 1.00 0.00 C ATOM 0 H LEU A 106 7.469 6.330 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 106 9.043 8.515 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.739 8.755 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.190 7.590 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 106 6.958 9.119 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.385 11.501 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.639 10.436 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.393 11.132 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.079 10.759 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.985 10.305 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.596 9.109 -3.619 1.00 0.00 H new ATOM 1660 N LEU A 107 8.363 6.181 -2.936 1.00 0.00 N ATOM 1661 CA LEU A 107 8.736 5.676 -1.627 1.00 0.00 C ATOM 1662 C LEU A 107 10.171 5.156 -1.655 1.00 0.00 C ATOM 1663 O LEU A 107 10.962 5.613 -0.837 1.00 0.00 O ATOM 1664 CB LEU A 107 7.756 4.572 -1.214 1.00 0.00 C ATOM 1665 CG LEU A 107 6.354 5.116 -0.887 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.331 3.989 -1.002 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.291 5.734 0.518 1.00 0.00 C ATOM 0 H LEU A 107 7.804 5.530 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 107 8.687 6.480 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.679 3.840 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.151 4.048 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 107 6.126 5.905 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.338 4.374 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.339 3.593 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.585 3.194 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.284 6.105 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.544 4.977 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.000 6.559 0.585 1.00 0.00 H new ATOM 1679 N LEU A 108 10.509 4.248 -2.579 1.00 0.00 N ATOM 1680 CA LEU A 108 11.772 3.508 -2.675 1.00 0.00 C ATOM 1681 C LEU A 108 12.205 3.494 -4.155 1.00 0.00 C ATOM 1682 O LEU A 108 11.844 2.583 -4.905 1.00 0.00 O ATOM 1683 CB LEU A 108 11.602 2.069 -2.147 1.00 0.00 C ATOM 1684 CG LEU A 108 11.958 1.765 -0.677 1.00 0.00 C ATOM 1685 CD1 LEU A 108 11.601 2.857 0.323 1.00 0.00 C ATOM 1686 CD2 LEU A 108 11.260 0.482 -0.222 1.00 0.00 C ATOM 0 H LEU A 108 9.865 3.995 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 108 12.535 3.992 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.561 1.783 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.207 1.415 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 108 13.044 1.676 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.893 2.542 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.128 3.775 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.526 3.036 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.518 0.276 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.180 0.604 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.584 -0.350 -0.848 1.00 0.00 H new ATOM 1698 N PRO A 109 12.999 4.477 -4.606 1.00 0.00 N ATOM 1699 CA PRO A 109 13.293 4.692 -6.025 1.00 0.00 C ATOM 1700 C PRO A 109 14.258 3.657 -6.628 1.00 0.00 C ATOM 1701 O PRO A 109 14.539 3.704 -7.827 1.00 0.00 O ATOM 1702 CB PRO A 109 13.857 6.116 -6.109 1.00 0.00 C ATOM 1703 CG PRO A 109 14.417 6.384 -4.713 1.00 0.00 C ATOM 1704 CD PRO A 109 13.524 5.556 -3.793 1.00 0.00 C ATOM 0 HA PRO A 109 12.388 4.568 -6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.633 6.192 -6.870 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.082 6.836 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.461 6.080 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.375 7.444 -4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.091 5.166 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.717 6.163 -3.383 1.00 0.00 H new ATOM 1712 N ASP A 110 14.785 2.726 -5.826 1.00 0.00 N ATOM 1713 CA ASP A 110 15.743 1.706 -6.271 1.00 0.00 C ATOM 1714 C ASP A 110 15.193 0.294 -6.154 1.00 0.00 C ATOM 1715 O ASP A 110 15.759 -0.638 -6.718 1.00 0.00 O ATOM 1716 CB ASP A 110 17.043 1.820 -5.470 1.00 0.00 C ATOM 1717 CG ASP A 110 18.264 1.568 -6.360 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.503 2.345 -7.316 1.00 0.00 O ATOM 1719 OD2 ASP A 110 19.056 0.645 -6.085 1.00 0.00 O ATOM 0 H ASP A 110 14.555 2.658 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 110 15.936 1.893 -7.327 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.113 2.812 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 110 17.033 1.102 -4.650 1.00 0.00 H new ATOM 1724 N ALA A 111 14.085 0.133 -5.433 1.00 0.00 N ATOM 1725 CA ALA A 111 13.472 -1.159 -5.182 1.00 0.00 C ATOM 1726 C ALA A 111 12.744 -1.655 -6.427 1.00 0.00 C ATOM 1727 O ALA A 111 12.851 -2.826 -6.784 1.00 0.00 O ATOM 1728 CB ALA A 111 12.508 -0.981 -4.017 1.00 0.00 C ATOM 0 H ALA A 111 13.585 0.911 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 111 14.227 -1.906 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 111 12.025 -1.933 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.057 -0.640 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.751 -0.242 -4.281 1.00 0.00 H new ATOM 1734 N VAL A 112 12.024 -0.749 -7.087 1.00 0.00 N ATOM 1735 CA VAL A 112 11.324 -0.962 -8.335 1.00 0.00 C ATOM 1736 C VAL A 112 12.302 -1.544 -9.383 1.00 0.00 C ATOM 1737 O VAL A 112 13.432 -1.054 -9.503 1.00 0.00 O ATOM 1738 CB VAL A 112 10.645 0.371 -8.720 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.633 1.546 -8.861 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.793 0.263 -9.985 1.00 0.00 C ATOM 0 H VAL A 112 11.913 0.203 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 112 10.531 -1.706 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 112 9.987 0.587 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.087 2.450 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.148 1.704 -7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.363 1.316 -9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.342 1.231 -10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.421 -0.042 -10.822 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.007 -0.477 -9.832 1.00 0.00 H new ATOM 1750 N PRO A 113 11.912 -2.598 -10.124 1.00 0.00 N ATOM 1751 CA PRO A 113 12.733 -3.225 -11.154 1.00 0.00 C ATOM 1752 C PRO A 113 13.341 -2.232 -12.147 1.00 0.00 C ATOM 1753 O PRO A 113 14.529 -2.317 -12.470 1.00 0.00 O ATOM 1754 CB PRO A 113 11.814 -4.226 -11.866 1.00 0.00 C ATOM 1755 CG PRO A 113 10.772 -4.586 -10.811 1.00 0.00 C ATOM 1756 CD PRO A 113 10.670 -3.330 -9.946 1.00 0.00 C ATOM 0 HA PRO A 113 13.596 -3.706 -10.694 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.352 -3.785 -12.749 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.364 -5.106 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.814 -4.836 -11.266 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.081 -5.451 -10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.816 -2.722 -10.246 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.522 -3.593 -8.898 1.00 0.00 H new ATOM 1764 N GLN A 114 12.532 -1.324 -12.686 1.00 0.00 N ATOM 1765 CA GLN A 114 12.958 -0.370 -13.694 1.00 0.00 C ATOM 1766 C GLN A 114 13.669 0.794 -13.006 1.00 0.00 C ATOM 1767 O GLN A 114 13.026 1.724 -12.522 1.00 0.00 O ATOM 1768 CB GLN A 114 11.718 0.041 -14.483 1.00 0.00 C ATOM 1769 CG GLN A 114 12.011 0.821 -15.764 1.00 0.00 C ATOM 1770 CD GLN A 114 10.771 0.780 -16.650 1.00 0.00 C ATOM 1771 OE1 GLN A 114 9.667 1.039 -16.189 1.00 0.00 O ATOM 1772 NE2 GLN A 114 10.898 0.395 -17.909 1.00 0.00 N ATOM 0 H GLN A 114 11.549 -1.233 -12.428 1.00 0.00 H new ATOM 0 HA GLN A 114 13.676 -0.790 -14.398 1.00 0.00 H new ATOM 0 HB2 GLN A 114 11.153 -0.855 -14.740 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.079 0.648 -13.841 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.274 1.852 -15.528 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.864 0.386 -16.286 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.821 0.181 -18.286 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.073 0.312 -18.503 1.00 0.00 H new ATOM 1781 N THR A 115 14.994 0.723 -12.930 1.00 0.00 N ATOM 1782 CA THR A 115 15.829 1.660 -12.196 1.00 0.00 C ATOM 1783 C THR A 115 15.790 3.055 -12.825 1.00 0.00 C ATOM 1784 O THR A 115 15.383 3.995 -12.148 1.00 0.00 O ATOM 1785 CB THR A 115 17.243 1.073 -12.095 1.00 0.00 C ATOM 1786 OG1 THR A 115 17.670 0.558 -13.343 1.00 0.00 O ATOM 1787 CG2 THR A 115 17.266 -0.084 -11.098 1.00 0.00 C ATOM 0 H THR A 115 15.530 -0.011 -13.392 1.00 0.00 H new ATOM 0 HA THR A 115 15.446 1.798 -11.185 1.00 0.00 H new ATOM 0 HB THR A 115 17.903 1.879 -11.774 1.00 0.00 H new ATOM 0 HG1 THR A 115 18.574 0.191 -13.253 1.00 0.00 H new ATOM 0 HG21 THR A 115 18.275 -0.491 -11.036 1.00 0.00 H new ATOM 0 HG22 THR A 115 16.959 0.276 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 115 16.580 -0.864 -11.429 1.00 0.00 H new ATOM 1795 N VAL A 116 16.155 3.182 -14.107 1.00 0.00 N ATOM 1796 CA VAL A 116 16.076 4.388 -14.941 1.00 0.00 C ATOM 1797 C VAL A 116 16.488 5.660 -14.171 1.00 0.00 C ATOM 1798 O VAL A 116 15.671 6.497 -13.786 1.00 0.00 O ATOM 1799 CB VAL A 116 14.732 4.392 -15.716 1.00 0.00 C ATOM 1800 CG1 VAL A 116 13.455 4.562 -14.877 1.00 0.00 C ATOM 1801 CG2 VAL A 116 14.720 5.406 -16.863 1.00 0.00 C ATOM 0 H VAL A 116 16.539 2.391 -14.624 1.00 0.00 H new ATOM 0 HA VAL A 116 16.831 4.380 -15.727 1.00 0.00 H new ATOM 0 HB VAL A 116 14.695 3.375 -16.107 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.584 4.548 -15.533 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.381 3.746 -14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.493 5.512 -14.344 1.00 0.00 H new ATOM 0 HG21 VAL A 116 13.757 5.368 -17.372 1.00 0.00 H new ATOM 0 HG22 VAL A 116 14.880 6.408 -16.465 1.00 0.00 H new ATOM 0 HG23 VAL A 116 15.514 5.165 -17.570 1.00 0.00 H new ATOM 1811 N LYS A 117 17.786 5.773 -13.869 1.00 0.00 N ATOM 1812 CA LYS A 117 18.354 6.907 -13.140 1.00 0.00 C ATOM 1813 C LYS A 117 18.434 8.132 -14.051 1.00 0.00 C ATOM 1814 O LYS A 117 19.140 8.088 -15.066 1.00 0.00 O ATOM 1815 CB LYS A 117 19.738 6.541 -12.569 1.00 0.00 C ATOM 1816 CG LYS A 117 19.692 6.242 -11.064 1.00 0.00 C ATOM 1817 CD LYS A 117 18.897 4.986 -10.673 1.00 0.00 C ATOM 1818 CE LYS A 117 19.733 3.700 -10.607 1.00 0.00 C ATOM 1819 NZ LYS A 117 20.453 3.391 -11.860 1.00 0.00 N ATOM 0 H LYS A 117 18.478 5.070 -14.128 1.00 0.00 H new ATOM 0 HA LYS A 117 17.703 7.152 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.127 5.671 -13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.432 7.362 -12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 117 20.714 6.135 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 117 19.259 7.101 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 117 18.433 5.153 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 117 18.090 4.844 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.456 3.789 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.078 2.864 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.898 2.454 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.782 3.391 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.186 4.110 -12.025 1.00 0.00 H new ATOM 1833 N SER A 118 17.766 9.219 -13.671 1.00 0.00 N ATOM 1834 CA SER A 118 17.815 10.522 -14.322 1.00 0.00 C ATOM 1835 C SER A 118 18.228 11.557 -13.264 1.00 0.00 C ATOM 1836 O SER A 118 17.962 11.365 -12.072 1.00 0.00 O ATOM 1837 CB SER A 118 16.437 10.806 -14.944 1.00 0.00 C ATOM 1838 OG SER A 118 16.553 11.373 -16.235 1.00 0.00 O ATOM 0 H SER A 118 17.146 9.212 -12.861 1.00 0.00 H new ATOM 0 HA SER A 118 18.545 10.562 -15.130 1.00 0.00 H new ATOM 0 HB2 SER A 118 15.866 9.879 -15.003 1.00 0.00 H new ATOM 0 HB3 SER A 118 15.879 11.483 -14.298 1.00 0.00 H new ATOM 0 HG SER A 118 15.659 11.539 -16.601 1.00 0.00 H new ATOM 1844 N LEU A 119 18.877 12.658 -13.655 1.00 0.00 N ATOM 1845 CA LEU A 119 19.355 13.702 -12.743 1.00 0.00 C ATOM 1846 C LEU A 119 19.306 15.029 -13.511 1.00 0.00 C ATOM 1847 O LEU A 119 19.800 15.065 -14.641 1.00 0.00 O ATOM 1848 CB LEU A 119 20.789 13.395 -12.281 1.00 0.00 C ATOM 1849 CG LEU A 119 21.213 14.019 -10.937 1.00 0.00 C ATOM 1850 CD1 LEU A 119 22.257 13.139 -10.236 1.00 0.00 C ATOM 1851 CD2 LEU A 119 21.838 15.408 -11.126 1.00 0.00 C ATOM 0 H LEU A 119 19.089 12.852 -14.634 1.00 0.00 H new ATOM 0 HA LEU A 119 18.731 13.753 -11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 119 20.903 12.313 -12.209 1.00 0.00 H new ATOM 0 HB3 LEU A 119 21.479 13.737 -13.052 1.00 0.00 H new ATOM 0 HG LEU A 119 20.307 14.101 -10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.543 13.598 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.834 12.152 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 119 23.137 13.042 -10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 119 22.123 15.814 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 119 22.722 15.326 -11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 119 21.114 16.072 -11.598 1.00 0.00 H new ATOM 1863 N PRO A 120 18.714 16.095 -12.957 1.00 0.00 N ATOM 1864 CA PRO A 120 18.302 17.277 -13.710 1.00 0.00 C ATOM 1865 C PRO A 120 19.480 18.199 -14.089 1.00 0.00 C ATOM 1866 O PRO A 120 20.518 18.177 -13.413 1.00 0.00 O ATOM 1867 CB PRO A 120 17.300 17.982 -12.788 1.00 0.00 C ATOM 1868 CG PRO A 120 17.758 17.595 -11.383 1.00 0.00 C ATOM 1869 CD PRO A 120 18.304 16.183 -11.572 1.00 0.00 C ATOM 0 HA PRO A 120 17.869 17.003 -14.672 1.00 0.00 H new ATOM 0 HB2 PRO A 120 17.318 19.062 -12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.279 17.652 -12.981 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.522 18.275 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 120 16.933 17.616 -10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 120 19.145 15.997 -10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.543 15.437 -11.342 1.00 0.00 H new ATOM 1877 N PRO A 121 19.324 19.038 -15.133 1.00 0.00 N ATOM 1878 CA PRO A 121 20.341 19.989 -15.579 1.00 0.00 C ATOM 1879 C PRO A 121 20.475 21.177 -14.621 1.00 0.00 C ATOM 1880 O PRO A 121 19.588 21.446 -13.810 1.00 0.00 O ATOM 1881 CB PRO A 121 19.884 20.449 -16.967 1.00 0.00 C ATOM 1882 CG PRO A 121 18.366 20.353 -16.873 1.00 0.00 C ATOM 1883 CD PRO A 121 18.152 19.124 -15.996 1.00 0.00 C ATOM 0 HA PRO A 121 21.328 19.526 -15.606 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.212 21.465 -17.184 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.281 19.810 -17.756 1.00 0.00 H new ATOM 0 HG2 PRO A 121 17.932 21.248 -16.426 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.908 20.233 -17.855 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.240 19.219 -15.407 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.047 18.225 -16.603 1.00 0.00 H new ATOM 1891 N SER A 122 21.571 21.923 -14.760 1.00 0.00 N ATOM 1892 CA SER A 122 21.909 23.108 -13.970 1.00 0.00 C ATOM 1893 C SER A 122 21.482 24.425 -14.637 1.00 0.00 C ATOM 1894 O SER A 122 21.848 25.500 -14.158 1.00 0.00 O ATOM 1895 CB SER A 122 23.421 23.101 -13.666 1.00 0.00 C ATOM 1896 OG SER A 122 24.177 22.299 -14.573 1.00 0.00 O ATOM 0 H SER A 122 22.281 21.708 -15.460 1.00 0.00 H new ATOM 0 HA SER A 122 21.344 23.057 -13.039 1.00 0.00 H new ATOM 0 HB2 SER A 122 23.795 24.124 -13.698 1.00 0.00 H new ATOM 0 HB3 SER A 122 23.579 22.736 -12.651 1.00 0.00 H new ATOM 0 HG SER A 122 24.440 22.840 -15.347 1.00 0.00 H new ATOM 1902 N GLY A 123 20.765 24.366 -15.759 1.00 0.00 N ATOM 1903 CA GLY A 123 20.706 25.459 -16.717 1.00 0.00 C ATOM 1904 C GLY A 123 21.643 25.140 -17.884 1.00 0.00 C ATOM 1905 O GLY A 123 22.062 23.986 -18.025 1.00 0.00 O ATOM 0 H GLY A 123 20.208 23.554 -16.026 1.00 0.00 H new ATOM 0 HA2 GLY A 123 19.686 25.591 -17.077 1.00 0.00 H new ATOM 0 HA3 GLY A 123 21.000 26.395 -16.241 1.00 0.00 H new ATOM 1909 N PRO A 124 21.949 26.115 -18.755 1.00 0.00 N ATOM 1910 CA PRO A 124 22.859 25.929 -19.876 1.00 0.00 C ATOM 1911 C PRO A 124 24.314 25.809 -19.387 1.00 0.00 C ATOM 1912 O PRO A 124 25.057 26.790 -19.373 1.00 0.00 O ATOM 1913 CB PRO A 124 22.613 27.135 -20.792 1.00 0.00 C ATOM 1914 CG PRO A 124 22.192 28.238 -19.819 1.00 0.00 C ATOM 1915 CD PRO A 124 21.434 27.479 -18.729 1.00 0.00 C ATOM 0 HA PRO A 124 22.682 25.001 -20.420 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.511 27.409 -21.346 1.00 0.00 H new ATOM 0 HB3 PRO A 124 21.835 26.929 -21.527 1.00 0.00 H new ATOM 0 HG2 PRO A 124 23.055 28.767 -19.414 1.00 0.00 H new ATOM 0 HG3 PRO A 124 21.560 28.982 -20.304 1.00 0.00 H new ATOM 0 HD2 PRO A 124 21.592 27.937 -17.753 1.00 0.00 H new ATOM 0 HD3 PRO A 124 20.361 27.494 -18.918 1.00 0.00 H new ATOM 1923 N SER A 125 24.722 24.602 -18.991 1.00 0.00 N ATOM 1924 CA SER A 125 26.126 24.246 -18.816 1.00 0.00 C ATOM 1925 C SER A 125 26.877 24.396 -20.152 1.00 0.00 C ATOM 1926 O SER A 125 26.251 24.431 -21.213 1.00 0.00 O ATOM 1927 CB SER A 125 26.210 22.800 -18.311 1.00 0.00 C ATOM 1928 OG SER A 125 25.436 22.603 -17.136 1.00 0.00 O ATOM 0 H SER A 125 24.079 23.839 -18.781 1.00 0.00 H new ATOM 0 HA SER A 125 26.590 24.911 -18.088 1.00 0.00 H new ATOM 0 HB2 SER A 125 25.864 22.122 -19.091 1.00 0.00 H new ATOM 0 HB3 SER A 125 27.250 22.547 -18.107 1.00 0.00 H new ATOM 0 HG SER A 125 25.513 21.670 -16.846 1.00 0.00 H new ATOM 1934 N SER A 126 28.214 24.446 -20.117 1.00 0.00 N ATOM 1935 CA SER A 126 29.019 24.783 -21.293 1.00 0.00 C ATOM 1936 C SER A 126 30.086 23.735 -21.624 1.00 0.00 C ATOM 1937 O SER A 126 30.285 23.450 -22.802 1.00 0.00 O ATOM 1938 CB SER A 126 29.655 26.165 -21.099 1.00 0.00 C ATOM 1939 OG SER A 126 28.734 27.089 -20.541 1.00 0.00 O ATOM 0 H SER A 126 28.763 24.255 -19.279 1.00 0.00 H new ATOM 0 HA SER A 126 28.345 24.799 -22.149 1.00 0.00 H new ATOM 0 HB2 SER A 126 30.524 26.078 -20.447 1.00 0.00 H new ATOM 0 HB3 SER A 126 30.012 26.540 -22.058 1.00 0.00 H new ATOM 0 HG SER A 126 29.171 27.959 -20.429 1.00 0.00 H new ATOM 1945 N GLY A 127 30.764 23.148 -20.632 1.00 0.00 N ATOM 1946 CA GLY A 127 31.842 22.204 -20.869 1.00 0.00 C ATOM 1947 C GLY A 127 32.655 22.046 -19.607 1.00 0.00 C ATOM 1948 O GLY A 127 33.843 21.687 -19.705 1.00 0.00 O ATOM 0 H GLY A 127 30.575 23.319 -19.644 1.00 0.00 H new ATOM 0 HA2 GLY A 127 31.436 21.240 -21.176 1.00 0.00 H new ATOM 0 HA3 GLY A 127 32.477 22.556 -21.682 1.00 0.00 H new TER 1952 GLY A 127