USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 846 hydrogens (14 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 61 ASN : amide:sc= -1.39 K(o=-2.1,f=-4.8!) USER MOD Set 1.2: A 63 SER OG : rot -131:sc= -0.701 USER MOD Set 2.1: A 1 GLY N :NH3+ -142:sc= 0.0564 (180deg=0) USER MOD Set 2.2: A 4 GLN : amide:sc= -0.847 K(o=-0.79,f=-0.064) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.0461 K(o=0.046,f=-8.3!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.761 X(o=-0.76,f=-0.78) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.0524 (180deg=-0.239) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : A 82 MET CE :methyl -150:sc= -0.548 (180deg=-2.69!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00405 X(o=-0.004,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00671) USER MOD Single : A 89 THR OG1 : rot -160:sc= -2.62! USER MOD Single : A 90 LYS NZ :NH3+ 169:sc=-0.00373 (180deg=-0.146) USER MOD Single : A 91 SER OG : rot 113:sc= -0.637 USER MOD Single : A 92 ASN : amide:sc= -2.37 K(o=-2.4,f=-3.8!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.357 K(o=-0.36,f=0.22) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.083 -0.769 -0.056 1.00 3.31 N ATOM 2 CA GLY A 1 1.154 -0.998 -1.008 1.00 22.13 C ATOM 3 C GLY A 1 2.322 -1.747 -0.396 1.00 54.43 C ATOM 4 O GLY A 1 2.194 -2.344 0.673 1.00 2.12 O ATOM 0 H1 GLY A 1 -0.835 -0.876 -0.533 1.00 3.31 H new ATOM 0 H2 GLY A 1 0.153 -1.460 0.718 1.00 3.31 H new ATOM 0 H3 GLY A 1 0.162 0.193 0.330 1.00 3.31 H new ATOM 0 HA2 GLY A 1 0.768 -1.563 -1.856 1.00 22.13 H new ATOM 0 HA3 GLY A 1 1.503 -0.041 -1.395 1.00 22.13 H new ATOM 8 N SER A 2 3.463 -1.716 -1.076 1.00 65.30 N ATOM 9 CA SER A 2 4.658 -2.402 -0.596 1.00 51.44 C ATOM 10 C SER A 2 4.420 -3.906 -0.501 1.00 21.32 C ATOM 11 O SER A 2 4.035 -4.419 0.549 1.00 72.11 O ATOM 12 CB SER A 2 5.073 -1.852 0.770 1.00 10.04 C ATOM 13 OG SER A 2 6.429 -2.152 1.050 1.00 12.53 O ATOM 0 H SER A 2 3.586 -1.224 -1.961 1.00 65.30 H new ATOM 0 HA SER A 2 5.461 -2.224 -1.311 1.00 51.44 H new ATOM 0 HB2 SER A 2 4.924 -0.772 0.791 1.00 10.04 H new ATOM 0 HB3 SER A 2 4.436 -2.277 1.545 1.00 10.04 H new ATOM 0 HG SER A 2 6.670 -1.789 1.928 1.00 12.53 H new ATOM 19 N ALA A 3 4.651 -4.606 -1.606 1.00 43.13 N ATOM 20 CA ALA A 3 4.465 -6.051 -1.648 1.00 35.33 C ATOM 21 C ALA A 3 3.073 -6.439 -1.161 1.00 51.13 C ATOM 22 O ALA A 3 2.916 -6.976 -0.065 1.00 72.22 O ATOM 23 CB ALA A 3 5.530 -6.746 -0.813 1.00 2.24 C ATOM 0 H ALA A 3 4.967 -4.196 -2.485 1.00 43.13 H new ATOM 0 HA ALA A 3 4.563 -6.375 -2.684 1.00 35.33 H new ATOM 0 HB1 ALA A 3 5.378 -7.825 -0.854 1.00 2.24 H new ATOM 0 HB2 ALA A 3 6.517 -6.503 -1.207 1.00 2.24 H new ATOM 0 HB3 ALA A 3 5.459 -6.409 0.221 1.00 2.24 H new ATOM 29 N GLN A 4 2.065 -6.163 -1.984 1.00 61.11 N ATOM 30 CA GLN A 4 0.686 -6.482 -1.635 1.00 71.21 C ATOM 31 C GLN A 4 0.291 -7.852 -2.177 1.00 3.32 C ATOM 32 O GLN A 4 0.539 -8.165 -3.340 1.00 74.34 O ATOM 33 CB GLN A 4 -0.261 -5.412 -2.182 1.00 32.01 C ATOM 34 CG GLN A 4 -1.587 -5.340 -1.443 1.00 14.44 C ATOM 35 CD GLN A 4 -2.532 -4.315 -2.039 1.00 52.40 C ATOM 36 OE1 GLN A 4 -2.312 -3.109 -1.922 1.00 43.11 O ATOM 37 NE2 GLN A 4 -3.592 -4.790 -2.683 1.00 2.43 N ATOM 0 H GLN A 4 2.178 -5.720 -2.896 1.00 61.11 H new ATOM 0 HA GLN A 4 0.608 -6.505 -0.548 1.00 71.21 H new ATOM 0 HB2 GLN A 4 0.230 -4.441 -2.126 1.00 32.01 H new ATOM 0 HB3 GLN A 4 -0.452 -5.612 -3.236 1.00 32.01 H new ATOM 0 HG2 GLN A 4 -2.062 -6.321 -1.461 1.00 14.44 H new ATOM 0 HG3 GLN A 4 -1.403 -5.094 -0.397 1.00 14.44 H new ATOM 0 HE21 GLN A 4 -3.735 -5.797 -2.756 1.00 2.43 H new ATOM 0 HE22 GLN A 4 -4.263 -4.148 -3.105 1.00 2.43 H new ATOM 46 N ASN A 5 -0.325 -8.664 -1.324 1.00 22.22 N ATOM 47 CA ASN A 5 -0.753 -10.002 -1.717 1.00 32.04 C ATOM 48 C ASN A 5 -2.115 -9.957 -2.403 1.00 33.42 C ATOM 49 O ASN A 5 -3.101 -9.509 -1.817 1.00 55.41 O ATOM 50 CB ASN A 5 -0.815 -10.920 -0.494 1.00 75.21 C ATOM 51 CG ASN A 5 0.024 -12.171 -0.668 1.00 32.34 C ATOM 52 OD1 ASN A 5 1.021 -12.168 -1.390 1.00 53.22 O ATOM 53 ND2 ASN A 5 -0.376 -13.248 -0.003 1.00 32.43 N ATOM 0 H ASN A 5 -0.539 -8.419 -0.357 1.00 22.22 H new ATOM 0 HA ASN A 5 -0.023 -10.398 -2.423 1.00 32.04 H new ATOM 0 HB2 ASN A 5 -0.471 -10.374 0.385 1.00 75.21 H new ATOM 0 HB3 ASN A 5 -1.851 -11.203 -0.308 1.00 75.21 H new ATOM 0 HD21 ASN A 5 0.150 -14.119 -0.079 1.00 32.43 H new ATOM 0 HD22 ASN A 5 -1.209 -13.205 0.584 1.00 32.43 H new ATOM 60 N ILE A 6 -2.161 -10.425 -3.645 1.00 74.40 N ATOM 61 CA ILE A 6 -3.402 -10.440 -4.410 1.00 74.42 C ATOM 62 C ILE A 6 -3.698 -11.835 -4.951 1.00 21.12 C ATOM 63 O ILE A 6 -2.865 -12.443 -5.623 1.00 52.13 O ATOM 64 CB ILE A 6 -3.352 -9.447 -5.585 1.00 41.32 C ATOM 65 CG1 ILE A 6 -3.497 -8.012 -5.074 1.00 54.24 C ATOM 66 CG2 ILE A 6 -4.441 -9.767 -6.598 1.00 62.24 C ATOM 67 CD1 ILE A 6 -2.254 -7.484 -4.393 1.00 31.21 C ATOM 0 H ILE A 6 -1.354 -10.799 -4.143 1.00 74.40 H new ATOM 0 HA ILE A 6 -4.197 -10.141 -3.726 1.00 74.42 H new ATOM 0 HB ILE A 6 -2.385 -9.541 -6.080 1.00 41.32 H new ATOM 0 HG12 ILE A 6 -3.747 -7.360 -5.911 1.00 54.24 H new ATOM 0 HG13 ILE A 6 -4.332 -7.967 -4.374 1.00 54.24 H new ATOM 0 HG21 ILE A 6 -4.392 -9.055 -7.422 1.00 62.24 H new ATOM 0 HG22 ILE A 6 -4.296 -10.777 -6.981 1.00 62.24 H new ATOM 0 HG23 ILE A 6 -5.417 -9.698 -6.117 1.00 62.24 H new ATOM 0 HD11 ILE A 6 -2.430 -6.462 -4.057 1.00 31.21 H new ATOM 0 HD12 ILE A 6 -2.014 -8.112 -3.535 1.00 31.21 H new ATOM 0 HD13 ILE A 6 -1.421 -7.497 -5.096 1.00 31.21 H new ATOM 79 N THR A 7 -4.893 -12.338 -4.654 1.00 73.43 N ATOM 80 CA THR A 7 -5.300 -13.660 -5.111 1.00 71.32 C ATOM 81 C THR A 7 -6.068 -13.577 -6.426 1.00 1.44 C ATOM 82 O THR A 7 -6.857 -12.656 -6.636 1.00 31.25 O ATOM 83 CB THR A 7 -6.176 -14.371 -4.062 1.00 72.55 C ATOM 84 OG1 THR A 7 -7.111 -13.447 -3.496 1.00 52.43 O ATOM 85 CG2 THR A 7 -5.319 -14.974 -2.959 1.00 64.05 C ATOM 0 H THR A 7 -5.595 -11.849 -4.099 1.00 73.43 H new ATOM 0 HA THR A 7 -4.387 -14.236 -5.263 1.00 71.32 H new ATOM 0 HB THR A 7 -6.718 -15.175 -4.559 1.00 72.55 H new ATOM 0 HG1 THR A 7 -7.665 -13.908 -2.832 1.00 52.43 H new ATOM 0 HG21 THR A 7 -5.960 -15.470 -2.230 1.00 64.05 H new ATOM 0 HG22 THR A 7 -4.629 -15.700 -3.390 1.00 64.05 H new ATOM 0 HG23 THR A 7 -4.753 -14.184 -2.465 1.00 64.05 H new ATOM 93 N ALA A 8 -5.832 -14.543 -7.306 1.00 40.13 N ATOM 94 CA ALA A 8 -6.504 -14.579 -8.599 1.00 62.24 C ATOM 95 C ALA A 8 -6.717 -16.015 -9.067 1.00 21.13 C ATOM 96 O ALA A 8 -6.158 -16.953 -8.497 1.00 73.22 O ATOM 97 CB ALA A 8 -5.704 -13.798 -9.631 1.00 64.45 C ATOM 0 H ALA A 8 -5.180 -15.312 -7.148 1.00 40.13 H new ATOM 0 HA ALA A 8 -7.483 -14.113 -8.486 1.00 62.24 H new ATOM 0 HB1 ALA A 8 -6.217 -13.833 -10.592 1.00 64.45 H new ATOM 0 HB2 ALA A 8 -5.608 -12.761 -9.309 1.00 64.45 H new ATOM 0 HB3 ALA A 8 -4.713 -14.239 -9.733 1.00 64.45 H new ATOM 103 N ARG A 9 -7.528 -16.179 -10.106 1.00 54.14 N ATOM 104 CA ARG A 9 -7.816 -17.501 -10.649 1.00 73.13 C ATOM 105 C ARG A 9 -7.479 -17.563 -12.137 1.00 62.42 C ATOM 106 O ARG A 9 -7.596 -16.568 -12.852 1.00 33.30 O ATOM 107 CB ARG A 9 -9.289 -17.854 -10.435 1.00 21.24 C ATOM 108 CG ARG A 9 -9.530 -18.760 -9.238 1.00 14.41 C ATOM 109 CD ARG A 9 -9.946 -17.963 -8.011 1.00 51.21 C ATOM 110 NE ARG A 9 -10.546 -18.811 -6.985 1.00 42.04 N ATOM 111 CZ ARG A 9 -9.847 -19.630 -6.208 1.00 62.45 C ATOM 112 NH1 ARG A 9 -8.530 -19.712 -6.341 1.00 25.55 N ATOM 113 NH2 ARG A 9 -10.465 -20.371 -5.297 1.00 65.24 N ATOM 0 H ARG A 9 -7.998 -15.413 -10.589 1.00 54.14 H new ATOM 0 HA ARG A 9 -7.195 -18.225 -10.122 1.00 73.13 H new ATOM 0 HB2 ARG A 9 -9.859 -16.934 -10.305 1.00 21.24 H new ATOM 0 HB3 ARG A 9 -9.671 -18.341 -11.332 1.00 21.24 H new ATOM 0 HG2 ARG A 9 -10.305 -19.487 -9.481 1.00 14.41 H new ATOM 0 HG3 ARG A 9 -8.623 -19.323 -9.018 1.00 14.41 H new ATOM 0 HD2 ARG A 9 -9.075 -17.454 -7.597 1.00 51.21 H new ATOM 0 HD3 ARG A 9 -10.657 -17.191 -8.304 1.00 51.21 H new ATOM 0 HE ARG A 9 -11.557 -18.772 -6.858 1.00 42.04 H new ATOM 0 HH11 ARG A 9 -8.052 -19.145 -7.041 1.00 25.55 H new ATOM 0 HH12 ARG A 9 -7.995 -20.342 -5.743 1.00 25.55 H new ATOM 0 HH21 ARG A 9 -11.478 -20.312 -5.193 1.00 65.24 H new ATOM 0 HH22 ARG A 9 -9.927 -21.000 -4.701 1.00 65.24 H new ATOM 127 N ILE A 10 -7.060 -18.739 -12.594 1.00 30.10 N ATOM 128 CA ILE A 10 -6.706 -18.930 -13.995 1.00 32.40 C ATOM 129 C ILE A 10 -7.850 -18.512 -14.913 1.00 61.22 C ATOM 130 O ILE A 10 -8.962 -19.029 -14.812 1.00 65.42 O ATOM 131 CB ILE A 10 -6.339 -20.398 -14.287 1.00 4.32 C ATOM 132 CG1 ILE A 10 -5.151 -20.830 -13.425 1.00 0.23 C ATOM 133 CG2 ILE A 10 -6.021 -20.580 -15.764 1.00 14.04 C ATOM 134 CD1 ILE A 10 -5.088 -22.322 -13.187 1.00 61.14 C ATOM 0 H ILE A 10 -6.958 -19.572 -12.015 1.00 30.10 H new ATOM 0 HA ILE A 10 -5.838 -18.300 -14.190 1.00 32.40 H new ATOM 0 HB ILE A 10 -7.193 -21.028 -14.038 1.00 4.32 H new ATOM 0 HG12 ILE A 10 -4.227 -20.508 -13.906 1.00 0.23 H new ATOM 0 HG13 ILE A 10 -5.205 -20.319 -12.464 1.00 0.23 H new ATOM 0 HG21 ILE A 10 -5.764 -21.622 -15.955 1.00 14.04 H new ATOM 0 HG22 ILE A 10 -6.892 -20.306 -16.360 1.00 14.04 H new ATOM 0 HG23 ILE A 10 -5.180 -19.943 -16.036 1.00 14.04 H new ATOM 0 HD11 ILE A 10 -4.221 -22.556 -12.569 1.00 61.14 H new ATOM 0 HD12 ILE A 10 -5.995 -22.648 -12.678 1.00 61.14 H new ATOM 0 HD13 ILE A 10 -5.002 -22.840 -14.142 1.00 61.14 H new ATOM 146 N GLY A 11 -7.568 -17.572 -15.810 1.00 74.21 N ATOM 147 CA GLY A 11 -8.582 -17.102 -16.734 1.00 52.31 C ATOM 148 C GLY A 11 -9.403 -15.961 -16.164 1.00 1.13 C ATOM 149 O GLY A 11 -10.353 -15.496 -16.793 1.00 60.25 O ATOM 0 H GLY A 11 -6.655 -17.128 -15.913 1.00 74.21 H new ATOM 0 HA2 GLY A 11 -8.104 -16.775 -17.658 1.00 52.31 H new ATOM 0 HA3 GLY A 11 -9.244 -17.928 -16.993 1.00 52.31 H new ATOM 153 N GLU A 12 -9.035 -15.511 -14.969 1.00 12.14 N ATOM 154 CA GLU A 12 -9.747 -14.420 -14.313 1.00 1.51 C ATOM 155 C GLU A 12 -8.987 -13.106 -14.466 1.00 1.32 C ATOM 156 O GLU A 12 -7.760 -13.053 -14.367 1.00 72.34 O ATOM 157 CB GLU A 12 -9.952 -14.733 -12.829 1.00 31.20 C ATOM 158 CG GLU A 12 -10.739 -16.010 -12.580 1.00 43.33 C ATOM 159 CD GLU A 12 -11.941 -16.142 -13.494 1.00 52.20 C ATOM 160 OE1 GLU A 12 -13.027 -15.653 -13.118 1.00 42.43 O ATOM 161 OE2 GLU A 12 -11.796 -16.733 -14.584 1.00 55.22 O ATOM 0 H GLU A 12 -8.249 -15.884 -14.436 1.00 12.14 H new ATOM 0 HA GLU A 12 -10.720 -14.316 -14.792 1.00 1.51 H new ATOM 0 HB2 GLU A 12 -8.978 -14.816 -12.346 1.00 31.20 H new ATOM 0 HB3 GLU A 12 -10.471 -13.898 -12.358 1.00 31.20 H new ATOM 0 HG2 GLU A 12 -10.084 -16.870 -12.721 1.00 43.33 H new ATOM 0 HG3 GLU A 12 -11.072 -16.030 -11.542 1.00 43.33 H new ATOM 168 N PRO A 13 -9.731 -12.017 -14.712 1.00 21.11 N ATOM 169 CA PRO A 13 -9.150 -10.683 -14.883 1.00 43.42 C ATOM 170 C PRO A 13 -8.587 -10.123 -13.582 1.00 22.44 C ATOM 171 O PRO A 13 -9.153 -10.334 -12.508 1.00 3.11 O ATOM 172 CB PRO A 13 -10.333 -9.838 -15.361 1.00 32.54 C ATOM 173 CG PRO A 13 -11.536 -10.540 -14.832 1.00 72.44 C ATOM 174 CD PRO A 13 -11.198 -12.005 -14.841 1.00 61.41 C ATOM 0 HA PRO A 13 -8.308 -10.692 -15.575 1.00 43.42 H new ATOM 0 HB2 PRO A 13 -10.270 -8.818 -14.981 1.00 32.54 H new ATOM 0 HB3 PRO A 13 -10.359 -9.772 -16.449 1.00 32.54 H new ATOM 0 HG2 PRO A 13 -11.774 -10.201 -13.824 1.00 72.44 H new ATOM 0 HG3 PRO A 13 -12.410 -10.337 -15.451 1.00 72.44 H new ATOM 0 HD2 PRO A 13 -11.678 -12.533 -14.017 1.00 61.41 H new ATOM 0 HD3 PRO A 13 -11.524 -12.487 -15.762 1.00 61.41 H new ATOM 182 N LEU A 14 -7.471 -9.410 -13.682 1.00 64.23 N ATOM 183 CA LEU A 14 -6.831 -8.819 -12.511 1.00 75.34 C ATOM 184 C LEU A 14 -6.213 -7.468 -12.853 1.00 51.20 C ATOM 185 O LEU A 14 -5.643 -7.288 -13.929 1.00 42.31 O ATOM 186 CB LEU A 14 -5.757 -9.761 -11.963 1.00 40.35 C ATOM 187 CG LEU A 14 -5.216 -9.424 -10.573 1.00 62.25 C ATOM 188 CD1 LEU A 14 -6.255 -9.735 -9.507 1.00 43.24 C ATOM 189 CD2 LEU A 14 -3.928 -10.188 -10.304 1.00 44.31 C ATOM 0 H LEU A 14 -6.990 -9.227 -14.562 1.00 64.23 H new ATOM 0 HA LEU A 14 -7.594 -8.666 -11.748 1.00 75.34 H new ATOM 0 HB2 LEU A 14 -6.167 -10.771 -11.937 1.00 40.35 H new ATOM 0 HB3 LEU A 14 -4.922 -9.774 -12.663 1.00 40.35 H new ATOM 0 HG LEU A 14 -4.997 -8.357 -10.537 1.00 62.25 H new ATOM 0 HD11 LEU A 14 -5.853 -9.489 -8.524 1.00 43.24 H new ATOM 0 HD12 LEU A 14 -7.152 -9.144 -9.690 1.00 43.24 H new ATOM 0 HD13 LEU A 14 -6.506 -10.795 -9.542 1.00 43.24 H new ATOM 0 HD21 LEU A 14 -3.556 -9.937 -9.311 1.00 44.31 H new ATOM 0 HD22 LEU A 14 -4.122 -11.259 -10.358 1.00 44.31 H new ATOM 0 HD23 LEU A 14 -3.181 -9.916 -11.050 1.00 44.31 H new ATOM 201 N VAL A 15 -6.328 -6.520 -11.928 1.00 4.10 N ATOM 202 CA VAL A 15 -5.777 -5.185 -12.130 1.00 10.33 C ATOM 203 C VAL A 15 -4.800 -4.819 -11.017 1.00 32.33 C ATOM 204 O VAL A 15 -4.954 -5.252 -9.874 1.00 31.30 O ATOM 205 CB VAL A 15 -6.891 -4.122 -12.189 1.00 42.41 C ATOM 206 CG1 VAL A 15 -6.308 -2.756 -12.518 1.00 2.32 C ATOM 207 CG2 VAL A 15 -7.951 -4.518 -13.207 1.00 4.41 C ATOM 0 H VAL A 15 -6.797 -6.652 -11.032 1.00 4.10 H new ATOM 0 HA VAL A 15 -5.248 -5.201 -13.083 1.00 10.33 H new ATOM 0 HB VAL A 15 -7.365 -4.062 -11.209 1.00 42.41 H new ATOM 0 HG11 VAL A 15 -7.109 -2.018 -12.556 1.00 2.32 H new ATOM 0 HG12 VAL A 15 -5.589 -2.472 -11.749 1.00 2.32 H new ATOM 0 HG13 VAL A 15 -5.807 -2.797 -13.485 1.00 2.32 H new ATOM 0 HG21 VAL A 15 -8.730 -3.756 -13.236 1.00 4.41 H new ATOM 0 HG22 VAL A 15 -7.494 -4.607 -14.192 1.00 4.41 H new ATOM 0 HG23 VAL A 15 -8.389 -5.475 -12.923 1.00 4.41 H new ATOM 217 N LEU A 16 -3.795 -4.021 -11.359 1.00 12.22 N ATOM 218 CA LEU A 16 -2.792 -3.597 -10.389 1.00 3.53 C ATOM 219 C LEU A 16 -2.571 -2.088 -10.459 1.00 62.41 C ATOM 220 O LEU A 16 -2.698 -1.479 -11.521 1.00 72.53 O ATOM 221 CB LEU A 16 -1.472 -4.329 -10.637 1.00 1.25 C ATOM 222 CG LEU A 16 -1.493 -5.842 -10.421 1.00 30.33 C ATOM 223 CD1 LEU A 16 -0.259 -6.486 -11.033 1.00 33.22 C ATOM 224 CD2 LEU A 16 -1.587 -6.168 -8.937 1.00 13.12 C ATOM 0 H LEU A 16 -3.653 -3.655 -12.300 1.00 12.22 H new ATOM 0 HA LEU A 16 -3.157 -3.847 -9.393 1.00 3.53 H new ATOM 0 HB2 LEU A 16 -1.158 -4.133 -11.662 1.00 1.25 H new ATOM 0 HB3 LEU A 16 -0.713 -3.899 -9.983 1.00 1.25 H new ATOM 0 HG LEU A 16 -2.374 -6.248 -10.918 1.00 30.33 H new ATOM 0 HD11 LEU A 16 -0.292 -7.563 -10.869 1.00 33.22 H new ATOM 0 HD12 LEU A 16 -0.235 -6.282 -12.104 1.00 33.22 H new ATOM 0 HD13 LEU A 16 0.636 -6.075 -10.566 1.00 33.22 H new ATOM 0 HD21 LEU A 16 -1.601 -7.250 -8.802 1.00 13.12 H new ATOM 0 HD22 LEU A 16 -0.726 -5.748 -8.417 1.00 13.12 H new ATOM 0 HD23 LEU A 16 -2.502 -5.740 -8.528 1.00 13.12 H new ATOM 236 N LYS A 17 -2.238 -1.492 -9.320 1.00 11.53 N ATOM 237 CA LYS A 17 -1.995 -0.055 -9.250 1.00 2.01 C ATOM 238 C LYS A 17 -0.508 0.237 -9.080 1.00 11.50 C ATOM 239 O LYS A 17 0.226 -0.550 -8.482 1.00 71.52 O ATOM 240 CB LYS A 17 -2.783 0.560 -8.092 1.00 12.10 C ATOM 241 CG LYS A 17 -2.653 2.071 -8.003 1.00 4.51 C ATOM 242 CD LYS A 17 -3.779 2.681 -7.185 1.00 1.00 C ATOM 243 CE LYS A 17 -5.091 2.674 -7.953 1.00 52.52 C ATOM 244 NZ LYS A 17 -6.015 3.744 -7.482 1.00 62.25 N ATOM 0 H LYS A 17 -2.130 -1.981 -8.432 1.00 11.53 H new ATOM 0 HA LYS A 17 -2.330 0.392 -10.186 1.00 2.01 H new ATOM 0 HB2 LYS A 17 -3.836 0.300 -8.201 1.00 12.10 H new ATOM 0 HB3 LYS A 17 -2.441 0.118 -7.156 1.00 12.10 H new ATOM 0 HG2 LYS A 17 -1.694 2.329 -7.553 1.00 4.51 H new ATOM 0 HG3 LYS A 17 -2.659 2.497 -9.006 1.00 4.51 H new ATOM 0 HD2 LYS A 17 -3.897 2.125 -6.255 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -3.520 3.704 -6.914 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -4.890 2.809 -9.016 1.00 52.52 H new ATOM 0 HE3 LYS A 17 -5.573 1.703 -7.840 1.00 52.52 H new ATOM 0 HZ1 LYS A 17 -6.898 3.706 -8.030 1.00 62.25 H new ATOM 0 HZ2 LYS A 17 -6.227 3.601 -6.474 1.00 62.25 H new ATOM 0 HZ3 LYS A 17 -5.566 4.673 -7.613 1.00 62.25 H new ATOM 258 N CYS A 18 -0.069 1.375 -9.607 1.00 53.13 N ATOM 259 CA CYS A 18 1.330 1.774 -9.514 1.00 31.42 C ATOM 260 C CYS A 18 1.487 3.002 -8.622 1.00 25.14 C ATOM 261 O CYS A 18 1.222 4.128 -9.044 1.00 24.53 O ATOM 262 CB CYS A 18 1.894 2.065 -10.906 1.00 32.43 C ATOM 263 SG CYS A 18 3.600 2.704 -10.897 1.00 54.45 S ATOM 0 H CYS A 18 -0.664 2.038 -10.104 1.00 53.13 H new ATOM 0 HA CYS A 18 1.888 0.950 -9.069 1.00 31.42 H new ATOM 0 HB2 CYS A 18 1.863 1.150 -11.498 1.00 32.43 H new ATOM 0 HB3 CYS A 18 1.249 2.789 -11.404 1.00 32.43 H new ATOM 268 N LYS A 19 1.922 2.777 -7.386 1.00 54.33 N ATOM 269 CA LYS A 19 2.116 3.863 -6.433 1.00 53.13 C ATOM 270 C LYS A 19 3.017 4.946 -7.020 1.00 21.30 C ATOM 271 O LYS A 19 4.240 4.817 -7.019 1.00 42.30 O ATOM 272 CB LYS A 19 2.725 3.328 -5.135 1.00 73.31 C ATOM 273 CG LYS A 19 2.011 2.103 -4.590 1.00 12.21 C ATOM 274 CD LYS A 19 0.518 2.346 -4.443 1.00 71.12 C ATOM 275 CE LYS A 19 0.232 3.494 -3.487 1.00 34.22 C ATOM 276 NZ LYS A 19 -1.183 3.490 -3.023 1.00 73.50 N ATOM 0 H LYS A 19 2.147 1.851 -7.021 1.00 54.33 H new ATOM 0 HA LYS A 19 1.142 4.301 -6.216 1.00 53.13 H new ATOM 0 HB2 LYS A 19 3.772 3.081 -5.309 1.00 73.31 H new ATOM 0 HB3 LYS A 19 2.705 4.116 -4.382 1.00 73.31 H new ATOM 0 HG2 LYS A 19 2.179 1.257 -5.256 1.00 12.21 H new ATOM 0 HG3 LYS A 19 2.434 1.835 -3.622 1.00 12.21 H new ATOM 0 HD2 LYS A 19 0.086 2.568 -5.419 1.00 71.12 H new ATOM 0 HD3 LYS A 19 0.035 1.439 -4.079 1.00 71.12 H new ATOM 0 HE2 LYS A 19 0.897 3.424 -2.626 1.00 34.22 H new ATOM 0 HE3 LYS A 19 0.449 4.441 -3.981 1.00 34.22 H new ATOM 0 HZ1 LYS A 19 -1.338 4.287 -2.373 1.00 73.50 H new ATOM 0 HZ2 LYS A 19 -1.817 3.583 -3.842 1.00 73.50 H new ATOM 0 HZ3 LYS A 19 -1.384 2.597 -2.529 1.00 73.50 H new ATOM 290 N GLY A 20 2.402 6.014 -7.520 1.00 30.40 N ATOM 291 CA GLY A 20 3.164 7.104 -8.102 1.00 23.35 C ATOM 292 C GLY A 20 2.419 7.796 -9.226 1.00 60.04 C ATOM 293 O GLY A 20 2.358 9.025 -9.275 1.00 32.41 O ATOM 0 H GLY A 20 1.390 6.144 -7.532 1.00 30.40 H new ATOM 0 HA2 GLY A 20 3.402 7.832 -7.326 1.00 23.35 H new ATOM 0 HA3 GLY A 20 4.111 6.720 -8.480 1.00 23.35 H new ATOM 297 N ALA A 21 1.854 7.007 -10.133 1.00 3.10 N ATOM 298 CA ALA A 21 1.110 7.551 -11.262 1.00 42.42 C ATOM 299 C ALA A 21 -0.384 7.600 -10.964 1.00 32.42 C ATOM 300 O ALA A 21 -1.083 6.587 -11.003 1.00 55.01 O ATOM 301 CB ALA A 21 1.374 6.728 -12.514 1.00 74.31 C ATOM 0 H ALA A 21 1.897 5.988 -10.108 1.00 3.10 H new ATOM 0 HA ALA A 21 1.453 8.572 -11.432 1.00 42.42 H new ATOM 0 HB1 ALA A 21 0.812 7.146 -13.349 1.00 74.31 H new ATOM 0 HB2 ALA A 21 2.439 6.750 -12.746 1.00 74.31 H new ATOM 0 HB3 ALA A 21 1.061 5.698 -12.345 1.00 74.31 H new ATOM 307 N PRO A 22 -0.888 8.804 -10.655 1.00 75.41 N ATOM 308 CA PRO A 22 -2.305 9.013 -10.342 1.00 72.34 C ATOM 309 C PRO A 22 -3.199 8.843 -11.567 1.00 11.15 C ATOM 310 O PRO A 22 -2.785 8.275 -12.577 1.00 3.21 O ATOM 311 CB PRO A 22 -2.349 10.459 -9.845 1.00 32.00 C ATOM 312 CG PRO A 22 -1.173 11.116 -10.482 1.00 54.24 C ATOM 313 CD PRO A 22 -0.114 10.054 -10.588 1.00 44.40 C ATOM 0 HA PRO A 22 -2.674 8.288 -9.617 1.00 72.34 H new ATOM 0 HB2 PRO A 22 -3.280 10.948 -10.133 1.00 32.00 H new ATOM 0 HB3 PRO A 22 -2.287 10.506 -8.758 1.00 32.00 H new ATOM 0 HG2 PRO A 22 -1.431 11.510 -11.465 1.00 54.24 H new ATOM 0 HG3 PRO A 22 -0.824 11.957 -9.883 1.00 54.24 H new ATOM 0 HD2 PRO A 22 0.505 10.191 -11.475 1.00 44.40 H new ATOM 0 HD3 PRO A 22 0.555 10.067 -9.727 1.00 44.40 H new ATOM 321 N LYS A 23 -4.428 9.339 -11.469 1.00 4.20 N ATOM 322 CA LYS A 23 -5.382 9.245 -12.567 1.00 64.22 C ATOM 323 C LYS A 23 -4.858 9.966 -13.805 1.00 60.44 C ATOM 324 O LYS A 23 -5.424 9.846 -14.892 1.00 34.32 O ATOM 325 CB LYS A 23 -6.731 9.835 -12.152 1.00 3.10 C ATOM 326 CG LYS A 23 -6.654 11.296 -11.742 1.00 0.32 C ATOM 327 CD LYS A 23 -6.743 11.458 -10.233 1.00 53.15 C ATOM 328 CE LYS A 23 -7.302 12.820 -9.851 1.00 62.34 C ATOM 329 NZ LYS A 23 -8.790 12.820 -9.820 1.00 34.12 N ATOM 0 H LYS A 23 -4.787 9.811 -10.639 1.00 4.20 H new ATOM 0 HA LYS A 23 -5.515 8.191 -12.810 1.00 64.22 H new ATOM 0 HB2 LYS A 23 -7.432 9.735 -12.980 1.00 3.10 H new ATOM 0 HB3 LYS A 23 -7.133 9.254 -11.322 1.00 3.10 H new ATOM 0 HG2 LYS A 23 -5.719 11.727 -12.100 1.00 0.32 H new ATOM 0 HG3 LYS A 23 -7.463 11.851 -12.217 1.00 0.32 H new ATOM 0 HD2 LYS A 23 -7.377 10.674 -9.819 1.00 53.15 H new ATOM 0 HD3 LYS A 23 -5.753 11.333 -9.794 1.00 53.15 H new ATOM 0 HE2 LYS A 23 -6.918 13.108 -8.872 1.00 62.34 H new ATOM 0 HE3 LYS A 23 -6.954 13.568 -10.563 1.00 62.34 H new ATOM 0 HZ1 LYS A 23 -9.132 13.766 -9.556 1.00 34.12 H new ATOM 0 HZ2 LYS A 23 -9.157 12.570 -10.760 1.00 34.12 H new ATOM 0 HZ3 LYS A 23 -9.123 12.124 -9.122 1.00 34.12 H new ATOM 343 N LYS A 24 -3.774 10.714 -13.634 1.00 11.33 N ATOM 344 CA LYS A 24 -3.172 11.453 -14.738 1.00 1.35 C ATOM 345 C LYS A 24 -3.059 10.578 -15.981 1.00 74.54 C ATOM 346 O LYS A 24 -3.234 9.360 -15.931 1.00 70.53 O ATOM 347 CB LYS A 24 -1.788 11.970 -14.338 1.00 20.34 C ATOM 348 CG LYS A 24 -1.767 13.449 -13.994 1.00 22.34 C ATOM 349 CD LYS A 24 -2.593 13.745 -12.754 1.00 54.21 C ATOM 350 CE LYS A 24 -1.822 14.601 -11.761 1.00 51.40 C ATOM 351 NZ LYS A 24 -2.733 15.364 -10.863 1.00 1.22 N ATOM 0 H LYS A 24 -3.294 10.825 -12.741 1.00 11.33 H new ATOM 0 HA LYS A 24 -3.817 12.301 -14.969 1.00 1.35 H new ATOM 0 HB2 LYS A 24 -1.431 11.401 -13.480 1.00 20.34 H new ATOM 0 HB3 LYS A 24 -1.090 11.786 -15.155 1.00 20.34 H new ATOM 0 HG2 LYS A 24 -0.738 13.771 -13.832 1.00 22.34 H new ATOM 0 HG3 LYS A 24 -2.153 14.025 -14.835 1.00 22.34 H new ATOM 0 HD2 LYS A 24 -3.511 14.257 -13.041 1.00 54.21 H new ATOM 0 HD3 LYS A 24 -2.886 12.809 -12.279 1.00 54.21 H new ATOM 0 HE2 LYS A 24 -1.170 13.965 -11.162 1.00 51.40 H new ATOM 0 HE3 LYS A 24 -1.180 15.296 -12.302 1.00 51.40 H new ATOM 0 HZ1 LYS A 24 -2.170 15.935 -10.201 1.00 1.22 H new ATOM 0 HZ2 LYS A 24 -3.338 15.990 -11.432 1.00 1.22 H new ATOM 0 HZ3 LYS A 24 -3.329 14.700 -10.328 1.00 1.22 H new ATOM 365 N PRO A 25 -2.759 11.210 -17.126 1.00 64.04 N ATOM 366 CA PRO A 25 -2.614 10.506 -18.404 1.00 2.45 C ATOM 367 C PRO A 25 -1.366 9.631 -18.446 1.00 12.43 C ATOM 368 O PRO A 25 -0.527 9.662 -17.546 1.00 63.13 O ATOM 369 CB PRO A 25 -2.504 11.643 -19.424 1.00 1.11 C ATOM 370 CG PRO A 25 -1.974 12.799 -18.647 1.00 65.02 C ATOM 371 CD PRO A 25 -2.537 12.659 -17.260 1.00 3.53 C ATOM 0 HA PRO A 25 -3.445 9.825 -18.591 1.00 2.45 H new ATOM 0 HB2 PRO A 25 -1.836 11.377 -20.243 1.00 1.11 H new ATOM 0 HB3 PRO A 25 -3.473 11.874 -19.866 1.00 1.11 H new ATOM 0 HG2 PRO A 25 -0.884 12.790 -18.628 1.00 65.02 H new ATOM 0 HG3 PRO A 25 -2.277 13.744 -19.098 1.00 65.02 H new ATOM 0 HD2 PRO A 25 -1.844 13.031 -16.506 1.00 3.53 H new ATOM 0 HD3 PRO A 25 -3.464 13.220 -17.144 1.00 3.53 H new ATOM 379 N PRO A 26 -1.239 8.831 -19.515 1.00 32.03 N ATOM 380 CA PRO A 26 -0.096 7.932 -19.699 1.00 73.13 C ATOM 381 C PRO A 26 1.195 8.689 -19.991 1.00 22.13 C ATOM 382 O PRO A 26 1.469 9.048 -21.136 1.00 33.15 O ATOM 383 CB PRO A 26 -0.504 7.085 -20.907 1.00 62.52 C ATOM 384 CG PRO A 26 -1.467 7.935 -21.660 1.00 14.23 C ATOM 385 CD PRO A 26 -2.202 8.741 -20.625 1.00 12.32 C ATOM 0 HA PRO A 26 0.113 7.349 -18.802 1.00 73.13 H new ATOM 0 HB2 PRO A 26 0.360 6.828 -21.520 1.00 62.52 H new ATOM 0 HB3 PRO A 26 -0.964 6.147 -20.595 1.00 62.52 H new ATOM 0 HG2 PRO A 26 -0.947 8.585 -22.364 1.00 14.23 H new ATOM 0 HG3 PRO A 26 -2.157 7.323 -22.241 1.00 14.23 H new ATOM 0 HD2 PRO A 26 -2.474 9.727 -21.002 1.00 12.32 H new ATOM 0 HD3 PRO A 26 -3.126 8.252 -20.317 1.00 12.32 H new ATOM 393 N GLN A 27 1.985 8.927 -18.949 1.00 14.05 N ATOM 394 CA GLN A 27 3.247 9.641 -19.094 1.00 11.23 C ATOM 395 C GLN A 27 4.420 8.669 -19.142 1.00 50.33 C ATOM 396 O GLN A 27 4.231 7.452 -19.156 1.00 50.31 O ATOM 397 CB GLN A 27 3.434 10.629 -17.941 1.00 22.20 C ATOM 398 CG GLN A 27 3.554 12.076 -18.392 1.00 1.12 C ATOM 399 CD GLN A 27 2.816 13.035 -17.479 1.00 23.43 C ATOM 400 OE1 GLN A 27 2.043 13.876 -17.937 1.00 52.11 O ATOM 401 NE2 GLN A 27 3.050 12.912 -16.177 1.00 11.23 N ATOM 0 H GLN A 27 1.773 8.635 -17.995 1.00 14.05 H new ATOM 0 HA GLN A 27 3.217 10.192 -20.034 1.00 11.23 H new ATOM 0 HB2 GLN A 27 2.590 10.539 -17.257 1.00 22.20 H new ATOM 0 HB3 GLN A 27 4.329 10.356 -17.382 1.00 22.20 H new ATOM 0 HG2 GLN A 27 4.607 12.355 -18.430 1.00 1.12 H new ATOM 0 HG3 GLN A 27 3.162 12.171 -19.405 1.00 1.12 H new ATOM 0 HE21 GLN A 27 3.699 12.201 -15.840 1.00 11.23 H new ATOM 0 HE22 GLN A 27 2.581 13.529 -15.514 1.00 11.23 H new ATOM 410 N ARG A 28 5.632 9.213 -19.168 1.00 44.33 N ATOM 411 CA ARG A 28 6.837 8.393 -19.217 1.00 12.24 C ATOM 412 C ARG A 28 6.958 7.531 -17.964 1.00 42.05 C ATOM 413 O ARG A 28 6.801 8.018 -16.844 1.00 41.32 O ATOM 414 CB ARG A 28 8.077 9.279 -19.362 1.00 30.42 C ATOM 415 CG ARG A 28 8.183 9.962 -20.715 1.00 33.25 C ATOM 416 CD ARG A 28 8.772 9.032 -21.764 1.00 24.34 C ATOM 417 NE ARG A 28 8.474 9.479 -23.121 1.00 74.03 N ATOM 418 CZ ARG A 28 9.110 10.478 -23.723 1.00 33.10 C ATOM 419 NH1 ARG A 28 10.075 11.131 -23.089 1.00 55.25 N ATOM 420 NH2 ARG A 28 8.781 10.826 -24.961 1.00 1.52 N ATOM 0 H ARG A 28 5.806 10.218 -19.156 1.00 44.33 H new ATOM 0 HA ARG A 28 6.765 7.736 -20.084 1.00 12.24 H new ATOM 0 HB2 ARG A 28 8.063 10.039 -18.581 1.00 30.42 H new ATOM 0 HB3 ARG A 28 8.968 8.672 -19.200 1.00 30.42 H new ATOM 0 HG2 ARG A 28 7.195 10.294 -21.035 1.00 33.25 H new ATOM 0 HG3 ARG A 28 8.805 10.853 -20.626 1.00 33.25 H new ATOM 0 HD2 ARG A 28 9.852 8.973 -21.631 1.00 24.34 H new ATOM 0 HD3 ARG A 28 8.378 8.026 -21.619 1.00 24.34 H new ATOM 0 HE ARG A 28 7.737 8.998 -23.636 1.00 74.03 H new ATOM 0 HH11 ARG A 28 10.330 10.866 -22.137 1.00 55.25 H new ATOM 0 HH12 ARG A 28 10.562 11.898 -23.553 1.00 55.25 H new ATOM 0 HH21 ARG A 28 8.039 10.326 -25.451 1.00 1.52 H new ATOM 0 HH22 ARG A 28 9.270 11.593 -25.422 1.00 1.52 H new ATOM 434 N LEU A 29 7.237 6.247 -18.161 1.00 64.24 N ATOM 435 CA LEU A 29 7.380 5.316 -17.048 1.00 30.33 C ATOM 436 C LEU A 29 7.742 3.920 -17.547 1.00 2.12 C ATOM 437 O LEU A 29 7.523 3.593 -18.713 1.00 34.33 O ATOM 438 CB LEU A 29 6.084 5.257 -16.237 1.00 15.32 C ATOM 439 CG LEU A 29 4.802 5.025 -17.036 1.00 14.34 C ATOM 440 CD1 LEU A 29 4.687 3.566 -17.449 1.00 61.21 C ATOM 441 CD2 LEU A 29 3.584 5.449 -16.228 1.00 1.22 C ATOM 0 H LEU A 29 7.369 5.827 -19.081 1.00 64.24 H new ATOM 0 HA LEU A 29 8.187 5.675 -16.409 1.00 30.33 H new ATOM 0 HB2 LEU A 29 6.177 4.461 -15.499 1.00 15.32 H new ATOM 0 HB3 LEU A 29 5.981 6.192 -15.686 1.00 15.32 H new ATOM 0 HG LEU A 29 4.845 5.635 -17.938 1.00 14.34 H new ATOM 0 HD11 LEU A 29 3.768 3.420 -18.017 1.00 61.21 H new ATOM 0 HD12 LEU A 29 5.543 3.294 -18.067 1.00 61.21 H new ATOM 0 HD13 LEU A 29 4.668 2.936 -16.559 1.00 61.21 H new ATOM 0 HD21 LEU A 29 2.681 5.276 -16.813 1.00 1.22 H new ATOM 0 HD22 LEU A 29 3.537 4.866 -15.308 1.00 1.22 H new ATOM 0 HD23 LEU A 29 3.661 6.508 -15.983 1.00 1.22 H new ATOM 453 N GLU A 30 8.297 3.104 -16.656 1.00 52.03 N ATOM 454 CA GLU A 30 8.689 1.744 -17.008 1.00 73.01 C ATOM 455 C GLU A 30 7.973 0.726 -16.126 1.00 3.43 C ATOM 456 O GLU A 30 7.769 0.957 -14.934 1.00 14.33 O ATOM 457 CB GLU A 30 10.204 1.576 -16.874 1.00 74.32 C ATOM 458 CG GLU A 30 10.717 0.245 -17.399 1.00 34.25 C ATOM 459 CD GLU A 30 12.193 0.283 -17.742 1.00 64.10 C ATOM 460 OE1 GLU A 30 12.536 0.784 -18.833 1.00 64.14 O ATOM 461 OE2 GLU A 30 13.005 -0.188 -16.918 1.00 64.51 O ATOM 0 H GLU A 30 8.485 3.360 -15.687 1.00 52.03 H new ATOM 0 HA GLU A 30 8.401 1.567 -18.044 1.00 73.01 H new ATOM 0 HB2 GLU A 30 10.700 2.384 -17.411 1.00 74.32 H new ATOM 0 HB3 GLU A 30 10.481 1.674 -15.824 1.00 74.32 H new ATOM 0 HG2 GLU A 30 10.541 -0.528 -16.651 1.00 34.25 H new ATOM 0 HG3 GLU A 30 10.149 -0.035 -18.286 1.00 34.25 H new ATOM 468 N TRP A 31 7.593 -0.399 -16.719 1.00 41.13 N ATOM 469 CA TRP A 31 6.899 -1.453 -15.987 1.00 72.22 C ATOM 470 C TRP A 31 7.615 -2.790 -16.148 1.00 43.21 C ATOM 471 O TRP A 31 8.146 -3.097 -17.215 1.00 51.11 O ATOM 472 CB TRP A 31 5.454 -1.572 -16.473 1.00 33.05 C ATOM 473 CG TRP A 31 4.455 -1.008 -15.508 1.00 72.21 C ATOM 474 CD1 TRP A 31 4.212 0.312 -15.258 1.00 21.25 C ATOM 475 CD2 TRP A 31 3.566 -1.749 -14.665 1.00 13.33 C ATOM 476 NE1 TRP A 31 3.226 0.437 -14.309 1.00 51.45 N ATOM 477 CE2 TRP A 31 2.812 -0.813 -13.930 1.00 11.01 C ATOM 478 CE3 TRP A 31 3.331 -3.111 -14.460 1.00 70.53 C ATOM 479 CZ2 TRP A 31 1.843 -1.197 -13.007 1.00 4.03 C ATOM 480 CZ3 TRP A 31 2.369 -3.491 -13.543 1.00 65.15 C ATOM 481 CH2 TRP A 31 1.635 -2.538 -12.827 1.00 21.11 C ATOM 0 H TRP A 31 7.753 -0.606 -17.705 1.00 41.13 H new ATOM 0 HA TRP A 31 6.899 -1.188 -14.930 1.00 72.22 H new ATOM 0 HB2 TRP A 31 5.356 -1.057 -17.429 1.00 33.05 H new ATOM 0 HB3 TRP A 31 5.223 -2.622 -16.651 1.00 33.05 H new ATOM 0 HD1 TRP A 31 4.720 1.137 -15.736 1.00 21.25 H new ATOM 0 HE1 TRP A 31 2.861 1.318 -13.946 1.00 51.45 H new ATOM 0 HE3 TRP A 31 3.891 -3.854 -15.008 1.00 70.53 H new ATOM 0 HZ2 TRP A 31 1.276 -0.463 -12.453 1.00 4.03 H new ATOM 0 HZ3 TRP A 31 2.180 -4.541 -13.376 1.00 65.15 H new ATOM 0 HH2 TRP A 31 0.890 -2.867 -12.118 1.00 21.11 H new ATOM 492 N LYS A 32 7.626 -3.582 -15.081 1.00 32.50 N ATOM 493 CA LYS A 32 8.274 -4.888 -15.104 1.00 23.03 C ATOM 494 C LYS A 32 7.468 -5.910 -14.308 1.00 44.24 C ATOM 495 O LYS A 32 6.898 -5.589 -13.265 1.00 14.13 O ATOM 496 CB LYS A 32 9.691 -4.785 -14.537 1.00 25.31 C ATOM 497 CG LYS A 32 10.658 -5.797 -15.126 1.00 71.32 C ATOM 498 CD LYS A 32 12.087 -5.281 -15.108 1.00 11.13 C ATOM 499 CE LYS A 32 12.628 -5.188 -13.690 1.00 62.33 C ATOM 500 NZ LYS A 32 14.053 -4.756 -13.668 1.00 4.14 N ATOM 0 H LYS A 32 7.193 -3.342 -14.189 1.00 32.50 H new ATOM 0 HA LYS A 32 8.327 -5.222 -16.140 1.00 23.03 H new ATOM 0 HB2 LYS A 32 10.074 -3.781 -14.719 1.00 25.31 H new ATOM 0 HB3 LYS A 32 9.651 -4.920 -13.456 1.00 25.31 H new ATOM 0 HG2 LYS A 32 10.600 -6.728 -14.562 1.00 71.32 H new ATOM 0 HG3 LYS A 32 10.366 -6.026 -16.151 1.00 71.32 H new ATOM 0 HD2 LYS A 32 12.721 -5.943 -15.698 1.00 11.13 H new ATOM 0 HD3 LYS A 32 12.126 -4.299 -15.579 1.00 11.13 H new ATOM 0 HE2 LYS A 32 12.026 -4.483 -13.117 1.00 62.33 H new ATOM 0 HE3 LYS A 32 12.535 -6.158 -13.201 1.00 62.33 H new ATOM 0 HZ1 LYS A 32 14.385 -4.705 -12.684 1.00 4.14 H new ATOM 0 HZ2 LYS A 32 14.632 -5.442 -14.193 1.00 4.14 H new ATOM 0 HZ3 LYS A 32 14.139 -3.819 -14.112 1.00 4.14 H new ATOM 514 N LEU A 33 7.429 -7.141 -14.805 1.00 51.32 N ATOM 515 CA LEU A 33 6.694 -8.211 -14.139 1.00 52.40 C ATOM 516 C LEU A 33 7.494 -9.510 -14.152 1.00 61.33 C ATOM 517 O LEU A 33 8.074 -9.883 -15.171 1.00 71.31 O ATOM 518 CB LEU A 33 5.340 -8.426 -14.817 1.00 3.31 C ATOM 519 CG LEU A 33 4.783 -9.849 -14.768 1.00 52.20 C ATOM 520 CD1 LEU A 33 4.506 -10.264 -13.331 1.00 55.11 C ATOM 521 CD2 LEU A 33 3.520 -9.956 -15.610 1.00 32.24 C ATOM 0 H LEU A 33 7.897 -7.423 -15.666 1.00 51.32 H new ATOM 0 HA LEU A 33 6.531 -7.916 -13.102 1.00 52.40 H new ATOM 0 HB2 LEU A 33 4.614 -7.757 -14.354 1.00 3.31 H new ATOM 0 HB3 LEU A 33 5.428 -8.127 -15.862 1.00 3.31 H new ATOM 0 HG LEU A 33 5.530 -10.526 -15.182 1.00 52.20 H new ATOM 0 HD11 LEU A 33 4.110 -11.279 -13.315 1.00 55.11 H new ATOM 0 HD12 LEU A 33 5.432 -10.227 -12.757 1.00 55.11 H new ATOM 0 HD13 LEU A 33 3.778 -9.584 -12.890 1.00 55.11 H new ATOM 0 HD21 LEU A 33 3.137 -10.975 -15.564 1.00 32.24 H new ATOM 0 HD22 LEU A 33 2.767 -9.268 -15.226 1.00 32.24 H new ATOM 0 HD23 LEU A 33 3.750 -9.701 -16.645 1.00 32.24 H new ATOM 533 N ASN A 34 7.518 -10.196 -13.014 1.00 4.24 N ATOM 534 CA ASN A 34 8.245 -11.454 -12.894 1.00 41.32 C ATOM 535 C ASN A 34 7.287 -12.614 -12.641 1.00 52.12 C ATOM 536 O ASN A 34 6.516 -12.600 -11.680 1.00 52.35 O ATOM 537 CB ASN A 34 9.271 -11.370 -11.763 1.00 1.52 C ATOM 538 CG ASN A 34 9.747 -12.736 -11.310 1.00 11.20 C ATOM 539 OD1 ASN A 34 9.064 -13.423 -10.548 1.00 43.51 O ATOM 540 ND2 ASN A 34 10.922 -13.139 -11.778 1.00 2.40 N ATOM 0 H ASN A 34 7.042 -9.901 -12.161 1.00 4.24 H new ATOM 0 HA ASN A 34 8.766 -11.634 -13.834 1.00 41.32 H new ATOM 0 HB2 ASN A 34 10.127 -10.782 -12.096 1.00 1.52 H new ATOM 0 HB3 ASN A 34 8.832 -10.842 -10.916 1.00 1.52 H new ATOM 0 HD21 ASN A 34 11.293 -14.050 -11.509 1.00 2.40 H new ATOM 0 HD22 ASN A 34 11.454 -12.537 -12.407 1.00 2.40 H new ATOM 547 N THR A 35 7.340 -13.618 -13.510 1.00 62.43 N ATOM 548 CA THR A 35 6.477 -14.786 -13.381 1.00 61.34 C ATOM 549 C THR A 35 7.241 -16.071 -13.687 1.00 52.42 C ATOM 550 O THR A 35 8.432 -16.038 -13.992 1.00 31.43 O ATOM 551 CB THR A 35 5.260 -14.691 -14.319 1.00 52.04 C ATOM 552 OG1 THR A 35 5.674 -14.863 -15.680 1.00 21.31 O ATOM 553 CG2 THR A 35 4.560 -13.350 -14.164 1.00 1.44 C ATOM 0 H THR A 35 7.971 -13.646 -14.311 1.00 62.43 H new ATOM 0 HA THR A 35 6.130 -14.810 -12.348 1.00 61.34 H new ATOM 0 HB THR A 35 4.560 -15.482 -14.049 1.00 52.04 H new ATOM 0 HG1 THR A 35 4.893 -14.803 -16.269 1.00 21.31 H new ATOM 0 HG21 THR A 35 3.704 -13.307 -14.837 1.00 1.44 H new ATOM 0 HG22 THR A 35 4.219 -13.234 -13.135 1.00 1.44 H new ATOM 0 HG23 THR A 35 5.255 -12.547 -14.409 1.00 1.44 H new ATOM 561 N GLY A 36 6.546 -17.201 -13.604 1.00 14.32 N ATOM 562 CA GLY A 36 7.174 -18.480 -13.876 1.00 4.03 C ATOM 563 C GLY A 36 8.049 -18.951 -12.731 1.00 2.12 C ATOM 564 O GLY A 36 7.600 -19.021 -11.586 1.00 33.10 O ATOM 0 H GLY A 36 5.559 -17.253 -13.353 1.00 14.32 H new ATOM 0 HA2 GLY A 36 6.403 -19.226 -14.071 1.00 4.03 H new ATOM 0 HA3 GLY A 36 7.777 -18.400 -14.781 1.00 4.03 H new ATOM 568 N ARG A 37 9.300 -19.275 -13.038 1.00 30.11 N ATOM 569 CA ARG A 37 10.238 -19.745 -12.026 1.00 43.10 C ATOM 570 C ARG A 37 11.378 -18.747 -11.837 1.00 72.40 C ATOM 571 O ARG A 37 11.851 -18.533 -10.721 1.00 11.54 O ATOM 572 CB ARG A 37 10.803 -21.112 -12.418 1.00 4.14 C ATOM 573 CG ARG A 37 10.492 -22.209 -11.413 1.00 45.01 C ATOM 574 CD ARG A 37 8.996 -22.447 -11.291 1.00 14.22 C ATOM 575 NE ARG A 37 8.461 -21.936 -10.032 1.00 30.35 N ATOM 576 CZ ARG A 37 8.673 -22.515 -8.855 1.00 14.25 C ATOM 577 NH1 ARG A 37 9.404 -23.618 -8.777 1.00 50.43 N ATOM 578 NH2 ARG A 37 8.153 -21.991 -7.753 1.00 11.34 N ATOM 0 H ARG A 37 9.688 -19.221 -13.980 1.00 30.11 H new ATOM 0 HA ARG A 37 9.699 -19.839 -11.083 1.00 43.10 H new ATOM 0 HB2 ARG A 37 10.401 -21.397 -13.390 1.00 4.14 H new ATOM 0 HB3 ARG A 37 11.884 -21.030 -12.531 1.00 4.14 H new ATOM 0 HG2 ARG A 37 10.984 -23.133 -11.717 1.00 45.01 H new ATOM 0 HG3 ARG A 37 10.899 -21.937 -10.439 1.00 45.01 H new ATOM 0 HD2 ARG A 37 8.483 -21.966 -12.124 1.00 14.22 H new ATOM 0 HD3 ARG A 37 8.792 -23.515 -11.365 1.00 14.22 H new ATOM 0 HE ARG A 37 7.894 -21.089 -10.058 1.00 30.35 H new ATOM 0 HH11 ARG A 37 9.806 -24.025 -9.622 1.00 50.43 H new ATOM 0 HH12 ARG A 37 9.565 -24.060 -7.872 1.00 50.43 H new ATOM 0 HH21 ARG A 37 7.590 -21.143 -7.808 1.00 11.34 H new ATOM 0 HH22 ARG A 37 8.317 -22.437 -6.850 1.00 11.34 H new ATOM 592 N THR A 38 11.816 -18.142 -12.936 1.00 42.13 N ATOM 593 CA THR A 38 12.901 -17.169 -12.893 1.00 31.44 C ATOM 594 C THR A 38 13.256 -16.679 -14.292 1.00 4.12 C ATOM 595 O THR A 38 13.677 -15.536 -14.469 1.00 41.43 O ATOM 596 CB THR A 38 14.160 -17.762 -12.234 1.00 61.20 C ATOM 597 OG1 THR A 38 14.104 -19.193 -12.267 1.00 51.23 O ATOM 598 CG2 THR A 38 14.291 -17.289 -10.794 1.00 61.04 C ATOM 0 H THR A 38 11.436 -18.309 -13.868 1.00 42.13 H new ATOM 0 HA THR A 38 12.549 -16.328 -12.296 1.00 31.44 H new ATOM 0 HB THR A 38 15.030 -17.420 -12.794 1.00 61.20 H new ATOM 0 HG1 THR A 38 14.909 -19.562 -11.847 1.00 51.23 H new ATOM 0 HG21 THR A 38 15.188 -17.721 -10.349 1.00 61.04 H new ATOM 0 HG22 THR A 38 14.363 -16.202 -10.773 1.00 61.04 H new ATOM 0 HG23 THR A 38 13.416 -17.605 -10.226 1.00 61.04 H new ATOM 606 N GLU A 39 13.082 -17.549 -15.280 1.00 73.24 N ATOM 607 CA GLU A 39 13.385 -17.202 -16.665 1.00 3.03 C ATOM 608 C GLU A 39 12.112 -16.856 -17.430 1.00 34.10 C ATOM 609 O GLU A 39 12.005 -17.115 -18.628 1.00 54.13 O ATOM 610 CB GLU A 39 14.111 -18.358 -17.356 1.00 20.53 C ATOM 611 CG GLU A 39 15.384 -18.789 -16.647 1.00 41.43 C ATOM 612 CD GLU A 39 15.641 -20.278 -16.764 1.00 71.13 C ATOM 613 OE1 GLU A 39 14.897 -21.060 -16.134 1.00 43.23 O ATOM 614 OE2 GLU A 39 16.586 -20.664 -17.485 1.00 13.15 O ATOM 0 H GLU A 39 12.733 -18.499 -15.149 1.00 73.24 H new ATOM 0 HA GLU A 39 14.034 -16.326 -16.660 1.00 3.03 H new ATOM 0 HB2 GLU A 39 13.436 -19.211 -17.423 1.00 20.53 H new ATOM 0 HB3 GLU A 39 14.356 -18.064 -18.377 1.00 20.53 H new ATOM 0 HG2 GLU A 39 16.230 -18.244 -17.065 1.00 41.43 H new ATOM 0 HG3 GLU A 39 15.319 -18.517 -15.593 1.00 41.43 H new ATOM 621 N ALA A 40 11.147 -16.269 -16.729 1.00 20.44 N ATOM 622 CA ALA A 40 9.881 -15.886 -17.341 1.00 63.14 C ATOM 623 C ALA A 40 9.626 -14.391 -17.185 1.00 42.50 C ATOM 624 O ALA A 40 8.680 -13.851 -17.758 1.00 51.41 O ATOM 625 CB ALA A 40 8.738 -16.685 -16.733 1.00 71.14 C ATOM 0 H ALA A 40 11.218 -16.048 -15.736 1.00 20.44 H new ATOM 0 HA ALA A 40 9.939 -16.109 -18.406 1.00 63.14 H new ATOM 0 HB1 ALA A 40 7.798 -16.389 -17.199 1.00 71.14 H new ATOM 0 HB2 ALA A 40 8.907 -17.748 -16.902 1.00 71.14 H new ATOM 0 HB3 ALA A 40 8.688 -16.491 -15.662 1.00 71.14 H new ATOM 631 N TRP A 41 10.475 -13.729 -16.407 1.00 73.02 N ATOM 632 CA TRP A 41 10.340 -12.295 -16.177 1.00 22.12 C ATOM 633 C TRP A 41 10.438 -11.521 -17.487 1.00 34.14 C ATOM 634 O TRP A 41 11.368 -11.718 -18.268 1.00 51.02 O ATOM 635 CB TRP A 41 11.417 -11.811 -15.203 1.00 31.33 C ATOM 636 CG TRP A 41 12.799 -11.846 -15.781 1.00 40.00 C ATOM 637 CD1 TRP A 41 13.507 -12.956 -16.147 1.00 31.34 C ATOM 638 CD2 TRP A 41 13.642 -10.722 -16.056 1.00 74.34 C ATOM 639 NE1 TRP A 41 14.738 -12.588 -16.633 1.00 65.33 N ATOM 640 CE2 TRP A 41 14.845 -11.224 -16.590 1.00 2.52 C ATOM 641 CE3 TRP A 41 13.495 -9.341 -15.908 1.00 52.42 C ATOM 642 CZ2 TRP A 41 15.894 -10.391 -16.971 1.00 72.12 C ATOM 643 CZ3 TRP A 41 14.537 -8.516 -16.287 1.00 52.32 C ATOM 644 CH2 TRP A 41 15.724 -9.043 -16.815 1.00 12.21 C ATOM 0 H TRP A 41 11.263 -14.162 -15.925 1.00 73.02 H new ATOM 0 HA TRP A 41 9.357 -12.113 -15.742 1.00 22.12 H new ATOM 0 HB2 TRP A 41 11.186 -10.792 -14.894 1.00 31.33 H new ATOM 0 HB3 TRP A 41 11.390 -12.430 -14.306 1.00 31.33 H new ATOM 0 HD1 TRP A 41 13.151 -13.973 -16.066 1.00 31.34 H new ATOM 0 HE1 TRP A 41 15.457 -13.228 -16.971 1.00 65.33 H new ATOM 0 HE3 TRP A 41 12.583 -8.925 -15.505 1.00 52.42 H new ATOM 0 HZ2 TRP A 41 16.810 -10.796 -17.376 1.00 72.12 H new ATOM 0 HZ3 TRP A 41 14.435 -7.447 -16.174 1.00 52.32 H new ATOM 0 HH2 TRP A 41 16.519 -8.372 -17.104 1.00 12.21 H new ATOM 655 N LYS A 42 9.472 -10.639 -17.721 1.00 73.50 N ATOM 656 CA LYS A 42 9.448 -9.834 -18.936 1.00 3.21 C ATOM 657 C LYS A 42 9.234 -8.359 -18.607 1.00 64.23 C ATOM 658 O LYS A 42 8.728 -8.018 -17.538 1.00 21.51 O ATOM 659 CB LYS A 42 8.345 -10.323 -19.876 1.00 0.12 C ATOM 660 CG LYS A 42 6.963 -10.321 -19.245 1.00 45.11 C ATOM 661 CD LYS A 42 6.550 -11.714 -18.802 1.00 24.25 C ATOM 662 CE LYS A 42 5.161 -11.713 -18.182 1.00 73.25 C ATOM 663 NZ LYS A 42 4.267 -12.716 -18.825 1.00 62.13 N ATOM 0 H LYS A 42 8.695 -10.464 -17.084 1.00 73.50 H new ATOM 0 HA LYS A 42 10.413 -9.942 -19.432 1.00 3.21 H new ATOM 0 HB2 LYS A 42 8.330 -9.692 -20.765 1.00 0.12 H new ATOM 0 HB3 LYS A 42 8.583 -11.334 -20.207 1.00 0.12 H new ATOM 0 HG2 LYS A 42 6.955 -9.648 -18.387 1.00 45.11 H new ATOM 0 HG3 LYS A 42 6.236 -9.935 -19.960 1.00 45.11 H new ATOM 0 HD2 LYS A 42 6.567 -12.389 -19.658 1.00 24.25 H new ATOM 0 HD3 LYS A 42 7.272 -12.096 -18.080 1.00 24.25 H new ATOM 0 HE2 LYS A 42 5.239 -11.926 -17.116 1.00 73.25 H new ATOM 0 HE3 LYS A 42 4.721 -10.720 -18.277 1.00 73.25 H new ATOM 0 HZ1 LYS A 42 3.288 -12.561 -18.510 1.00 62.13 H new ATOM 0 HZ2 LYS A 42 4.318 -12.615 -19.859 1.00 62.13 H new ATOM 0 HZ3 LYS A 42 4.570 -13.674 -18.556 1.00 62.13 H new ATOM 677 N VAL A 43 9.623 -7.489 -19.534 1.00 31.02 N ATOM 678 CA VAL A 43 9.471 -6.051 -19.343 1.00 52.21 C ATOM 679 C VAL A 43 8.129 -5.565 -19.881 1.00 4.35 C ATOM 680 O VAL A 43 7.829 -5.723 -21.064 1.00 75.23 O ATOM 681 CB VAL A 43 10.603 -5.270 -20.036 1.00 73.02 C ATOM 682 CG1 VAL A 43 10.465 -3.780 -19.769 1.00 54.51 C ATOM 683 CG2 VAL A 43 11.960 -5.779 -19.575 1.00 30.23 C ATOM 0 H VAL A 43 10.045 -7.754 -20.424 1.00 31.02 H new ATOM 0 HA VAL A 43 9.518 -5.867 -18.270 1.00 52.21 H new ATOM 0 HB VAL A 43 10.526 -5.430 -21.111 1.00 73.02 H new ATOM 0 HG11 VAL A 43 11.274 -3.245 -20.267 1.00 54.51 H new ATOM 0 HG12 VAL A 43 9.507 -3.429 -20.153 1.00 54.51 H new ATOM 0 HG13 VAL A 43 10.515 -3.597 -18.696 1.00 54.51 H new ATOM 0 HG21 VAL A 43 12.749 -5.216 -20.075 1.00 30.23 H new ATOM 0 HG22 VAL A 43 12.050 -5.650 -18.496 1.00 30.23 H new ATOM 0 HG23 VAL A 43 12.056 -6.836 -19.823 1.00 30.23 H new ATOM 693 N LEU A 44 7.327 -4.971 -19.004 1.00 3.33 N ATOM 694 CA LEU A 44 6.017 -4.458 -19.390 1.00 61.32 C ATOM 695 C LEU A 44 6.112 -3.005 -19.843 1.00 70.41 C ATOM 696 O LEU A 44 6.900 -2.227 -19.305 1.00 34.42 O ATOM 697 CB LEU A 44 5.037 -4.579 -18.222 1.00 52.41 C ATOM 698 CG LEU A 44 4.176 -5.842 -18.195 1.00 53.12 C ATOM 699 CD1 LEU A 44 3.700 -6.134 -16.780 1.00 42.53 C ATOM 700 CD2 LEU A 44 2.991 -5.701 -19.140 1.00 61.04 C ATOM 0 H LEU A 44 7.561 -4.833 -18.021 1.00 3.33 H new ATOM 0 HA LEU A 44 5.652 -5.055 -20.226 1.00 61.32 H new ATOM 0 HB2 LEU A 44 5.604 -4.530 -17.292 1.00 52.41 H new ATOM 0 HB3 LEU A 44 4.375 -3.713 -18.238 1.00 52.41 H new ATOM 0 HG LEU A 44 4.785 -6.681 -18.532 1.00 53.12 H new ATOM 0 HD11 LEU A 44 3.089 -7.036 -16.781 1.00 42.53 H new ATOM 0 HD12 LEU A 44 4.562 -6.280 -16.129 1.00 42.53 H new ATOM 0 HD13 LEU A 44 3.108 -5.295 -16.415 1.00 42.53 H new ATOM 0 HD21 LEU A 44 2.390 -6.609 -19.107 1.00 61.04 H new ATOM 0 HD22 LEU A 44 2.381 -4.851 -18.834 1.00 61.04 H new ATOM 0 HD23 LEU A 44 3.353 -5.542 -20.156 1.00 61.04 H new ATOM 712 N SER A 45 5.302 -2.645 -20.833 1.00 72.21 N ATOM 713 CA SER A 45 5.295 -1.285 -21.359 1.00 65.21 C ATOM 714 C SER A 45 3.886 -0.703 -21.341 1.00 14.45 C ATOM 715 O SER A 45 2.890 -1.420 -21.231 1.00 43.10 O ATOM 716 CB SER A 45 5.849 -1.264 -22.785 1.00 3.34 C ATOM 717 OG SER A 45 5.710 -2.531 -23.404 1.00 62.14 O ATOM 0 H SER A 45 4.642 -3.276 -21.287 1.00 72.21 H new ATOM 0 HA SER A 45 5.931 -0.672 -20.720 1.00 65.21 H new ATOM 0 HB2 SER A 45 5.324 -0.510 -23.371 1.00 3.34 H new ATOM 0 HB3 SER A 45 6.901 -0.978 -22.766 1.00 3.34 H new ATOM 0 HG SER A 45 6.070 -2.491 -24.315 1.00 62.14 H new ATOM 723 N PRO A 46 3.796 0.632 -21.450 1.00 74.53 N ATOM 724 CA PRO A 46 2.513 1.342 -21.450 1.00 42.21 C ATOM 725 C PRO A 46 1.707 1.084 -22.719 1.00 45.34 C ATOM 726 O PRO A 46 0.608 1.613 -22.884 1.00 43.13 O ATOM 727 CB PRO A 46 2.923 2.814 -21.366 1.00 2.21 C ATOM 728 CG PRO A 46 4.295 2.859 -21.945 1.00 32.04 C ATOM 729 CD PRO A 46 4.940 1.549 -21.585 1.00 10.34 C ATOM 0 HA PRO A 46 1.868 1.018 -20.634 1.00 42.21 H new ATOM 0 HB2 PRO A 46 2.236 3.449 -21.926 1.00 2.21 H new ATOM 0 HB3 PRO A 46 2.916 3.169 -20.335 1.00 2.21 H new ATOM 0 HG2 PRO A 46 4.258 2.992 -23.026 1.00 32.04 H new ATOM 0 HG3 PRO A 46 4.862 3.697 -21.540 1.00 32.04 H new ATOM 0 HD2 PRO A 46 5.633 1.216 -22.358 1.00 10.34 H new ATOM 0 HD3 PRO A 46 5.508 1.622 -20.658 1.00 10.34 H new ATOM 737 N GLN A 47 2.261 0.270 -23.611 1.00 62.33 N ATOM 738 CA GLN A 47 1.593 -0.056 -24.865 1.00 12.42 C ATOM 739 C GLN A 47 1.323 -1.554 -24.965 1.00 31.24 C ATOM 740 O GLN A 47 2.170 -2.319 -25.424 1.00 42.33 O ATOM 741 CB GLN A 47 2.441 0.402 -26.054 1.00 72.50 C ATOM 742 CG GLN A 47 1.727 0.287 -27.390 1.00 75.22 C ATOM 743 CD GLN A 47 0.336 0.890 -27.363 1.00 42.04 C ATOM 744 OE1 GLN A 47 -0.664 0.173 -27.346 1.00 74.40 O ATOM 745 NE2 GLN A 47 0.266 2.216 -27.358 1.00 63.11 N ATOM 0 H GLN A 47 3.170 -0.176 -23.489 1.00 62.33 H new ATOM 0 HA GLN A 47 0.638 0.469 -24.885 1.00 12.42 H new ATOM 0 HB2 GLN A 47 2.739 1.439 -25.899 1.00 72.50 H new ATOM 0 HB3 GLN A 47 3.355 -0.191 -26.088 1.00 72.50 H new ATOM 0 HG2 GLN A 47 2.319 0.784 -28.158 1.00 75.22 H new ATOM 0 HG3 GLN A 47 1.658 -0.764 -27.671 1.00 75.22 H new ATOM 0 HE21 GLN A 47 1.121 2.772 -27.373 1.00 63.11 H new ATOM 0 HE22 GLN A 47 -0.643 2.679 -27.339 1.00 63.11 H new ATOM 754 N GLY A 48 0.135 -1.966 -24.530 1.00 43.13 N ATOM 755 CA GLY A 48 -0.224 -3.371 -24.579 1.00 75.32 C ATOM 756 C GLY A 48 -1.082 -3.709 -25.782 1.00 33.15 C ATOM 757 O GLY A 48 -1.400 -4.873 -26.020 1.00 74.21 O ATOM 0 H GLY A 48 -0.583 -1.353 -24.145 1.00 43.13 H new ATOM 0 HA2 GLY A 48 0.684 -3.974 -24.603 1.00 75.32 H new ATOM 0 HA3 GLY A 48 -0.760 -3.638 -23.668 1.00 75.32 H new ATOM 761 N GLY A 49 -1.462 -2.686 -26.542 1.00 61.02 N ATOM 762 CA GLY A 49 -2.287 -2.900 -27.717 1.00 44.24 C ATOM 763 C GLY A 49 -1.720 -3.963 -28.638 1.00 20.02 C ATOM 764 O GLY A 49 -0.741 -3.725 -29.344 1.00 4.41 O ATOM 0 H GLY A 49 -1.213 -1.713 -26.365 1.00 61.02 H new ATOM 0 HA2 GLY A 49 -3.290 -3.191 -27.405 1.00 44.24 H new ATOM 0 HA3 GLY A 49 -2.384 -1.963 -28.265 1.00 44.24 H new ATOM 768 N GLY A 50 -2.336 -5.141 -28.629 1.00 43.11 N ATOM 769 CA GLY A 50 -1.871 -6.228 -29.472 1.00 2.41 C ATOM 770 C GLY A 50 -1.543 -7.477 -28.679 1.00 71.23 C ATOM 771 O GLY A 50 -2.295 -8.451 -28.676 1.00 71.22 O ATOM 0 H GLY A 50 -3.148 -5.362 -28.053 1.00 43.11 H new ATOM 0 HA2 GLY A 50 -2.636 -6.462 -30.213 1.00 2.41 H new ATOM 0 HA3 GLY A 50 -0.985 -5.906 -30.019 1.00 2.41 H new ATOM 775 N PRO A 51 -0.394 -7.460 -27.989 1.00 23.24 N ATOM 776 CA PRO A 51 0.059 -8.593 -27.176 1.00 21.42 C ATOM 777 C PRO A 51 -0.800 -8.795 -25.932 1.00 61.30 C ATOM 778 O PRO A 51 -0.544 -9.692 -25.129 1.00 73.43 O ATOM 779 CB PRO A 51 1.485 -8.201 -26.783 1.00 44.32 C ATOM 780 CG PRO A 51 1.498 -6.711 -26.840 1.00 73.40 C ATOM 781 CD PRO A 51 0.552 -6.332 -27.945 1.00 62.13 C ATOM 0 HA PRO A 51 -0.004 -9.535 -27.720 1.00 21.42 H new ATOM 0 HB2 PRO A 51 1.734 -8.561 -25.785 1.00 44.32 H new ATOM 0 HB3 PRO A 51 2.216 -8.630 -27.468 1.00 44.32 H new ATOM 0 HG2 PRO A 51 1.181 -6.281 -25.890 1.00 73.40 H new ATOM 0 HG3 PRO A 51 2.502 -6.337 -27.040 1.00 73.40 H new ATOM 0 HD2 PRO A 51 0.045 -5.391 -27.734 1.00 62.13 H new ATOM 0 HD3 PRO A 51 1.073 -6.208 -28.894 1.00 62.13 H new ATOM 789 N TRP A 52 -1.818 -7.956 -25.780 1.00 3.24 N ATOM 790 CA TRP A 52 -2.714 -8.044 -24.633 1.00 12.21 C ATOM 791 C TRP A 52 -3.240 -9.464 -24.460 1.00 40.21 C ATOM 792 O TRP A 52 -3.434 -9.931 -23.337 1.00 71.13 O ATOM 793 CB TRP A 52 -3.883 -7.071 -24.798 1.00 50.14 C ATOM 794 CG TRP A 52 -4.869 -7.499 -25.843 1.00 21.31 C ATOM 795 CD1 TRP A 52 -4.708 -7.433 -27.197 1.00 63.24 C ATOM 796 CD2 TRP A 52 -6.169 -8.056 -25.617 1.00 62.23 C ATOM 797 NE1 TRP A 52 -5.829 -7.917 -27.828 1.00 70.02 N ATOM 798 CE2 TRP A 52 -6.739 -8.305 -26.881 1.00 21.43 C ATOM 799 CE3 TRP A 52 -6.905 -8.370 -24.472 1.00 72.01 C ATOM 800 CZ2 TRP A 52 -8.011 -8.853 -27.028 1.00 63.30 C ATOM 801 CZ3 TRP A 52 -8.167 -8.913 -24.620 1.00 13.12 C ATOM 802 CH2 TRP A 52 -8.710 -9.151 -25.890 1.00 20.33 C ATOM 0 H TRP A 52 -2.043 -7.208 -26.436 1.00 3.24 H new ATOM 0 HA TRP A 52 -2.149 -7.775 -23.741 1.00 12.21 H new ATOM 0 HB2 TRP A 52 -4.398 -6.968 -23.843 1.00 50.14 H new ATOM 0 HB3 TRP A 52 -3.493 -6.087 -25.058 1.00 50.14 H new ATOM 0 HD1 TRP A 52 -3.829 -7.056 -27.699 1.00 63.24 H new ATOM 0 HE1 TRP A 52 -5.962 -7.977 -28.838 1.00 70.02 H new ATOM 0 HE3 TRP A 52 -6.495 -8.192 -23.489 1.00 72.01 H new ATOM 0 HZ2 TRP A 52 -8.431 -9.036 -28.006 1.00 63.30 H new ATOM 0 HZ3 TRP A 52 -8.745 -9.158 -23.741 1.00 13.12 H new ATOM 0 HH2 TRP A 52 -9.699 -9.578 -25.972 1.00 20.33 H new ATOM 813 N ASP A 53 -3.468 -10.146 -25.577 1.00 2.23 N ATOM 814 CA ASP A 53 -3.970 -11.515 -25.548 1.00 71.32 C ATOM 815 C ASP A 53 -2.910 -12.472 -25.011 1.00 44.35 C ATOM 816 O ASP A 53 -3.230 -13.537 -24.484 1.00 40.32 O ATOM 817 CB ASP A 53 -4.406 -11.951 -26.948 1.00 10.33 C ATOM 818 CG ASP A 53 -3.268 -12.555 -27.747 1.00 13.41 C ATOM 819 OD1 ASP A 53 -2.377 -11.794 -28.180 1.00 23.44 O ATOM 820 OD2 ASP A 53 -3.268 -13.789 -27.939 1.00 22.22 O ATOM 0 H ASP A 53 -3.313 -9.773 -26.514 1.00 2.23 H new ATOM 0 HA ASP A 53 -4.832 -11.545 -24.881 1.00 71.32 H new ATOM 0 HB2 ASP A 53 -5.213 -12.679 -26.864 1.00 10.33 H new ATOM 0 HB3 ASP A 53 -4.807 -11.091 -27.485 1.00 10.33 H new ATOM 825 N SER A 54 -1.645 -12.084 -25.150 1.00 74.14 N ATOM 826 CA SER A 54 -0.538 -12.909 -24.684 1.00 64.52 C ATOM 827 C SER A 54 -0.180 -12.572 -23.240 1.00 63.23 C ATOM 828 O SER A 54 0.075 -13.462 -22.428 1.00 12.14 O ATOM 829 CB SER A 54 0.685 -12.714 -25.583 1.00 40.02 C ATOM 830 OG SER A 54 0.345 -11.999 -26.759 1.00 25.02 O ATOM 0 H SER A 54 -1.363 -11.204 -25.581 1.00 74.14 H new ATOM 0 HA SER A 54 -0.851 -13.952 -24.729 1.00 64.52 H new ATOM 0 HB2 SER A 54 1.459 -12.175 -25.037 1.00 40.02 H new ATOM 0 HB3 SER A 54 1.101 -13.685 -25.852 1.00 40.02 H new ATOM 0 HG SER A 54 1.144 -11.886 -27.316 1.00 25.02 H new ATOM 836 N VAL A 55 -0.161 -11.280 -22.927 1.00 34.52 N ATOM 837 CA VAL A 55 0.164 -10.825 -21.581 1.00 52.44 C ATOM 838 C VAL A 55 -0.962 -9.975 -21.001 1.00 64.25 C ATOM 839 O VAL A 55 -1.948 -10.502 -20.486 1.00 42.24 O ATOM 840 CB VAL A 55 1.469 -10.007 -21.566 1.00 51.33 C ATOM 841 CG1 VAL A 55 2.670 -10.919 -21.366 1.00 13.11 C ATOM 842 CG2 VAL A 55 1.609 -9.202 -22.851 1.00 32.55 C ATOM 0 H VAL A 55 -0.367 -10.530 -23.587 1.00 34.52 H new ATOM 0 HA VAL A 55 0.295 -11.717 -20.968 1.00 52.44 H new ATOM 0 HB VAL A 55 1.429 -9.310 -20.729 1.00 51.33 H new ATOM 0 HG11 VAL A 55 3.582 -10.323 -21.358 1.00 13.11 H new ATOM 0 HG12 VAL A 55 2.573 -11.446 -20.417 1.00 13.11 H new ATOM 0 HG13 VAL A 55 2.717 -11.643 -22.180 1.00 13.11 H new ATOM 0 HG21 VAL A 55 2.537 -8.630 -22.823 1.00 32.55 H new ATOM 0 HG22 VAL A 55 1.626 -9.879 -23.705 1.00 32.55 H new ATOM 0 HG23 VAL A 55 0.765 -8.519 -22.946 1.00 32.55 H new ATOM 852 N ALA A 56 -0.807 -8.658 -21.089 1.00 20.30 N ATOM 853 CA ALA A 56 -1.813 -7.736 -20.575 1.00 63.44 C ATOM 854 C ALA A 56 -1.575 -6.322 -21.093 1.00 70.21 C ATOM 855 O ALA A 56 -0.598 -6.064 -21.797 1.00 4.32 O ATOM 856 CB ALA A 56 -1.813 -7.749 -19.054 1.00 63.22 C ATOM 0 H ALA A 56 0.004 -8.206 -21.511 1.00 20.30 H new ATOM 0 HA ALA A 56 -2.789 -8.067 -20.930 1.00 63.44 H new ATOM 0 HB1 ALA A 56 -2.569 -7.056 -18.684 1.00 63.22 H new ATOM 0 HB2 ALA A 56 -2.038 -8.755 -18.699 1.00 63.22 H new ATOM 0 HB3 ALA A 56 -0.832 -7.446 -18.688 1.00 63.22 H new ATOM 862 N ARG A 57 -2.476 -5.409 -20.743 1.00 64.42 N ATOM 863 CA ARG A 57 -2.365 -4.021 -21.175 1.00 24.11 C ATOM 864 C ARG A 57 -2.081 -3.103 -19.988 1.00 71.55 C ATOM 865 O ARG A 57 -2.313 -3.471 -18.837 1.00 30.42 O ATOM 866 CB ARG A 57 -3.648 -3.579 -21.879 1.00 75.31 C ATOM 867 CG ARG A 57 -4.259 -4.655 -22.764 1.00 41.11 C ATOM 868 CD ARG A 57 -5.533 -5.220 -22.156 1.00 11.41 C ATOM 869 NE ARG A 57 -6.688 -4.362 -22.413 1.00 45.13 N ATOM 870 CZ ARG A 57 -7.350 -4.347 -23.564 1.00 1.34 C ATOM 871 NH1 ARG A 57 -6.975 -5.138 -24.560 1.00 30.01 N ATOM 872 NH2 ARG A 57 -8.391 -3.539 -23.720 1.00 53.13 N ATOM 0 H ARG A 57 -3.291 -5.606 -20.162 1.00 64.42 H new ATOM 0 HA ARG A 57 -1.532 -3.950 -21.875 1.00 24.11 H new ATOM 0 HB2 ARG A 57 -4.379 -3.279 -21.129 1.00 75.31 H new ATOM 0 HB3 ARG A 57 -3.435 -2.699 -22.486 1.00 75.31 H new ATOM 0 HG2 ARG A 57 -4.478 -4.238 -23.747 1.00 41.11 H new ATOM 0 HG3 ARG A 57 -3.538 -5.459 -22.912 1.00 41.11 H new ATOM 0 HD2 ARG A 57 -5.721 -6.213 -22.565 1.00 11.41 H new ATOM 0 HD3 ARG A 57 -5.401 -5.338 -21.080 1.00 11.41 H new ATOM 0 HE ARG A 57 -7.003 -3.741 -21.668 1.00 45.13 H new ATOM 0 HH11 ARG A 57 -6.176 -5.761 -24.443 1.00 30.01 H new ATOM 0 HH12 ARG A 57 -7.486 -5.124 -25.443 1.00 30.01 H new ATOM 0 HH21 ARG A 57 -8.683 -2.930 -22.956 1.00 53.13 H new ATOM 0 HH22 ARG A 57 -8.900 -3.527 -24.604 1.00 53.13 H new ATOM 886 N VAL A 58 -1.577 -1.909 -20.279 1.00 12.44 N ATOM 887 CA VAL A 58 -1.263 -0.938 -19.237 1.00 10.14 C ATOM 888 C VAL A 58 -2.232 0.238 -19.271 1.00 2.52 C ATOM 889 O VAL A 58 -2.471 0.830 -20.325 1.00 34.43 O ATOM 890 CB VAL A 58 0.176 -0.408 -19.379 1.00 13.11 C ATOM 891 CG1 VAL A 58 0.361 0.862 -18.561 1.00 73.44 C ATOM 892 CG2 VAL A 58 1.179 -1.472 -18.962 1.00 23.50 C ATOM 0 H VAL A 58 -1.377 -1.590 -21.227 1.00 12.44 H new ATOM 0 HA VAL A 58 -1.359 -1.456 -18.283 1.00 10.14 H new ATOM 0 HB VAL A 58 0.354 -0.165 -20.427 1.00 13.11 H new ATOM 0 HG11 VAL A 58 1.384 1.222 -18.674 1.00 73.44 H new ATOM 0 HG12 VAL A 58 -0.333 1.626 -18.913 1.00 73.44 H new ATOM 0 HG13 VAL A 58 0.165 0.650 -17.510 1.00 73.44 H new ATOM 0 HG21 VAL A 58 2.191 -1.080 -19.069 1.00 23.50 H new ATOM 0 HG22 VAL A 58 1.005 -1.749 -17.922 1.00 23.50 H new ATOM 0 HG23 VAL A 58 1.062 -2.351 -19.596 1.00 23.50 H new ATOM 902 N LEU A 59 -2.787 0.575 -18.111 1.00 75.44 N ATOM 903 CA LEU A 59 -3.731 1.681 -18.008 1.00 0.31 C ATOM 904 C LEU A 59 -3.029 3.018 -18.230 1.00 73.42 C ATOM 905 O LEU A 59 -1.814 3.142 -18.079 1.00 33.30 O ATOM 906 CB LEU A 59 -4.411 1.672 -16.637 1.00 40.11 C ATOM 907 CG LEU A 59 -5.260 0.441 -16.318 1.00 72.42 C ATOM 908 CD1 LEU A 59 -6.029 0.644 -15.022 1.00 71.11 C ATOM 909 CD2 LEU A 59 -6.214 0.139 -17.464 1.00 44.24 C ATOM 0 H LEU A 59 -2.599 0.098 -17.229 1.00 75.44 H new ATOM 0 HA LEU A 59 -4.487 1.554 -18.783 1.00 0.31 H new ATOM 0 HB2 LEU A 59 -3.641 1.766 -15.871 1.00 40.11 H new ATOM 0 HB3 LEU A 59 -5.045 2.555 -16.562 1.00 40.11 H new ATOM 0 HG LEU A 59 -4.594 -0.413 -16.192 1.00 72.42 H new ATOM 0 HD11 LEU A 59 -6.627 -0.242 -14.811 1.00 71.11 H new ATOM 0 HD12 LEU A 59 -5.327 0.811 -14.205 1.00 71.11 H new ATOM 0 HD13 LEU A 59 -6.684 1.509 -15.120 1.00 71.11 H new ATOM 0 HD21 LEU A 59 -6.810 -0.740 -17.219 1.00 44.24 H new ATOM 0 HD22 LEU A 59 -6.874 0.992 -17.623 1.00 44.24 H new ATOM 0 HD23 LEU A 59 -5.643 -0.052 -18.372 1.00 44.24 H new ATOM 921 N PRO A 60 -3.812 4.043 -18.596 1.00 52.45 N ATOM 922 CA PRO A 60 -3.288 5.390 -18.845 1.00 3.41 C ATOM 923 C PRO A 60 -2.821 6.076 -17.566 1.00 24.32 C ATOM 924 O PRO A 60 -2.000 6.991 -17.605 1.00 20.42 O ATOM 925 CB PRO A 60 -4.486 6.132 -19.442 1.00 62.01 C ATOM 926 CG PRO A 60 -5.679 5.410 -18.918 1.00 54.35 C ATOM 927 CD PRO A 60 -5.270 3.969 -18.796 1.00 61.51 C ATOM 0 HA PRO A 60 -2.413 5.373 -19.494 1.00 3.41 H new ATOM 0 HB2 PRO A 60 -4.493 7.179 -19.140 1.00 62.01 H new ATOM 0 HB3 PRO A 60 -4.460 6.114 -20.532 1.00 62.01 H new ATOM 0 HG2 PRO A 60 -5.985 5.812 -17.952 1.00 54.35 H new ATOM 0 HG3 PRO A 60 -6.528 5.519 -19.592 1.00 54.35 H new ATOM 0 HD2 PRO A 60 -5.766 3.480 -17.958 1.00 61.51 H new ATOM 0 HD3 PRO A 60 -5.524 3.402 -19.691 1.00 61.51 H new ATOM 935 N ASN A 61 -3.349 5.625 -16.432 1.00 2.51 N ATOM 936 CA ASN A 61 -2.985 6.196 -15.140 1.00 32.53 C ATOM 937 C ASN A 61 -1.720 5.542 -14.593 1.00 4.34 C ATOM 938 O ASN A 61 -1.268 5.863 -13.495 1.00 20.34 O ATOM 939 CB ASN A 61 -4.133 6.025 -14.142 1.00 24.02 C ATOM 940 CG ASN A 61 -4.649 4.600 -14.092 1.00 61.23 C ATOM 941 OD1 ASN A 61 -5.312 4.134 -15.020 1.00 4.44 O ATOM 942 ND2 ASN A 61 -4.345 3.898 -13.006 1.00 40.34 N ATOM 0 H ASN A 61 -4.029 4.867 -16.382 1.00 2.51 H new ATOM 0 HA ASN A 61 -2.791 7.259 -15.282 1.00 32.53 H new ATOM 0 HB2 ASN A 61 -3.794 6.321 -13.149 1.00 24.02 H new ATOM 0 HB3 ASN A 61 -4.949 6.695 -14.413 1.00 24.02 H new ATOM 0 HD21 ASN A 61 -4.663 2.933 -12.917 1.00 40.34 H new ATOM 0 HD22 ASN A 61 -3.793 4.324 -12.261 1.00 40.34 H new ATOM 949 N GLY A 62 -1.151 4.624 -15.369 1.00 35.12 N ATOM 950 CA GLY A 62 0.056 3.940 -14.946 1.00 33.22 C ATOM 951 C GLY A 62 -0.236 2.637 -14.228 1.00 3.53 C ATOM 952 O GLY A 62 0.579 2.160 -13.439 1.00 60.02 O ATOM 0 H GLY A 62 -1.505 4.342 -16.283 1.00 35.12 H new ATOM 0 HA2 GLY A 62 0.680 3.739 -15.817 1.00 33.22 H new ATOM 0 HA3 GLY A 62 0.628 4.594 -14.288 1.00 33.22 H new ATOM 956 N SER A 63 -1.403 2.063 -14.500 1.00 12.24 N ATOM 957 CA SER A 63 -1.804 0.810 -13.869 1.00 51.11 C ATOM 958 C SER A 63 -1.671 -0.356 -14.844 1.00 12.42 C ATOM 959 O SER A 63 -1.253 -0.178 -15.989 1.00 64.44 O ATOM 960 CB SER A 63 -3.245 0.906 -13.365 1.00 1.25 C ATOM 961 OG SER A 63 -3.286 1.347 -12.018 1.00 43.11 O ATOM 0 H SER A 63 -2.088 2.445 -15.153 1.00 12.24 H new ATOM 0 HA SER A 63 -1.142 0.630 -13.022 1.00 51.11 H new ATOM 0 HB2 SER A 63 -3.808 1.595 -13.994 1.00 1.25 H new ATOM 0 HB3 SER A 63 -3.728 -0.068 -13.447 1.00 1.25 H new ATOM 0 HG SER A 63 -3.870 0.756 -11.498 1.00 43.11 H new ATOM 967 N LEU A 64 -2.030 -1.549 -14.382 1.00 12.42 N ATOM 968 CA LEU A 64 -1.952 -2.745 -15.212 1.00 42.24 C ATOM 969 C LEU A 64 -3.263 -3.523 -15.170 1.00 64.34 C ATOM 970 O LEU A 64 -3.795 -3.806 -14.097 1.00 42.22 O ATOM 971 CB LEU A 64 -0.800 -3.638 -14.747 1.00 13.05 C ATOM 972 CG LEU A 64 -0.836 -5.088 -15.232 1.00 41.33 C ATOM 973 CD1 LEU A 64 -1.037 -5.141 -16.739 1.00 61.12 C ATOM 974 CD2 LEU A 64 0.440 -5.815 -14.837 1.00 24.24 C ATOM 0 H LEU A 64 -2.378 -1.713 -13.437 1.00 12.42 H new ATOM 0 HA LEU A 64 -1.769 -2.433 -16.240 1.00 42.24 H new ATOM 0 HB2 LEU A 64 0.137 -3.189 -15.077 1.00 13.05 H new ATOM 0 HB3 LEU A 64 -0.786 -3.641 -13.657 1.00 13.05 H new ATOM 0 HG LEU A 64 -1.678 -5.590 -14.755 1.00 41.33 H new ATOM 0 HD11 LEU A 64 -1.060 -6.180 -17.067 1.00 61.12 H new ATOM 0 HD12 LEU A 64 -1.979 -4.658 -16.998 1.00 61.12 H new ATOM 0 HD13 LEU A 64 -0.216 -4.623 -17.234 1.00 61.12 H new ATOM 0 HD21 LEU A 64 0.396 -6.845 -15.191 1.00 24.24 H new ATOM 0 HD22 LEU A 64 1.298 -5.314 -15.285 1.00 24.24 H new ATOM 0 HD23 LEU A 64 0.542 -5.808 -13.752 1.00 24.24 H new ATOM 986 N PHE A 65 -3.778 -3.870 -16.346 1.00 4.13 N ATOM 987 CA PHE A 65 -5.025 -4.617 -16.444 1.00 15.14 C ATOM 988 C PHE A 65 -4.837 -5.885 -17.271 1.00 71.02 C ATOM 989 O PHE A 65 -4.301 -5.843 -18.379 1.00 11.22 O ATOM 990 CB PHE A 65 -6.119 -3.746 -17.067 1.00 63.43 C ATOM 991 CG PHE A 65 -7.364 -4.508 -17.418 1.00 51.10 C ATOM 992 CD1 PHE A 65 -7.888 -5.446 -16.544 1.00 61.44 C ATOM 993 CD2 PHE A 65 -8.012 -4.286 -18.623 1.00 43.55 C ATOM 994 CE1 PHE A 65 -9.034 -6.149 -16.865 1.00 31.23 C ATOM 995 CE2 PHE A 65 -9.158 -4.985 -18.948 1.00 54.22 C ATOM 996 CZ PHE A 65 -9.670 -5.918 -18.068 1.00 75.25 C ATOM 0 H PHE A 65 -3.350 -3.645 -17.244 1.00 4.13 H new ATOM 0 HA PHE A 65 -5.327 -4.903 -15.437 1.00 15.14 H new ATOM 0 HB2 PHE A 65 -6.376 -2.947 -16.372 1.00 63.43 H new ATOM 0 HB3 PHE A 65 -5.727 -3.272 -17.967 1.00 63.43 H new ATOM 0 HD1 PHE A 65 -7.395 -5.630 -15.601 1.00 61.44 H new ATOM 0 HD2 PHE A 65 -7.616 -3.558 -19.316 1.00 43.55 H new ATOM 0 HE1 PHE A 65 -9.432 -6.879 -16.175 1.00 31.23 H new ATOM 0 HE2 PHE A 65 -9.654 -4.802 -19.890 1.00 54.22 H new ATOM 0 HZ PHE A 65 -10.566 -6.466 -18.320 1.00 75.25 H new ATOM 1006 N LEU A 66 -5.280 -7.012 -16.725 1.00 52.40 N ATOM 1007 CA LEU A 66 -5.160 -8.294 -17.411 1.00 31.14 C ATOM 1008 C LEU A 66 -6.535 -8.896 -17.683 1.00 72.30 C ATOM 1009 O LEU A 66 -7.381 -9.001 -16.794 1.00 51.12 O ATOM 1010 CB LEU A 66 -4.322 -9.264 -16.578 1.00 51.23 C ATOM 1011 CG LEU A 66 -2.965 -8.741 -16.103 1.00 63.32 C ATOM 1012 CD1 LEU A 66 -3.027 -8.353 -14.634 1.00 62.42 C ATOM 1013 CD2 LEU A 66 -1.881 -9.784 -16.336 1.00 64.14 C ATOM 0 H LEU A 66 -5.726 -7.064 -15.809 1.00 52.40 H new ATOM 0 HA LEU A 66 -4.663 -8.122 -18.366 1.00 31.14 H new ATOM 0 HB2 LEU A 66 -4.903 -9.556 -15.703 1.00 51.23 H new ATOM 0 HB3 LEU A 66 -4.156 -10.167 -17.166 1.00 51.23 H new ATOM 0 HG LEU A 66 -2.717 -7.852 -16.682 1.00 63.32 H new ATOM 0 HD11 LEU A 66 -2.053 -7.983 -14.314 1.00 62.42 H new ATOM 0 HD12 LEU A 66 -3.775 -7.572 -14.495 1.00 62.42 H new ATOM 0 HD13 LEU A 66 -3.298 -9.225 -14.039 1.00 62.42 H new ATOM 0 HD21 LEU A 66 -0.922 -9.395 -15.992 1.00 64.14 H new ATOM 0 HD22 LEU A 66 -2.124 -10.691 -15.783 1.00 64.14 H new ATOM 0 HD23 LEU A 66 -1.819 -10.013 -17.400 1.00 64.14 H new ATOM 1025 N PRO A 67 -6.765 -9.304 -18.941 1.00 3.12 N ATOM 1026 CA PRO A 67 -8.034 -9.906 -19.357 1.00 75.03 C ATOM 1027 C PRO A 67 -8.240 -11.296 -18.765 1.00 51.41 C ATOM 1028 O PRO A 67 -9.367 -11.699 -18.481 1.00 4.20 O ATOM 1029 CB PRO A 67 -7.904 -9.987 -20.881 1.00 61.42 C ATOM 1030 CG PRO A 67 -6.437 -10.037 -21.133 1.00 2.41 C ATOM 1031 CD PRO A 67 -5.802 -9.209 -20.050 1.00 62.00 C ATOM 0 HA PRO A 67 -8.891 -9.325 -19.018 1.00 75.03 H new ATOM 0 HB2 PRO A 67 -8.404 -10.872 -21.275 1.00 61.42 H new ATOM 0 HB3 PRO A 67 -8.360 -9.122 -21.364 1.00 61.42 H new ATOM 0 HG2 PRO A 67 -6.071 -11.063 -21.105 1.00 2.41 H new ATOM 0 HG3 PRO A 67 -6.197 -9.640 -22.119 1.00 2.41 H new ATOM 0 HD2 PRO A 67 -4.824 -9.598 -19.768 1.00 62.00 H new ATOM 0 HD3 PRO A 67 -5.655 -8.177 -20.367 1.00 62.00 H new ATOM 1039 N ALA A 68 -7.143 -12.023 -18.581 1.00 62.05 N ATOM 1040 CA ALA A 68 -7.203 -13.368 -18.021 1.00 5.21 C ATOM 1041 C ALA A 68 -5.823 -13.840 -17.579 1.00 44.14 C ATOM 1042 O ALA A 68 -5.002 -14.248 -18.402 1.00 55.31 O ATOM 1043 CB ALA A 68 -7.796 -14.336 -19.033 1.00 33.45 C ATOM 0 H ALA A 68 -6.202 -11.703 -18.811 1.00 62.05 H new ATOM 0 HA ALA A 68 -7.847 -13.340 -17.142 1.00 5.21 H new ATOM 0 HB1 ALA A 68 -7.834 -15.336 -18.601 1.00 33.45 H new ATOM 0 HB2 ALA A 68 -8.804 -14.015 -19.296 1.00 33.45 H new ATOM 0 HB3 ALA A 68 -7.175 -14.352 -19.929 1.00 33.45 H new ATOM 1049 N VAL A 69 -5.571 -13.783 -16.275 1.00 63.12 N ATOM 1050 CA VAL A 69 -4.289 -14.206 -15.724 1.00 72.24 C ATOM 1051 C VAL A 69 -4.154 -15.725 -15.750 1.00 42.42 C ATOM 1052 O VAL A 69 -4.942 -16.439 -15.131 1.00 63.53 O ATOM 1053 CB VAL A 69 -4.107 -13.710 -14.278 1.00 33.44 C ATOM 1054 CG1 VAL A 69 -3.942 -12.198 -14.248 1.00 61.51 C ATOM 1055 CG2 VAL A 69 -5.284 -14.143 -13.416 1.00 73.31 C ATOM 0 H VAL A 69 -6.238 -13.448 -15.580 1.00 63.12 H new ATOM 0 HA VAL A 69 -3.514 -13.764 -16.351 1.00 72.24 H new ATOM 0 HB VAL A 69 -3.201 -14.158 -13.870 1.00 33.44 H new ATOM 0 HG11 VAL A 69 -3.815 -11.866 -13.218 1.00 61.51 H new ATOM 0 HG12 VAL A 69 -3.065 -11.916 -14.831 1.00 61.51 H new ATOM 0 HG13 VAL A 69 -4.828 -11.727 -14.674 1.00 61.51 H new ATOM 0 HG21 VAL A 69 -5.140 -13.784 -12.397 1.00 73.31 H new ATOM 0 HG22 VAL A 69 -6.205 -13.724 -13.821 1.00 73.31 H new ATOM 0 HG23 VAL A 69 -5.351 -15.231 -13.412 1.00 73.31 H new ATOM 1065 N GLY A 70 -3.149 -16.212 -16.471 1.00 64.32 N ATOM 1066 CA GLY A 70 -2.928 -17.644 -16.563 1.00 73.23 C ATOM 1067 C GLY A 70 -2.058 -18.170 -15.439 1.00 31.53 C ATOM 1068 O GLY A 70 -1.340 -17.408 -14.792 1.00 10.33 O ATOM 0 H GLY A 70 -2.484 -15.641 -16.993 1.00 64.32 H new ATOM 0 HA2 GLY A 70 -3.889 -18.159 -16.546 1.00 73.23 H new ATOM 0 HA3 GLY A 70 -2.460 -17.875 -17.520 1.00 73.23 H new ATOM 1072 N ILE A 71 -2.123 -19.477 -15.206 1.00 30.14 N ATOM 1073 CA ILE A 71 -1.336 -20.103 -14.151 1.00 64.44 C ATOM 1074 C ILE A 71 0.149 -19.797 -14.318 1.00 24.31 C ATOM 1075 O ILE A 71 0.887 -19.708 -13.337 1.00 65.23 O ATOM 1076 CB ILE A 71 -1.533 -21.631 -14.132 1.00 54.32 C ATOM 1077 CG1 ILE A 71 -1.352 -22.174 -12.713 1.00 52.55 C ATOM 1078 CG2 ILE A 71 -0.562 -22.302 -15.091 1.00 61.42 C ATOM 1079 CD1 ILE A 71 -0.620 -23.496 -12.662 1.00 11.15 C ATOM 0 H ILE A 71 -2.712 -20.122 -15.733 1.00 30.14 H new ATOM 0 HA ILE A 71 -1.688 -19.687 -13.207 1.00 64.44 H new ATOM 0 HB ILE A 71 -2.548 -21.856 -14.459 1.00 54.32 H new ATOM 0 HG12 ILE A 71 -0.805 -21.442 -12.119 1.00 52.55 H new ATOM 0 HG13 ILE A 71 -2.332 -22.292 -12.250 1.00 52.55 H new ATOM 0 HG21 ILE A 71 -0.713 -23.381 -15.066 1.00 61.42 H new ATOM 0 HG22 ILE A 71 -0.737 -21.934 -16.102 1.00 61.42 H new ATOM 0 HG23 ILE A 71 0.461 -22.072 -14.793 1.00 61.42 H new ATOM 0 HD11 ILE A 71 -0.528 -23.821 -11.626 1.00 11.15 H new ATOM 0 HD12 ILE A 71 -1.177 -24.242 -13.228 1.00 11.15 H new ATOM 0 HD13 ILE A 71 0.373 -23.379 -13.095 1.00 11.15 H new ATOM 1091 N GLN A 72 0.578 -19.636 -15.565 1.00 11.55 N ATOM 1092 CA GLN A 72 1.975 -19.337 -15.860 1.00 3.04 C ATOM 1093 C GLN A 72 2.294 -17.875 -15.563 1.00 60.20 C ATOM 1094 O GLN A 72 3.451 -17.512 -15.353 1.00 34.11 O ATOM 1095 CB GLN A 72 2.288 -19.653 -17.323 1.00 2.52 C ATOM 1096 CG GLN A 72 2.406 -21.140 -17.613 1.00 25.44 C ATOM 1097 CD GLN A 72 3.822 -21.655 -17.453 1.00 65.31 C ATOM 1098 OE1 GLN A 72 4.216 -22.098 -16.373 1.00 34.41 O ATOM 1099 NE2 GLN A 72 4.598 -21.599 -18.529 1.00 62.42 N ATOM 0 H GLN A 72 -0.021 -19.707 -16.388 1.00 11.55 H new ATOM 0 HA GLN A 72 2.597 -19.962 -15.220 1.00 3.04 H new ATOM 0 HB2 GLN A 72 1.506 -19.230 -17.953 1.00 2.52 H new ATOM 0 HB3 GLN A 72 3.221 -19.162 -17.600 1.00 2.52 H new ATOM 0 HG2 GLN A 72 1.745 -21.690 -16.943 1.00 25.44 H new ATOM 0 HG3 GLN A 72 2.065 -21.336 -18.629 1.00 25.44 H new ATOM 0 HE21 GLN A 72 4.231 -21.224 -19.404 1.00 62.42 H new ATOM 0 HE22 GLN A 72 5.561 -21.931 -18.481 1.00 62.42 H new ATOM 1108 N ASP A 73 1.260 -17.041 -15.547 1.00 54.25 N ATOM 1109 CA ASP A 73 1.430 -15.619 -15.275 1.00 52.52 C ATOM 1110 C ASP A 73 1.670 -15.374 -13.789 1.00 13.23 C ATOM 1111 O ASP A 73 1.922 -14.245 -13.370 1.00 23.00 O ATOM 1112 CB ASP A 73 0.199 -14.838 -15.742 1.00 43.23 C ATOM 1113 CG ASP A 73 0.409 -14.180 -17.092 1.00 11.23 C ATOM 1114 OD1 ASP A 73 0.891 -14.864 -18.017 1.00 72.44 O ATOM 1115 OD2 ASP A 73 0.091 -12.979 -17.222 1.00 12.05 O ATOM 0 H ASP A 73 0.296 -17.325 -15.719 1.00 54.25 H new ATOM 0 HA ASP A 73 2.303 -15.271 -15.827 1.00 52.52 H new ATOM 0 HB2 ASP A 73 -0.656 -15.512 -15.799 1.00 43.23 H new ATOM 0 HB3 ASP A 73 -0.045 -14.075 -15.003 1.00 43.23 H new ATOM 1120 N GLU A 74 1.588 -16.439 -12.998 1.00 52.22 N ATOM 1121 CA GLU A 74 1.795 -16.339 -11.559 1.00 32.34 C ATOM 1122 C GLU A 74 3.185 -15.794 -11.245 1.00 52.33 C ATOM 1123 O GLU A 74 4.157 -16.115 -11.926 1.00 62.22 O ATOM 1124 CB GLU A 74 1.610 -17.707 -10.898 1.00 11.41 C ATOM 1125 CG GLU A 74 0.750 -17.667 -9.646 1.00 13.55 C ATOM 1126 CD GLU A 74 1.067 -18.795 -8.685 1.00 21.43 C ATOM 1127 OE1 GLU A 74 2.265 -19.088 -8.488 1.00 71.02 O ATOM 1128 OE2 GLU A 74 0.117 -19.386 -8.129 1.00 23.22 O ATOM 0 H GLU A 74 1.380 -17.381 -13.330 1.00 52.22 H new ATOM 0 HA GLU A 74 1.054 -15.647 -11.159 1.00 32.34 H new ATOM 0 HB2 GLU A 74 1.158 -18.390 -11.617 1.00 11.41 H new ATOM 0 HB3 GLU A 74 2.589 -18.113 -10.643 1.00 11.41 H new ATOM 0 HG2 GLU A 74 0.895 -16.712 -9.140 1.00 13.55 H new ATOM 0 HG3 GLU A 74 -0.301 -17.721 -9.930 1.00 13.55 H new ATOM 1135 N GLY A 75 3.269 -14.965 -10.209 1.00 2.53 N ATOM 1136 CA GLY A 75 4.544 -14.387 -9.823 1.00 15.23 C ATOM 1137 C GLY A 75 4.384 -13.073 -9.084 1.00 21.10 C ATOM 1138 O GLY A 75 3.424 -12.886 -8.336 1.00 53.34 O ATOM 0 H GLY A 75 2.478 -14.683 -9.630 1.00 2.53 H new ATOM 0 HA2 GLY A 75 5.083 -15.093 -9.191 1.00 15.23 H new ATOM 0 HA3 GLY A 75 5.152 -14.228 -10.714 1.00 15.23 H new ATOM 1142 N ILE A 76 5.328 -12.161 -9.292 1.00 11.21 N ATOM 1143 CA ILE A 76 5.288 -10.858 -8.640 1.00 20.11 C ATOM 1144 C ILE A 76 5.339 -9.729 -9.663 1.00 45.11 C ATOM 1145 O ILE A 76 6.155 -9.749 -10.585 1.00 72.44 O ATOM 1146 CB ILE A 76 6.453 -10.690 -7.647 1.00 23.23 C ATOM 1147 CG1 ILE A 76 6.510 -11.880 -6.686 1.00 75.33 C ATOM 1148 CG2 ILE A 76 6.308 -9.386 -6.876 1.00 74.42 C ATOM 1149 CD1 ILE A 76 7.731 -11.879 -5.793 1.00 55.34 C ATOM 0 H ILE A 76 6.130 -12.301 -9.907 1.00 11.21 H new ATOM 0 HA ILE A 76 4.346 -10.807 -8.094 1.00 20.11 H new ATOM 0 HB ILE A 76 7.387 -10.656 -8.208 1.00 23.23 H new ATOM 0 HG12 ILE A 76 5.615 -11.877 -6.064 1.00 75.33 H new ATOM 0 HG13 ILE A 76 6.493 -12.804 -7.264 1.00 75.33 H new ATOM 0 HG21 ILE A 76 7.139 -9.282 -6.178 1.00 74.42 H new ATOM 0 HG22 ILE A 76 6.313 -8.548 -7.574 1.00 74.42 H new ATOM 0 HG23 ILE A 76 5.369 -9.393 -6.323 1.00 74.42 H new ATOM 0 HD11 ILE A 76 7.704 -12.751 -5.139 1.00 55.34 H new ATOM 0 HD12 ILE A 76 8.631 -11.913 -6.407 1.00 55.34 H new ATOM 0 HD13 ILE A 76 7.739 -10.972 -5.188 1.00 55.34 H new ATOM 1161 N PHE A 77 4.465 -8.743 -9.493 1.00 70.12 N ATOM 1162 CA PHE A 77 4.411 -7.604 -10.401 1.00 61.12 C ATOM 1163 C PHE A 77 5.103 -6.389 -9.791 1.00 15.43 C ATOM 1164 O PHE A 77 4.963 -6.114 -8.599 1.00 75.44 O ATOM 1165 CB PHE A 77 2.958 -7.262 -10.739 1.00 21.03 C ATOM 1166 CG PHE A 77 2.271 -8.312 -11.562 1.00 35.51 C ATOM 1167 CD1 PHE A 77 2.018 -9.569 -11.035 1.00 44.33 C ATOM 1168 CD2 PHE A 77 1.876 -8.044 -12.863 1.00 31.13 C ATOM 1169 CE1 PHE A 77 1.387 -10.538 -11.792 1.00 13.24 C ATOM 1170 CE2 PHE A 77 1.243 -9.008 -13.624 1.00 34.21 C ATOM 1171 CZ PHE A 77 0.997 -10.257 -13.087 1.00 51.30 C ATOM 0 H PHE A 77 3.784 -8.710 -8.734 1.00 70.12 H new ATOM 0 HA PHE A 77 4.935 -7.876 -11.317 1.00 61.12 H new ATOM 0 HB2 PHE A 77 2.402 -7.117 -9.813 1.00 21.03 H new ATOM 0 HB3 PHE A 77 2.932 -6.315 -11.278 1.00 21.03 H new ATOM 0 HD1 PHE A 77 2.317 -9.794 -10.022 1.00 44.33 H new ATOM 0 HD2 PHE A 77 2.065 -7.069 -13.288 1.00 31.13 H new ATOM 0 HE1 PHE A 77 1.199 -11.515 -11.371 1.00 13.24 H new ATOM 0 HE2 PHE A 77 0.941 -8.786 -14.637 1.00 34.21 H new ATOM 0 HZ PHE A 77 0.501 -11.012 -13.679 1.00 51.30 H new ATOM 1181 N ARG A 78 5.851 -5.664 -10.617 1.00 64.40 N ATOM 1182 CA ARG A 78 6.567 -4.480 -10.159 1.00 61.24 C ATOM 1183 C ARG A 78 6.263 -3.281 -11.053 1.00 34.43 C ATOM 1184 O ARG A 78 6.032 -3.431 -12.254 1.00 12.24 O ATOM 1185 CB ARG A 78 8.073 -4.744 -10.139 1.00 23.22 C ATOM 1186 CG ARG A 78 8.443 -6.117 -9.600 1.00 43.41 C ATOM 1187 CD ARG A 78 8.933 -7.036 -10.708 1.00 43.24 C ATOM 1188 NE ARG A 78 10.026 -7.896 -10.262 1.00 43.54 N ATOM 1189 CZ ARG A 78 10.856 -8.519 -11.091 1.00 71.44 C ATOM 1190 NH1 ARG A 78 10.719 -8.378 -12.403 1.00 35.33 N ATOM 1191 NH2 ARG A 78 11.828 -9.285 -10.610 1.00 15.13 N ATOM 0 H ARG A 78 5.977 -5.876 -11.607 1.00 64.40 H new ATOM 0 HA ARG A 78 6.231 -4.253 -9.147 1.00 61.24 H new ATOM 0 HB2 ARG A 78 8.465 -4.643 -11.151 1.00 23.22 H new ATOM 0 HB3 ARG A 78 8.559 -3.981 -9.531 1.00 23.22 H new ATOM 0 HG2 ARG A 78 9.219 -6.014 -8.841 1.00 43.41 H new ATOM 0 HG3 ARG A 78 7.577 -6.563 -9.112 1.00 43.41 H new ATOM 0 HD2 ARG A 78 8.106 -7.653 -11.059 1.00 43.24 H new ATOM 0 HD3 ARG A 78 9.266 -6.437 -11.555 1.00 43.24 H new ATOM 0 HE ARG A 78 10.159 -8.025 -9.259 1.00 43.54 H new ATOM 0 HH11 ARG A 78 9.975 -7.790 -12.778 1.00 35.33 H new ATOM 0 HH12 ARG A 78 11.358 -8.858 -13.037 1.00 35.33 H new ATOM 0 HH21 ARG A 78 11.938 -9.396 -9.602 1.00 15.13 H new ATOM 0 HH22 ARG A 78 12.464 -9.763 -11.248 1.00 15.13 H new ATOM 1205 N CYS A 79 6.261 -2.092 -10.460 1.00 22.22 N ATOM 1206 CA CYS A 79 5.984 -0.867 -11.200 1.00 71.51 C ATOM 1207 C CYS A 79 7.067 0.178 -10.948 1.00 14.15 C ATOM 1208 O CYS A 79 7.672 0.212 -9.876 1.00 71.14 O ATOM 1209 CB CYS A 79 4.616 -0.307 -10.806 1.00 41.32 C ATOM 1210 SG CYS A 79 4.670 1.390 -10.148 1.00 3.44 S ATOM 0 H CYS A 79 6.448 -1.951 -9.467 1.00 22.22 H new ATOM 0 HA CYS A 79 5.978 -1.108 -12.263 1.00 71.51 H new ATOM 0 HB2 CYS A 79 3.962 -0.327 -11.678 1.00 41.32 H new ATOM 0 HB3 CYS A 79 4.169 -0.962 -10.058 1.00 41.32 H new ATOM 1215 N GLN A 80 7.304 1.028 -11.941 1.00 31.02 N ATOM 1216 CA GLN A 80 8.313 2.075 -11.825 1.00 53.05 C ATOM 1217 C GLN A 80 7.825 3.373 -12.459 1.00 43.31 C ATOM 1218 O GLN A 80 7.415 3.394 -13.619 1.00 12.03 O ATOM 1219 CB GLN A 80 9.618 1.628 -12.488 1.00 14.30 C ATOM 1220 CG GLN A 80 10.830 2.432 -12.045 1.00 71.55 C ATOM 1221 CD GLN A 80 11.825 2.654 -13.167 1.00 54.24 C ATOM 1222 OE1 GLN A 80 11.506 3.280 -14.179 1.00 11.31 O ATOM 1223 NE2 GLN A 80 13.037 2.141 -12.996 1.00 32.34 N ATOM 0 H GLN A 80 6.812 1.013 -12.834 1.00 31.02 H new ATOM 0 HA GLN A 80 8.495 2.256 -10.766 1.00 53.05 H new ATOM 0 HB2 GLN A 80 9.788 0.575 -12.263 1.00 14.30 H new ATOM 0 HB3 GLN A 80 9.513 1.710 -13.570 1.00 14.30 H new ATOM 0 HG2 GLN A 80 10.500 3.397 -11.661 1.00 71.55 H new ATOM 0 HG3 GLN A 80 11.324 1.914 -11.223 1.00 71.55 H new ATOM 0 HE21 GLN A 80 13.258 1.629 -12.142 1.00 32.34 H new ATOM 0 HE22 GLN A 80 13.747 2.258 -13.719 1.00 32.34 H new ATOM 1232 N ALA A 81 7.874 4.455 -11.689 1.00 54.52 N ATOM 1233 CA ALA A 81 7.438 5.759 -12.176 1.00 22.40 C ATOM 1234 C ALA A 81 8.458 6.840 -11.836 1.00 44.22 C ATOM 1235 O ALA A 81 9.321 6.646 -10.981 1.00 25.21 O ATOM 1236 CB ALA A 81 6.077 6.113 -11.594 1.00 65.41 C ATOM 0 H ALA A 81 8.211 4.455 -10.726 1.00 54.52 H new ATOM 0 HA ALA A 81 7.353 5.704 -13.261 1.00 22.40 H new ATOM 0 HB1 ALA A 81 5.765 7.089 -11.966 1.00 65.41 H new ATOM 0 HB2 ALA A 81 5.347 5.360 -11.892 1.00 65.41 H new ATOM 0 HB3 ALA A 81 6.143 6.144 -10.506 1.00 65.41 H new ATOM 1242 N MET A 82 8.353 7.980 -12.512 1.00 1.15 N ATOM 1243 CA MET A 82 9.266 9.093 -12.280 1.00 23.23 C ATOM 1244 C MET A 82 8.496 10.390 -12.050 1.00 23.12 C ATOM 1245 O MET A 82 7.680 10.792 -12.878 1.00 22.12 O ATOM 1246 CB MET A 82 10.218 9.254 -13.466 1.00 44.20 C ATOM 1247 CG MET A 82 11.317 8.204 -13.511 1.00 70.23 C ATOM 1248 SD MET A 82 12.428 8.299 -12.094 1.00 52.23 S ATOM 1249 CE MET A 82 12.841 10.042 -12.104 1.00 55.11 C ATOM 0 H MET A 82 7.645 8.157 -13.225 1.00 1.15 H new ATOM 0 HA MET A 82 9.847 8.874 -11.384 1.00 23.23 H new ATOM 0 HB2 MET A 82 9.644 9.207 -14.391 1.00 44.20 H new ATOM 0 HB3 MET A 82 10.674 10.243 -13.424 1.00 44.20 H new ATOM 0 HG2 MET A 82 10.865 7.213 -13.548 1.00 70.23 H new ATOM 0 HG3 MET A 82 11.893 8.326 -14.428 1.00 70.23 H new ATOM 0 HE1 MET A 82 13.844 10.181 -11.700 1.00 55.11 H new ATOM 0 HE2 MET A 82 12.806 10.418 -13.126 1.00 55.11 H new ATOM 0 HE3 MET A 82 12.125 10.589 -11.491 1.00 55.11 H new ATOM 1259 N ASN A 83 8.764 11.039 -10.921 1.00 54.01 N ATOM 1260 CA ASN A 83 8.094 12.291 -10.584 1.00 63.43 C ATOM 1261 C ASN A 83 8.845 13.484 -11.167 1.00 24.52 C ATOM 1262 O ASN A 83 9.944 13.337 -11.703 1.00 71.24 O ATOM 1263 CB ASN A 83 7.981 12.438 -9.065 1.00 32.31 C ATOM 1264 CG ASN A 83 7.484 11.170 -8.396 1.00 43.02 C ATOM 1265 OD1 ASN A 83 8.184 10.572 -7.579 1.00 2.11 O ATOM 1266 ND2 ASN A 83 6.271 10.755 -8.742 1.00 61.41 N ATOM 0 H ASN A 83 9.439 10.720 -10.226 1.00 54.01 H new ATOM 0 HA ASN A 83 7.094 12.268 -11.017 1.00 63.43 H new ATOM 0 HB2 ASN A 83 8.955 12.704 -8.655 1.00 32.31 H new ATOM 0 HB3 ASN A 83 7.302 13.258 -8.832 1.00 32.31 H new ATOM 0 HD21 ASN A 83 5.884 9.908 -8.326 1.00 61.41 H new ATOM 0 HD22 ASN A 83 5.727 11.283 -9.424 1.00 61.41 H new ATOM 1273 N ARG A 84 8.246 14.664 -11.056 1.00 45.34 N ATOM 1274 CA ARG A 84 8.858 15.883 -11.572 1.00 40.43 C ATOM 1275 C ARG A 84 10.056 16.293 -10.722 1.00 32.40 C ATOM 1276 O ARG A 84 10.939 17.015 -11.182 1.00 53.33 O ATOM 1277 CB ARG A 84 7.832 17.018 -11.609 1.00 62.33 C ATOM 1278 CG ARG A 84 8.245 18.182 -12.494 1.00 52.21 C ATOM 1279 CD ARG A 84 7.960 17.896 -13.961 1.00 24.33 C ATOM 1280 NE ARG A 84 8.019 19.105 -14.776 1.00 55.24 N ATOM 1281 CZ ARG A 84 7.509 19.192 -16.000 1.00 74.30 C ATOM 1282 NH1 ARG A 84 6.906 18.145 -16.546 1.00 13.21 N ATOM 1283 NH2 ARG A 84 7.601 20.327 -16.680 1.00 2.50 N ATOM 0 H ARG A 84 7.338 14.803 -10.614 1.00 45.34 H new ATOM 0 HA ARG A 84 9.206 15.684 -12.586 1.00 40.43 H new ATOM 0 HB2 ARG A 84 6.879 16.624 -11.962 1.00 62.33 H new ATOM 0 HB3 ARG A 84 7.670 17.383 -10.595 1.00 62.33 H new ATOM 0 HG2 ARG A 84 7.711 19.081 -12.187 1.00 52.21 H new ATOM 0 HG3 ARG A 84 9.308 18.382 -12.361 1.00 52.21 H new ATOM 0 HD2 ARG A 84 8.682 17.171 -14.336 1.00 24.33 H new ATOM 0 HD3 ARG A 84 6.974 17.442 -14.057 1.00 24.33 H new ATOM 0 HE ARG A 84 8.477 19.928 -14.385 1.00 55.24 H new ATOM 0 HH11 ARG A 84 6.833 17.270 -16.026 1.00 13.21 H new ATOM 0 HH12 ARG A 84 6.515 18.214 -17.486 1.00 13.21 H new ATOM 0 HH21 ARG A 84 8.064 21.135 -16.264 1.00 2.50 H new ATOM 0 HH22 ARG A 84 7.209 20.392 -17.619 1.00 2.50 H new ATOM 1297 N ASN A 85 10.078 15.827 -9.477 1.00 23.02 N ATOM 1298 CA ASN A 85 11.167 16.146 -8.560 1.00 74.13 C ATOM 1299 C ASN A 85 12.428 15.367 -8.922 1.00 44.44 C ATOM 1300 O ASN A 85 13.534 15.742 -8.535 1.00 31.13 O ATOM 1301 CB ASN A 85 10.758 15.835 -7.120 1.00 34.51 C ATOM 1302 CG ASN A 85 9.704 16.793 -6.598 1.00 64.44 C ATOM 1303 OD1 ASN A 85 8.564 16.403 -6.347 1.00 71.23 O ATOM 1304 ND2 ASN A 85 10.083 18.055 -6.433 1.00 13.41 N ATOM 0 H ASN A 85 9.354 15.227 -9.080 1.00 23.02 H new ATOM 0 HA ASN A 85 11.381 17.211 -8.647 1.00 74.13 H new ATOM 0 HB2 ASN A 85 10.377 14.815 -7.066 1.00 34.51 H new ATOM 0 HB3 ASN A 85 11.637 15.881 -6.477 1.00 34.51 H new ATOM 0 HD21 ASN A 85 9.418 18.746 -6.085 1.00 13.41 H new ATOM 0 HD22 ASN A 85 11.039 18.333 -6.654 1.00 13.41 H new ATOM 1311 N GLY A 86 12.253 14.281 -9.669 1.00 2.12 N ATOM 1312 CA GLY A 86 13.384 13.466 -10.070 1.00 40.31 C ATOM 1313 C GLY A 86 13.446 12.150 -9.323 1.00 23.33 C ATOM 1314 O GLY A 86 14.317 11.318 -9.582 1.00 11.42 O ATOM 0 H GLY A 86 11.348 13.951 -10.003 1.00 2.12 H new ATOM 0 HA2 GLY A 86 13.325 13.270 -11.141 1.00 40.31 H new ATOM 0 HA3 GLY A 86 14.306 14.021 -9.898 1.00 40.31 H new ATOM 1318 N LYS A 87 12.521 11.958 -8.388 1.00 73.51 N ATOM 1319 CA LYS A 87 12.472 10.733 -7.599 1.00 22.31 C ATOM 1320 C LYS A 87 11.704 9.641 -8.335 1.00 53.02 C ATOM 1321 O LYS A 87 10.781 9.925 -9.098 1.00 62.01 O ATOM 1322 CB LYS A 87 11.821 11.003 -6.240 1.00 54.42 C ATOM 1323 CG LYS A 87 12.814 11.361 -5.149 1.00 51.23 C ATOM 1324 CD LYS A 87 12.260 12.425 -4.218 1.00 5.43 C ATOM 1325 CE LYS A 87 12.177 13.780 -4.905 1.00 3.30 C ATOM 1326 NZ LYS A 87 12.424 14.900 -3.955 1.00 11.41 N ATOM 0 H LYS A 87 11.795 12.636 -8.158 1.00 73.51 H new ATOM 0 HA LYS A 87 13.495 10.390 -7.443 1.00 22.31 H new ATOM 0 HB2 LYS A 87 11.102 11.816 -6.346 1.00 54.42 H new ATOM 0 HB3 LYS A 87 11.260 10.120 -5.934 1.00 54.42 H new ATOM 0 HG2 LYS A 87 13.063 10.468 -4.575 1.00 51.23 H new ATOM 0 HG3 LYS A 87 13.739 11.718 -5.601 1.00 51.23 H new ATOM 0 HD2 LYS A 87 11.269 12.129 -3.875 1.00 5.43 H new ATOM 0 HD3 LYS A 87 12.894 12.502 -3.334 1.00 5.43 H new ATOM 0 HE2 LYS A 87 12.907 13.822 -5.714 1.00 3.30 H new ATOM 0 HE3 LYS A 87 11.192 13.898 -5.357 1.00 3.30 H new ATOM 0 HZ1 LYS A 87 12.038 15.781 -4.350 1.00 11.41 H new ATOM 0 HZ2 LYS A 87 11.960 14.694 -3.048 1.00 11.41 H new ATOM 0 HZ3 LYS A 87 13.447 15.007 -3.804 1.00 11.41 H new ATOM 1340 N GLU A 88 12.089 8.390 -8.099 1.00 72.11 N ATOM 1341 CA GLU A 88 11.435 7.256 -8.740 1.00 35.42 C ATOM 1342 C GLU A 88 10.486 6.556 -7.771 1.00 23.11 C ATOM 1343 O GLU A 88 10.782 6.420 -6.583 1.00 2.33 O ATOM 1344 CB GLU A 88 12.477 6.263 -9.258 1.00 24.41 C ATOM 1345 CG GLU A 88 11.880 5.104 -10.037 1.00 32.51 C ATOM 1346 CD GLU A 88 12.342 5.071 -11.481 1.00 12.32 C ATOM 1347 OE1 GLU A 88 13.529 4.768 -11.718 1.00 64.41 O ATOM 1348 OE2 GLU A 88 11.514 5.349 -12.375 1.00 25.35 O ATOM 0 H GLU A 88 12.850 8.137 -7.469 1.00 72.11 H new ATOM 0 HA GLU A 88 10.854 7.633 -9.582 1.00 35.42 H new ATOM 0 HB2 GLU A 88 13.185 6.792 -9.896 1.00 24.41 H new ATOM 0 HB3 GLU A 88 13.042 5.869 -8.413 1.00 24.41 H new ATOM 0 HG2 GLU A 88 12.151 4.167 -9.551 1.00 32.51 H new ATOM 0 HG3 GLU A 88 10.793 5.174 -10.009 1.00 32.51 H new ATOM 1355 N THR A 89 9.344 6.112 -8.287 1.00 11.13 N ATOM 1356 CA THR A 89 8.351 5.427 -7.468 1.00 51.54 C ATOM 1357 C THR A 89 8.364 3.926 -7.729 1.00 60.11 C ATOM 1358 O THR A 89 8.197 3.481 -8.866 1.00 23.21 O ATOM 1359 CB THR A 89 6.935 5.971 -7.732 1.00 34.32 C ATOM 1360 OG1 THR A 89 6.957 6.883 -8.836 1.00 22.25 O ATOM 1361 CG2 THR A 89 6.385 6.671 -6.499 1.00 31.42 C ATOM 0 H THR A 89 9.084 6.214 -9.268 1.00 11.13 H new ATOM 0 HA THR A 89 8.616 5.614 -6.427 1.00 51.54 H new ATOM 0 HB THR A 89 6.286 5.129 -7.971 1.00 34.32 H new ATOM 0 HG1 THR A 89 6.161 7.454 -8.804 1.00 22.25 H new ATOM 0 HG21 THR A 89 5.384 7.047 -6.710 1.00 31.42 H new ATOM 0 HG22 THR A 89 6.340 5.965 -5.670 1.00 31.42 H new ATOM 0 HG23 THR A 89 7.036 7.503 -6.232 1.00 31.42 H new ATOM 1369 N LYS A 90 8.563 3.147 -6.671 1.00 24.03 N ATOM 1370 CA LYS A 90 8.596 1.694 -6.785 1.00 34.15 C ATOM 1371 C LYS A 90 7.353 1.071 -6.157 1.00 40.21 C ATOM 1372 O LYS A 90 6.873 1.529 -5.120 1.00 52.25 O ATOM 1373 CB LYS A 90 9.853 1.137 -6.113 1.00 32.15 C ATOM 1374 CG LYS A 90 11.055 1.060 -7.039 1.00 13.11 C ATOM 1375 CD LYS A 90 11.357 2.407 -7.673 1.00 12.22 C ATOM 1376 CE LYS A 90 11.690 3.456 -6.623 1.00 31.42 C ATOM 1377 NZ LYS A 90 12.929 3.114 -5.871 1.00 54.33 N ATOM 0 H LYS A 90 8.704 3.498 -5.724 1.00 24.03 H new ATOM 0 HA LYS A 90 8.614 1.438 -7.844 1.00 34.15 H new ATOM 0 HB2 LYS A 90 10.104 1.763 -5.256 1.00 32.15 H new ATOM 0 HB3 LYS A 90 9.637 0.140 -5.728 1.00 32.15 H new ATOM 0 HG2 LYS A 90 11.925 0.717 -6.479 1.00 13.11 H new ATOM 0 HG3 LYS A 90 10.867 0.323 -7.820 1.00 13.11 H new ATOM 0 HD2 LYS A 90 12.193 2.305 -8.365 1.00 12.22 H new ATOM 0 HD3 LYS A 90 10.498 2.736 -8.258 1.00 12.22 H new ATOM 0 HE2 LYS A 90 11.814 4.426 -7.105 1.00 31.42 H new ATOM 0 HE3 LYS A 90 10.857 3.550 -5.927 1.00 31.42 H new ATOM 0 HZ1 LYS A 90 13.226 3.931 -5.301 1.00 54.33 H new ATOM 0 HZ2 LYS A 90 12.743 2.304 -5.245 1.00 54.33 H new ATOM 0 HZ3 LYS A 90 13.685 2.867 -6.541 1.00 54.33 H new ATOM 1391 N SER A 91 6.837 0.023 -6.791 1.00 53.05 N ATOM 1392 CA SER A 91 5.649 -0.662 -6.297 1.00 1.15 C ATOM 1393 C SER A 91 5.706 -2.152 -6.618 1.00 22.22 C ATOM 1394 O SER A 91 5.886 -2.542 -7.771 1.00 73.42 O ATOM 1395 CB SER A 91 4.388 -0.045 -6.906 1.00 30.24 C ATOM 1396 OG SER A 91 4.352 1.356 -6.695 1.00 61.44 O ATOM 0 H SER A 91 7.224 -0.370 -7.649 1.00 53.05 H new ATOM 0 HA SER A 91 5.617 -0.543 -5.214 1.00 1.15 H new ATOM 0 HB2 SER A 91 4.356 -0.256 -7.975 1.00 30.24 H new ATOM 0 HB3 SER A 91 3.504 -0.505 -6.464 1.00 30.24 H new ATOM 0 HG SER A 91 4.443 1.819 -7.554 1.00 61.44 H new ATOM 1402 N ASN A 92 5.553 -2.979 -5.589 1.00 33.22 N ATOM 1403 CA ASN A 92 5.588 -4.427 -5.761 1.00 40.01 C ATOM 1404 C ASN A 92 4.267 -5.058 -5.330 1.00 64.44 C ATOM 1405 O ASN A 92 3.810 -4.858 -4.204 1.00 73.15 O ATOM 1406 CB ASN A 92 6.741 -5.030 -4.955 1.00 2.22 C ATOM 1407 CG ASN A 92 7.135 -6.407 -5.452 1.00 43.40 C ATOM 1408 OD1 ASN A 92 7.055 -7.391 -4.716 1.00 42.02 O ATOM 1409 ND2 ASN A 92 7.565 -6.483 -6.706 1.00 13.21 N ATOM 0 H ASN A 92 5.404 -2.672 -4.628 1.00 33.22 H new ATOM 0 HA ASN A 92 5.744 -4.638 -6.819 1.00 40.01 H new ATOM 0 HB2 ASN A 92 7.604 -4.367 -5.009 1.00 2.22 H new ATOM 0 HB3 ASN A 92 6.453 -5.094 -3.906 1.00 2.22 H new ATOM 0 HD21 ASN A 92 7.845 -7.383 -7.095 1.00 13.21 H new ATOM 0 HD22 ASN A 92 7.615 -5.641 -7.280 1.00 13.21 H new ATOM 1416 N TYR A 93 3.660 -5.821 -6.233 1.00 2.22 N ATOM 1417 CA TYR A 93 2.391 -6.480 -5.947 1.00 24.31 C ATOM 1418 C TYR A 93 2.471 -7.971 -6.256 1.00 75.45 C ATOM 1419 O TYR A 93 2.723 -8.368 -7.395 1.00 22.22 O ATOM 1420 CB TYR A 93 1.266 -5.838 -6.758 1.00 13.03 C ATOM 1421 CG TYR A 93 0.804 -4.507 -6.207 1.00 34.41 C ATOM 1422 CD1 TYR A 93 1.666 -3.421 -6.147 1.00 42.54 C ATOM 1423 CD2 TYR A 93 -0.496 -4.339 -5.745 1.00 55.42 C ATOM 1424 CE1 TYR A 93 1.250 -2.204 -5.644 1.00 13.35 C ATOM 1425 CE2 TYR A 93 -0.922 -3.125 -5.241 1.00 34.30 C ATOM 1426 CZ TYR A 93 -0.047 -2.061 -5.192 1.00 43.14 C ATOM 1427 OH TYR A 93 -0.466 -0.850 -4.691 1.00 70.30 O ATOM 0 H TYR A 93 4.026 -5.998 -7.168 1.00 2.22 H new ATOM 0 HA TYR A 93 2.178 -6.359 -4.885 1.00 24.31 H new ATOM 0 HB2 TYR A 93 1.604 -5.699 -7.785 1.00 13.03 H new ATOM 0 HB3 TYR A 93 0.418 -6.522 -6.791 1.00 13.03 H new ATOM 0 HD1 TYR A 93 2.681 -3.530 -6.500 1.00 42.54 H new ATOM 0 HD2 TYR A 93 -1.184 -5.171 -5.780 1.00 55.42 H new ATOM 0 HE1 TYR A 93 1.935 -1.370 -5.604 1.00 13.35 H new ATOM 0 HE2 TYR A 93 -1.936 -3.010 -4.887 1.00 34.30 H new ATOM 0 HH TYR A 93 -1.405 -0.916 -4.417 1.00 70.30 H new ATOM 1437 N ARG A 94 2.253 -8.794 -5.236 1.00 43.41 N ATOM 1438 CA ARG A 94 2.300 -10.242 -5.398 1.00 22.32 C ATOM 1439 C ARG A 94 0.968 -10.774 -5.921 1.00 41.31 C ATOM 1440 O ARG A 94 -0.095 -10.429 -5.406 1.00 50.01 O ATOM 1441 CB ARG A 94 2.642 -10.915 -4.067 1.00 42.03 C ATOM 1442 CG ARG A 94 3.851 -10.310 -3.372 1.00 50.42 C ATOM 1443 CD ARG A 94 3.509 -9.840 -1.967 1.00 60.44 C ATOM 1444 NE ARG A 94 4.543 -10.203 -1.002 1.00 51.05 N ATOM 1445 CZ ARG A 94 4.636 -11.403 -0.440 1.00 53.33 C ATOM 1446 NH1 ARG A 94 3.761 -12.351 -0.746 1.00 14.42 N ATOM 1447 NH2 ARG A 94 5.605 -11.657 0.429 1.00 22.54 N ATOM 0 H ARG A 94 2.042 -8.483 -4.288 1.00 43.41 H new ATOM 0 HA ARG A 94 3.077 -10.476 -6.126 1.00 22.32 H new ATOM 0 HB2 ARG A 94 1.780 -10.847 -3.403 1.00 42.03 H new ATOM 0 HB3 ARG A 94 2.827 -11.975 -4.242 1.00 42.03 H new ATOM 0 HG2 ARG A 94 4.652 -11.048 -3.325 1.00 50.42 H new ATOM 0 HG3 ARG A 94 4.225 -9.470 -3.957 1.00 50.42 H new ATOM 0 HD2 ARG A 94 3.378 -8.758 -1.968 1.00 60.44 H new ATOM 0 HD3 ARG A 94 2.558 -10.276 -1.660 1.00 60.44 H new ATOM 0 HE ARG A 94 5.232 -9.496 -0.745 1.00 51.05 H new ATOM 0 HH11 ARG A 94 3.015 -12.160 -1.414 1.00 14.42 H new ATOM 0 HH12 ARG A 94 3.834 -13.272 -0.313 1.00 14.42 H new ATOM 0 HH21 ARG A 94 6.280 -10.930 0.667 1.00 22.54 H new ATOM 0 HH22 ARG A 94 5.675 -12.579 0.860 1.00 22.54 H new ATOM 1461 N VAL A 95 1.036 -11.616 -6.948 1.00 12.24 N ATOM 1462 CA VAL A 95 -0.163 -12.195 -7.541 1.00 31.33 C ATOM 1463 C VAL A 95 -0.069 -13.716 -7.596 1.00 24.31 C ATOM 1464 O VAL A 95 0.976 -14.272 -7.937 1.00 15.31 O ATOM 1465 CB VAL A 95 -0.404 -11.656 -8.963 1.00 52.24 C ATOM 1466 CG1 VAL A 95 -1.543 -12.407 -9.633 1.00 53.34 C ATOM 1467 CG2 VAL A 95 -0.688 -10.162 -8.924 1.00 75.24 C ATOM 0 H VAL A 95 1.908 -11.912 -7.386 1.00 12.24 H new ATOM 0 HA VAL A 95 -1.000 -11.907 -6.905 1.00 31.33 H new ATOM 0 HB VAL A 95 0.499 -11.816 -9.552 1.00 52.24 H new ATOM 0 HG11 VAL A 95 -1.698 -12.012 -10.637 1.00 53.34 H new ATOM 0 HG12 VAL A 95 -1.294 -13.466 -9.694 1.00 53.34 H new ATOM 0 HG13 VAL A 95 -2.455 -12.282 -9.049 1.00 53.34 H new ATOM 0 HG21 VAL A 95 -0.856 -9.797 -9.937 1.00 75.24 H new ATOM 0 HG22 VAL A 95 -1.576 -9.976 -8.319 1.00 75.24 H new ATOM 0 HG23 VAL A 95 0.164 -9.641 -8.487 1.00 75.24 H new ATOM 1477 N ARG A 96 -1.166 -14.384 -7.257 1.00 34.23 N ATOM 1478 CA ARG A 96 -1.207 -15.842 -7.266 1.00 1.33 C ATOM 1479 C ARG A 96 -2.432 -16.346 -8.025 1.00 71.23 C ATOM 1480 O ARG A 96 -3.452 -15.662 -8.103 1.00 51.32 O ATOM 1481 CB ARG A 96 -1.223 -16.382 -5.835 1.00 32.00 C ATOM 1482 CG ARG A 96 -0.070 -17.324 -5.527 1.00 45.23 C ATOM 1483 CD ARG A 96 1.274 -16.629 -5.689 1.00 72.52 C ATOM 1484 NE ARG A 96 1.505 -15.634 -4.646 1.00 33.40 N ATOM 1485 CZ ARG A 96 2.710 -15.191 -4.306 1.00 13.10 C ATOM 1486 NH1 ARG A 96 3.788 -15.653 -4.924 1.00 55.04 N ATOM 1487 NH2 ARG A 96 2.839 -14.283 -3.347 1.00 31.30 N ATOM 0 H ARG A 96 -2.039 -13.939 -6.973 1.00 34.23 H new ATOM 0 HA ARG A 96 -0.312 -16.203 -7.773 1.00 1.33 H new ATOM 0 HB2 ARG A 96 -1.192 -15.544 -5.139 1.00 32.00 H new ATOM 0 HB3 ARG A 96 -2.164 -16.905 -5.663 1.00 32.00 H new ATOM 0 HG2 ARG A 96 -0.167 -17.699 -4.508 1.00 45.23 H new ATOM 0 HG3 ARG A 96 -0.117 -18.188 -6.190 1.00 45.23 H new ATOM 0 HD2 ARG A 96 2.071 -17.372 -5.664 1.00 72.52 H new ATOM 0 HD3 ARG A 96 1.317 -16.147 -6.666 1.00 72.52 H new ATOM 0 HE ARG A 96 0.696 -15.258 -4.151 1.00 33.40 H new ATOM 0 HH11 ARG A 96 3.693 -16.350 -5.662 1.00 55.04 H new ATOM 0 HH12 ARG A 96 4.712 -15.311 -4.661 1.00 55.04 H new ATOM 0 HH21 ARG A 96 2.012 -13.924 -2.870 1.00 31.30 H new ATOM 0 HH22 ARG A 96 3.765 -13.944 -3.087 1.00 31.30 H new ATOM 1501 N VAL A 97 -2.322 -17.548 -8.583 1.00 4.25 N ATOM 1502 CA VAL A 97 -3.420 -18.145 -9.335 1.00 4.24 C ATOM 1503 C VAL A 97 -3.961 -19.383 -8.629 1.00 3.41 C ATOM 1504 O VAL A 97 -3.526 -19.721 -7.528 1.00 35.14 O ATOM 1505 CB VAL A 97 -2.979 -18.531 -10.759 1.00 11.42 C ATOM 1506 CG1 VAL A 97 -2.499 -17.305 -11.521 1.00 11.44 C ATOM 1507 CG2 VAL A 97 -1.894 -19.597 -10.711 1.00 12.51 C ATOM 0 H VAL A 97 -1.484 -18.127 -8.528 1.00 4.25 H new ATOM 0 HA VAL A 97 -4.207 -17.393 -9.397 1.00 4.24 H new ATOM 0 HB VAL A 97 -3.839 -18.944 -11.287 1.00 11.42 H new ATOM 0 HG11 VAL A 97 -2.192 -17.598 -12.525 1.00 11.44 H new ATOM 0 HG12 VAL A 97 -3.308 -16.578 -11.587 1.00 11.44 H new ATOM 0 HG13 VAL A 97 -1.653 -16.860 -10.998 1.00 11.44 H new ATOM 0 HG21 VAL A 97 -1.595 -19.857 -11.726 1.00 12.51 H new ATOM 0 HG22 VAL A 97 -1.032 -19.214 -10.165 1.00 12.51 H new ATOM 0 HG23 VAL A 97 -2.278 -20.484 -10.207 1.00 12.51 H new ATOM 1517 N TYR A 98 -4.910 -20.055 -9.270 1.00 22.01 N ATOM 1518 CA TYR A 98 -5.512 -21.256 -8.703 1.00 2.50 C ATOM 1519 C TYR A 98 -4.489 -22.382 -8.601 1.00 30.20 C ATOM 1520 O TYR A 98 -3.952 -22.652 -7.527 1.00 12.12 O ATOM 1521 CB TYR A 98 -6.701 -21.706 -9.554 1.00 44.40 C ATOM 1522 CG TYR A 98 -7.305 -23.017 -9.104 1.00 41.22 C ATOM 1523 CD1 TYR A 98 -7.821 -23.162 -7.822 1.00 34.10 C ATOM 1524 CD2 TYR A 98 -7.358 -24.110 -9.959 1.00 53.01 C ATOM 1525 CE1 TYR A 98 -8.374 -24.359 -7.406 1.00 53.34 C ATOM 1526 CE2 TYR A 98 -7.910 -25.309 -9.554 1.00 24.44 C ATOM 1527 CZ TYR A 98 -8.416 -25.429 -8.275 1.00 12.30 C ATOM 1528 OH TYR A 98 -8.966 -26.622 -7.867 1.00 22.02 O ATOM 0 H TYR A 98 -5.279 -19.789 -10.183 1.00 22.01 H new ATOM 0 HA TYR A 98 -5.863 -21.017 -7.699 1.00 2.50 H new ATOM 0 HB2 TYR A 98 -7.469 -20.933 -9.527 1.00 44.40 H new ATOM 0 HB3 TYR A 98 -6.380 -21.800 -10.591 1.00 44.40 H new ATOM 0 HD1 TYR A 98 -7.790 -22.326 -7.139 1.00 34.10 H new ATOM 0 HD2 TYR A 98 -6.960 -24.021 -10.959 1.00 53.01 H new ATOM 0 HE1 TYR A 98 -8.771 -24.455 -6.406 1.00 53.34 H new ATOM 0 HE2 TYR A 98 -7.946 -26.148 -10.233 1.00 24.44 H new ATOM 0 HH TYR A 98 -8.918 -27.272 -8.599 1.00 22.02 H new ATOM 1538 N GLN A 99 -4.224 -23.036 -9.727 1.00 41.42 N ATOM 1539 CA GLN A 99 -3.266 -24.134 -9.766 1.00 61.10 C ATOM 1540 C GLN A 99 -1.854 -23.635 -9.474 1.00 13.43 C ATOM 1541 O GLN A 99 -1.486 -22.526 -9.860 1.00 54.22 O ATOM 1542 CB GLN A 99 -3.303 -24.824 -11.130 1.00 30.33 C ATOM 1543 CG GLN A 99 -2.377 -26.025 -11.230 1.00 62.33 C ATOM 1544 CD GLN A 99 -2.684 -27.088 -10.194 1.00 24.24 C ATOM 1545 OE1 GLN A 99 -1.781 -27.626 -9.553 1.00 62.21 O ATOM 1546 NE2 GLN A 99 -3.964 -27.395 -10.023 1.00 22.23 N ATOM 0 H GLN A 99 -4.660 -22.824 -10.625 1.00 41.42 H new ATOM 0 HA GLN A 99 -3.545 -24.853 -8.996 1.00 61.10 H new ATOM 0 HB2 GLN A 99 -4.324 -25.145 -11.338 1.00 30.33 H new ATOM 0 HB3 GLN A 99 -3.032 -24.102 -11.900 1.00 30.33 H new ATOM 0 HG2 GLN A 99 -2.459 -26.460 -12.226 1.00 62.33 H new ATOM 0 HG3 GLN A 99 -1.345 -25.694 -11.110 1.00 62.33 H new ATOM 0 HE21 GLN A 99 -4.680 -26.924 -10.576 1.00 22.23 H new ATOM 0 HE22 GLN A 99 -4.232 -28.102 -9.338 1.00 22.23 H new ATOM 1555 N ILE A 100 -1.070 -24.460 -8.790 1.00 20.32 N ATOM 1556 CA ILE A 100 0.301 -24.102 -8.448 1.00 22.34 C ATOM 1557 C ILE A 100 1.292 -25.112 -9.018 1.00 61.13 C ATOM 1558 O ILE A 100 0.943 -26.247 -9.341 1.00 33.40 O ATOM 1559 CB ILE A 100 0.496 -24.016 -6.922 1.00 14.03 C ATOM 1560 CG1 ILE A 100 -0.631 -24.756 -6.199 1.00 4.23 C ATOM 1561 CG2 ILE A 100 0.552 -22.562 -6.477 1.00 44.11 C ATOM 1562 CD1 ILE A 100 -0.469 -24.783 -4.695 1.00 72.02 C ATOM 0 H ILE A 100 -1.360 -25.381 -8.461 1.00 20.32 H new ATOM 0 HA ILE A 100 0.490 -23.123 -8.887 1.00 22.34 H new ATOM 0 HB ILE A 100 1.442 -24.492 -6.664 1.00 14.03 H new ATOM 0 HG12 ILE A 100 -1.582 -24.283 -6.445 1.00 4.23 H new ATOM 0 HG13 ILE A 100 -0.679 -25.780 -6.570 1.00 4.23 H new ATOM 0 HG21 ILE A 100 0.690 -22.517 -5.397 1.00 44.11 H new ATOM 0 HG22 ILE A 100 1.386 -22.062 -6.970 1.00 44.11 H new ATOM 0 HG23 ILE A 100 -0.380 -22.063 -6.745 1.00 44.11 H new ATOM 0 HD11 ILE A 100 -1.304 -25.324 -4.249 1.00 72.02 H new ATOM 0 HD12 ILE A 100 0.465 -25.282 -4.439 1.00 72.02 H new ATOM 0 HD13 ILE A 100 -0.452 -23.762 -4.313 1.00 72.02 H new ATOM 1574 N PRO A 101 2.559 -24.691 -9.144 1.00 5.41 N ATOM 1575 CA PRO A 101 3.628 -25.543 -9.673 1.00 12.11 C ATOM 1576 C PRO A 101 3.995 -26.673 -8.718 1.00 2.30 C ATOM 1577 O PRO A 101 3.577 -26.681 -7.561 1.00 32.44 O ATOM 1578 CB PRO A 101 4.804 -24.576 -9.837 1.00 72.31 C ATOM 1579 CG PRO A 101 4.542 -23.491 -8.851 1.00 30.21 C ATOM 1580 CD PRO A 101 3.046 -23.350 -8.778 1.00 12.42 C ATOM 0 HA PRO A 101 3.334 -26.039 -10.598 1.00 12.11 H new ATOM 0 HB2 PRO A 101 5.754 -25.071 -9.638 1.00 72.31 H new ATOM 0 HB3 PRO A 101 4.856 -24.184 -10.853 1.00 72.31 H new ATOM 0 HG2 PRO A 101 4.958 -23.741 -7.875 1.00 30.21 H new ATOM 0 HG3 PRO A 101 5.007 -22.557 -9.166 1.00 30.21 H new ATOM 0 HD2 PRO A 101 2.718 -23.062 -7.779 1.00 12.42 H new ATOM 0 HD3 PRO A 101 2.680 -22.588 -9.466 1.00 12.42 H new ATOM 1588 N GLY A 102 4.781 -27.626 -9.210 1.00 32.42 N ATOM 1589 CA GLY A 102 5.192 -28.748 -8.386 1.00 0.31 C ATOM 1590 C GLY A 102 6.237 -29.612 -9.063 1.00 24.52 C ATOM 1591 O GLY A 102 5.937 -30.333 -10.015 1.00 11.45 O ATOM 0 H GLY A 102 5.140 -27.641 -10.164 1.00 32.42 H new ATOM 0 HA2 GLY A 102 5.589 -28.375 -7.442 1.00 0.31 H new ATOM 0 HA3 GLY A 102 4.321 -29.357 -8.147 1.00 0.31 H new ATOM 1595 N LYS A 103 7.469 -29.540 -8.572 1.00 3.14 N ATOM 1596 CA LYS A 103 8.564 -30.322 -9.134 1.00 43.22 C ATOM 1597 C LYS A 103 8.655 -30.123 -10.643 1.00 61.24 C ATOM 1598 O LYS A 103 8.341 -31.015 -11.431 1.00 63.01 O ATOM 1599 CB LYS A 103 8.376 -31.806 -8.815 1.00 71.21 C ATOM 1600 CG LYS A 103 9.678 -32.586 -8.755 1.00 10.34 C ATOM 1601 CD LYS A 103 10.130 -33.024 -10.138 1.00 2.41 C ATOM 1602 CE LYS A 103 11.375 -33.894 -10.068 1.00 34.01 C ATOM 1603 NZ LYS A 103 12.621 -33.079 -10.034 1.00 12.13 N ATOM 0 H LYS A 103 7.735 -28.948 -7.785 1.00 3.14 H new ATOM 0 HA LYS A 103 9.494 -29.976 -8.682 1.00 43.22 H new ATOM 0 HB2 LYS A 103 7.861 -31.901 -7.859 1.00 71.21 H new ATOM 0 HB3 LYS A 103 7.730 -32.252 -9.571 1.00 71.21 H new ATOM 0 HG2 LYS A 103 10.452 -31.970 -8.297 1.00 10.34 H new ATOM 0 HG3 LYS A 103 9.550 -33.462 -8.119 1.00 10.34 H new ATOM 0 HD2 LYS A 103 9.327 -33.575 -10.627 1.00 2.41 H new ATOM 0 HD3 LYS A 103 10.333 -32.146 -10.751 1.00 2.41 H new ATOM 0 HE2 LYS A 103 11.329 -34.523 -9.179 1.00 34.01 H new ATOM 0 HE3 LYS A 103 11.401 -34.561 -10.930 1.00 34.01 H new ATOM 0 HZ1 LYS A 103 13.447 -33.709 -9.986 1.00 12.13 H new ATOM 0 HZ2 LYS A 103 12.679 -32.497 -10.894 1.00 12.13 H new ATOM 0 HZ3 LYS A 103 12.609 -32.461 -9.198 1.00 12.13 H new ATOM 1617 N PRO A 104 9.096 -28.926 -11.058 1.00 51.44 N ATOM 1618 CA PRO A 104 9.240 -28.584 -12.477 1.00 15.44 C ATOM 1619 C PRO A 104 10.380 -29.344 -13.144 1.00 4.42 C ATOM 1620 O PRO A 104 10.966 -30.248 -12.550 1.00 31.52 O ATOM 1621 CB PRO A 104 9.541 -27.083 -12.450 1.00 1.20 C ATOM 1622 CG PRO A 104 10.149 -26.842 -11.112 1.00 2.03 C ATOM 1623 CD PRO A 104 9.488 -27.815 -10.175 1.00 42.22 C ATOM 0 HA PRO A 104 8.351 -28.845 -13.052 1.00 15.44 H new ATOM 0 HB2 PRO A 104 10.224 -26.802 -13.252 1.00 1.20 H new ATOM 0 HB3 PRO A 104 8.633 -26.495 -12.584 1.00 1.20 H new ATOM 0 HG2 PRO A 104 11.227 -26.998 -11.140 1.00 2.03 H new ATOM 0 HG3 PRO A 104 9.984 -25.815 -10.788 1.00 2.03 H new ATOM 0 HD2 PRO A 104 10.170 -28.146 -9.392 1.00 42.22 H new ATOM 0 HD3 PRO A 104 8.624 -27.372 -9.679 1.00 42.22 H new ATOM 1631 N GLU A 105 10.691 -28.971 -14.381 1.00 14.42 N ATOM 1632 CA GLU A 105 11.761 -29.619 -15.128 1.00 45.05 C ATOM 1633 C GLU A 105 12.587 -28.592 -15.900 1.00 31.45 C ATOM 1634 O GLU A 105 13.024 -28.847 -17.021 1.00 3.32 O ATOM 1635 CB GLU A 105 11.184 -30.655 -16.095 1.00 42.04 C ATOM 1636 CG GLU A 105 10.267 -30.059 -17.150 1.00 21.33 C ATOM 1637 CD GLU A 105 10.276 -30.848 -18.444 1.00 60.43 C ATOM 1638 OE1 GLU A 105 11.376 -31.093 -18.982 1.00 50.34 O ATOM 1639 OE2 GLU A 105 9.183 -31.221 -18.920 1.00 3.31 O ATOM 0 H GLU A 105 10.217 -28.223 -14.887 1.00 14.42 H new ATOM 0 HA GLU A 105 12.413 -30.122 -14.414 1.00 45.05 H new ATOM 0 HB2 GLU A 105 12.005 -31.174 -16.590 1.00 42.04 H new ATOM 0 HB3 GLU A 105 10.631 -31.403 -15.526 1.00 42.04 H new ATOM 0 HG2 GLU A 105 9.250 -30.019 -16.761 1.00 21.33 H new ATOM 0 HG3 GLU A 105 10.572 -29.032 -17.353 1.00 21.33 H new TER 1646 GLU A 105 HETATM 1647 N IOR A 201 10.712 -2.050 -5.196 1.00 1.22 N HETATM 1648 CA IOR A 201 9.722 -3.126 -5.313 1.00 43.52 C HETATM 1649 C IOR A 201 9.923 -4.162 -4.247 1.00 24.53 C HETATM 1650 O IOR A 201 11.001 -4.206 -3.644 1.00 0.23 O HETATM 1651 CB IOR A 201 9.956 -3.903 -6.677 1.00 0.41 C HETATM 1652 CG IOR A 201 11.392 -4.385 -6.699 1.00 54.40 C HETATM 1653 CD IOR A 201 12.277 -3.755 -7.658 1.00 23.42 C HETATM 1654 NE IOR A 201 11.655 -4.045 -8.914 1.00 3.14 N HETATM 1655 C1 IOR A 201 11.075 -3.050 -9.594 1.00 2.20 C HETATM 1656 N5 IOR A 201 11.080 -1.759 -9.133 1.00 60.31 N HETATM 1657 N2 IOR A 201 10.393 -3.139 -10.822 1.00 50.15 N HETATM 1658 C4 IOR A 201 10.151 -1.085 -9.943 1.00 4.54 C HETATM 1659 O4 IOR A 201 10.213 0.327 -10.006 1.00 42.20 O HETATM 1660 C3 IOR A 201 10.108 -1.817 -11.258 1.00 52.32 C HETATM 1661 C6 IOR A 201 11.269 -1.339 -12.141 1.00 73.22 C