USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0.446 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.456 K(o=0.9,f=-0.56!) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 CYS SG : rot -103:sc= 0.835! USER MOD Set 3.2: A 26 CYS SG : rot 114:sc= 1.39 USER MOD Single : A 1 SER N :NH3+ -128:sc= 0.0621 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.523 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -99:sc= 0.985 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.81 X(o=-0.81,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.26) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0.0155 USER MOD Single : A 31 SER OG : rot -31:sc= -0.974! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -28:sc= 0.302 USER MOD Single : A 36 CYS SG : rot -6:sc= -0.219 USER MOD Single : A 37 ASN : amide:sc= -8.25! C(o=-8.2!,f=-7.9!) USER MOD Single : A 38 SER OG : rot -159:sc= -0.725 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.735 X(o=-0.73,f=-0.39) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 57 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-6.6!) USER MOD Single : A 59 TYR OH : rot 90:sc= -1.93 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.056 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -5.78! C(o=-5.8!,f=-6.7!) USER MOD Single : A 81 SER OG : rot -157:sc= -0.937! USER MOD Single : A 82 CYS SG : rot -27:sc= -0.608! USER MOD Single : A 86 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.742 K(o=-0.74,f=-2.2!) USER MOD Single : A 100 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0399) USER MOD Single : A 104 ASN : amide:sc= -3.12! C(o=-3.1!,f=-8.9!) USER MOD Single : A 106 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.2) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 177:sc= -0.37 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 114 CYS SG : rot 110:sc=-0.00346 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.31) USER MOD Single : A 122 HIS : no HD1:sc= -1.85! C(o=-1.8!,f=-3.7!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.00014) USER MOD Single : A 128 SER OG : rot 120:sc=2.17e-05 USER MOD Single : A 129 CYS SG : rot 54:sc= -1.38! USER MOD Single : A 130 LYS NZ :NH3+ -159:sc= -0.0793 (180deg=-0.625) USER MOD Single : A 135 THR OG1 : rot 150:sc= -3.85! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.0608 K(o=-0.061,f=-0.6) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0827 USER MOD Single : A 148 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.58) USER MOD Single : A 149 TYR OH : rot -30:sc= 0.0165 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -161:sc= -0.0714 (180deg=-0.677) USER MOD Single : A 156 TYR OH : rot 22:sc= -1.24! USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= -0.408 USER MOD Single : A 170 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.042) USER MOD Single : A 171 SER OG : rot 39:sc= -0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.134 -17.182 -19.474 1.00 4.50 N ATOM 2 CA SER A 1 -14.237 -16.181 -19.520 1.00 4.52 C ATOM 3 C SER A 1 -13.716 -14.825 -19.040 1.00 3.57 C ATOM 4 O SER A 1 -12.542 -14.531 -19.133 1.00 3.03 O ATOM 5 CB SER A 1 -15.376 -16.640 -18.611 1.00 4.81 C ATOM 6 OG SER A 1 -16.467 -15.736 -18.733 1.00 5.28 O ATOM 0 H1 SER A 1 -13.058 -17.657 -20.396 1.00 4.50 H new ATOM 0 H2 SER A 1 -12.238 -16.701 -19.257 1.00 4.50 H new ATOM 0 H3 SER A 1 -13.336 -17.887 -18.736 1.00 4.50 H new ATOM 0 HA SER A 1 -14.602 -16.088 -20.543 1.00 4.52 H new ATOM 0 HB2 SER A 1 -15.691 -17.647 -18.884 1.00 4.81 H new ATOM 0 HB3 SER A 1 -15.037 -16.681 -17.576 1.00 4.81 H new ATOM 0 HG SER A 1 -17.200 -16.028 -18.152 1.00 5.28 H new ATOM 14 N LYS A 2 -14.582 -13.996 -18.524 1.00 3.60 N ATOM 15 CA LYS A 2 -14.137 -12.660 -18.037 1.00 3.08 C ATOM 16 C LYS A 2 -13.416 -12.821 -16.696 1.00 2.11 C ATOM 17 O LYS A 2 -13.863 -12.335 -15.676 1.00 2.12 O ATOM 18 CB LYS A 2 -15.356 -11.751 -17.866 1.00 3.28 C ATOM 19 CG LYS A 2 -16.046 -11.564 -19.219 1.00 3.95 C ATOM 20 CD LYS A 2 -17.385 -10.852 -19.017 1.00 4.66 C ATOM 21 CE LYS A 2 -17.984 -10.495 -20.378 1.00 5.66 C ATOM 22 NZ LYS A 2 -19.284 -9.796 -20.179 1.00 5.96 N ATOM 0 H LYS A 2 -15.579 -14.186 -18.419 1.00 3.60 H new ATOM 0 HA LYS A 2 -13.454 -12.214 -18.760 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -16.051 -12.188 -17.149 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -15.049 -10.785 -17.465 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -15.410 -10.982 -19.886 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -16.205 -12.532 -19.695 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -18.070 -11.494 -18.463 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -17.243 -9.950 -18.422 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -17.297 -9.857 -20.934 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -18.131 -11.398 -20.971 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -19.692 -9.553 -21.104 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -19.938 -10.420 -19.665 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -19.130 -8.927 -19.629 1.00 5.96 H new ATOM 36 N THR A 3 -12.289 -13.476 -16.697 1.00 1.72 N ATOM 37 CA THR A 3 -11.526 -13.633 -15.426 1.00 1.18 C ATOM 38 C THR A 3 -10.728 -12.350 -15.179 1.00 1.02 C ATOM 39 O THR A 3 -10.218 -11.750 -16.104 1.00 1.63 O ATOM 40 CB THR A 3 -10.525 -14.785 -15.542 1.00 1.48 C ATOM 41 OG1 THR A 3 -9.483 -14.414 -16.435 1.00 2.13 O ATOM 42 CG2 THR A 3 -11.238 -16.029 -16.074 1.00 2.22 C ATOM 0 H THR A 3 -11.864 -13.908 -17.518 1.00 1.72 H new ATOM 0 HA THR A 3 -12.227 -13.834 -14.616 1.00 1.18 H new ATOM 0 HB THR A 3 -10.103 -15.003 -14.561 1.00 1.48 H new ATOM 0 HG1 THR A 3 -8.839 -15.149 -16.510 1.00 2.13 H new ATOM 0 HG21 THR A 3 -10.525 -16.849 -16.157 1.00 2.22 H new ATOM 0 HG22 THR A 3 -12.038 -16.311 -15.389 1.00 2.22 H new ATOM 0 HG23 THR A 3 -11.660 -15.815 -17.056 1.00 2.22 H new ATOM 50 N GLY A 4 -10.604 -11.917 -13.956 1.00 0.52 N ATOM 51 CA GLY A 4 -9.823 -10.670 -13.723 1.00 0.30 C ATOM 52 C GLY A 4 -9.830 -10.254 -12.251 1.00 0.41 C ATOM 53 O GLY A 4 -10.421 -10.889 -11.401 1.00 0.81 O ATOM 0 H GLY A 4 -10.999 -12.359 -13.126 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -8.795 -10.820 -14.052 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.238 -9.864 -14.329 1.00 0.30 H new ATOM 57 N GLY A 5 -9.168 -9.165 -11.970 1.00 0.01 N ATOM 58 CA GLY A 5 -9.106 -8.638 -10.578 1.00 0.01 C ATOM 59 C GLY A 5 -10.410 -7.905 -10.257 1.00 0.01 C ATOM 60 O GLY A 5 -11.118 -7.471 -11.143 1.00 0.01 O ATOM 0 H GLY A 5 -8.659 -8.610 -12.658 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -8.952 -9.456 -9.874 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.259 -7.961 -10.471 1.00 0.01 H new ATOM 64 N LYS A 6 -10.740 -7.765 -8.998 1.00 0.00 N ATOM 65 CA LYS A 6 -12.009 -7.060 -8.631 1.00 0.01 C ATOM 66 C LYS A 6 -11.845 -6.317 -7.306 1.00 0.01 C ATOM 67 O LYS A 6 -11.302 -6.828 -6.345 1.00 0.00 O ATOM 68 CB LYS A 6 -13.156 -8.067 -8.506 1.00 0.02 C ATOM 69 CG LYS A 6 -14.458 -7.325 -8.192 1.00 0.02 C ATOM 70 CD LYS A 6 -15.651 -8.246 -8.453 1.00 0.02 C ATOM 71 CE LYS A 6 -15.602 -9.435 -7.492 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.925 -10.123 -7.484 1.00 0.02 N ATOM 0 H LYS A 6 -10.189 -8.106 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.239 -6.342 -9.418 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.261 -8.631 -9.433 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.937 -8.787 -7.718 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.460 -6.997 -7.152 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.536 -6.430 -8.809 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -16.583 -7.697 -8.320 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -15.632 -8.598 -9.484 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -14.820 -10.131 -7.797 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.351 -9.094 -6.487 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.892 -10.931 -6.831 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.661 -9.457 -7.174 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -17.146 -10.461 -8.442 1.00 0.02 H new ATOM 86 N ILE A 7 -12.336 -5.102 -7.261 1.00 0.02 N ATOM 87 CA ILE A 7 -12.256 -4.274 -6.019 1.00 0.00 C ATOM 88 C ILE A 7 -13.648 -3.710 -5.714 1.00 0.02 C ATOM 89 O ILE A 7 -14.359 -3.285 -6.605 1.00 0.01 O ATOM 90 CB ILE A 7 -11.233 -3.154 -6.224 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.242 -2.213 -5.018 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.578 -2.361 -7.481 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.015 -1.300 -5.076 1.00 0.02 C ATOM 0 H ILE A 7 -12.796 -4.643 -8.047 1.00 0.02 H new ATOM 0 HA ILE A 7 -11.931 -4.878 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.243 -3.597 -6.332 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.154 -1.616 -5.016 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.237 -2.790 -4.093 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.846 -1.565 -7.621 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.563 -3.025 -8.346 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.572 -1.926 -7.375 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.020 -0.629 -4.217 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.109 -1.906 -5.058 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.041 -0.714 -5.995 1.00 0.02 H new ATOM 105 N SER A 8 -14.038 -3.701 -4.460 1.00 0.02 N ATOM 106 CA SER A 8 -15.387 -3.162 -4.075 1.00 0.02 C ATOM 107 C SER A 8 -15.226 -2.004 -3.088 1.00 0.01 C ATOM 108 O SER A 8 -14.539 -2.115 -2.096 1.00 0.02 O ATOM 109 CB SER A 8 -16.226 -4.263 -3.422 1.00 0.30 C ATOM 110 OG SER A 8 -16.052 -5.475 -4.143 1.00 0.39 O ATOM 0 H SER A 8 -13.477 -4.046 -3.681 1.00 0.02 H new ATOM 0 HA SER A 8 -15.889 -2.807 -4.975 1.00 0.02 H new ATOM 0 HB2 SER A 8 -15.925 -4.398 -2.383 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.278 -3.978 -3.415 1.00 0.30 H new ATOM 0 HG SER A 8 -16.810 -5.606 -4.750 1.00 0.39 H new ATOM 116 N PHE A 9 -15.877 -0.895 -3.353 1.00 0.02 N ATOM 117 CA PHE A 9 -15.800 0.289 -2.437 1.00 0.01 C ATOM 118 C PHE A 9 -17.156 0.481 -1.743 1.00 0.01 C ATOM 119 O PHE A 9 -18.193 0.331 -2.361 1.00 0.02 O ATOM 120 CB PHE A 9 -15.468 1.546 -3.255 1.00 0.02 C ATOM 121 CG PHE A 9 -14.455 1.214 -4.324 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.860 0.549 -5.488 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.113 1.579 -4.158 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.922 0.248 -6.485 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.177 1.281 -5.155 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.582 0.615 -6.318 1.00 0.02 C ATOM 0 H PHE A 9 -16.465 -0.759 -4.175 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.024 0.123 -1.690 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.375 1.942 -3.712 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.076 2.323 -2.599 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.895 0.268 -5.617 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.800 2.091 -3.260 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.233 -0.267 -7.382 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.143 1.565 -5.027 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.860 0.384 -7.087 1.00 0.02 H new ATOM 136 N TYR A 10 -17.158 0.812 -0.471 1.00 0.02 N ATOM 137 CA TYR A 10 -18.451 1.013 0.269 1.00 0.01 C ATOM 138 C TYR A 10 -18.496 2.438 0.834 1.00 0.02 C ATOM 139 O TYR A 10 -17.508 2.957 1.318 1.00 0.01 O ATOM 140 CB TYR A 10 -18.534 0.018 1.432 1.00 0.02 C ATOM 141 CG TYR A 10 -18.194 -1.375 0.949 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.869 -1.705 0.631 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.200 -2.341 0.828 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.555 -2.997 0.189 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.885 -3.632 0.387 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.561 -3.960 0.070 1.00 0.00 C ATOM 147 OH TYR A 10 -17.250 -5.234 -0.363 1.00 0.02 O ATOM 0 H TYR A 10 -16.317 0.952 0.089 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.286 0.856 -0.414 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.847 0.315 2.224 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.537 0.029 1.859 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.090 -0.963 0.727 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.221 -2.090 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.535 -3.249 -0.060 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.663 -4.375 0.291 1.00 0.02 H new ATOM 0 HH TYR A 10 -18.064 -5.779 -0.388 1.00 0.02 H new ATOM 157 N GLU A 11 -19.627 3.090 0.748 1.00 0.00 N ATOM 158 CA GLU A 11 -19.715 4.493 1.248 1.00 0.02 C ATOM 159 C GLU A 11 -19.617 4.551 2.772 1.00 0.03 C ATOM 160 O GLU A 11 -19.182 5.547 3.316 1.00 0.03 O ATOM 161 CB GLU A 11 -21.050 5.102 0.817 1.00 0.00 C ATOM 162 CG GLU A 11 -21.069 5.266 -0.703 1.00 0.00 C ATOM 163 CD GLU A 11 -22.299 6.076 -1.116 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.282 6.031 -0.395 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.236 6.729 -2.144 1.00 0.02 O ATOM 0 H GLU A 11 -20.489 2.713 0.355 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.881 5.054 0.825 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.873 4.462 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.193 6.069 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.161 5.769 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.087 4.288 -1.184 1.00 0.00 H new ATOM 172 N ASP A 12 -20.012 3.514 3.478 1.00 0.02 N ATOM 173 CA ASP A 12 -19.930 3.546 4.975 1.00 0.01 C ATOM 174 C ASP A 12 -18.911 2.516 5.468 1.00 0.02 C ATOM 175 O ASP A 12 -18.428 1.685 4.725 1.00 0.02 O ATOM 176 CB ASP A 12 -21.298 3.214 5.576 1.00 0.01 C ATOM 177 CG ASP A 12 -22.379 4.017 4.851 1.00 0.01 C ATOM 178 OD1 ASP A 12 -22.023 4.871 4.055 1.00 0.02 O ATOM 179 OD2 ASP A 12 -23.546 3.762 5.101 1.00 0.03 O ATOM 0 H ASP A 12 -20.386 2.651 3.083 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.620 4.544 5.285 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -21.499 2.147 5.484 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.307 3.449 6.640 1.00 0.01 H new ATOM 184 N ARG A 13 -18.584 2.586 6.728 1.00 0.02 N ATOM 185 CA ARG A 13 -17.593 1.644 7.321 1.00 0.02 C ATOM 186 C ARG A 13 -18.234 0.269 7.540 1.00 0.00 C ATOM 187 O ARG A 13 -19.438 0.136 7.632 1.00 0.02 O ATOM 188 CB ARG A 13 -17.132 2.212 8.664 1.00 0.00 C ATOM 189 CG ARG A 13 -16.202 3.403 8.422 1.00 0.01 C ATOM 190 CD ARG A 13 -15.730 3.963 9.765 1.00 0.02 C ATOM 191 NE ARG A 13 -16.906 4.187 10.652 1.00 0.03 N ATOM 192 CZ ARG A 13 -16.732 4.374 11.929 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.527 4.359 12.432 1.00 0.02 N ATOM 194 NH2 ARG A 13 -17.762 4.571 12.706 1.00 0.02 N ATOM 0 H ARG A 13 -18.968 3.267 7.383 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.745 1.529 6.645 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -17.994 2.524 9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.614 1.443 9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.345 3.093 7.824 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.723 4.176 7.857 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -15.033 3.269 10.236 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.193 4.899 9.612 1.00 0.02 H new ATOM 0 HE ARG A 13 -17.847 4.194 10.259 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -14.723 4.201 11.825 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.390 4.505 13.432 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -18.703 4.578 12.313 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -17.626 4.717 13.706 1.00 0.02 H new ATOM 208 N ASN A 14 -17.420 -0.749 7.638 1.00 0.02 N ATOM 209 CA ASN A 14 -17.934 -2.130 7.872 1.00 0.02 C ATOM 210 C ASN A 14 -18.739 -2.633 6.668 1.00 0.02 C ATOM 211 O ASN A 14 -19.668 -3.405 6.792 1.00 0.02 O ATOM 212 CB ASN A 14 -18.794 -2.131 9.140 1.00 0.26 C ATOM 213 CG ASN A 14 -18.190 -1.172 10.167 1.00 0.12 C ATOM 214 OD1 ASN A 14 -16.991 -1.136 10.349 1.00 0.74 O ATOM 215 ND2 ASN A 14 -18.978 -0.390 10.854 1.00 0.46 N ATOM 0 H ASN A 14 -16.405 -0.680 7.565 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.091 -2.808 8.002 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -19.814 -1.829 8.901 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -18.848 -3.138 9.555 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -18.586 0.251 11.544 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -19.986 -0.420 10.701 1.00 0.46 H new ATOM 222 N PHE A 15 -18.341 -2.214 5.498 1.00 0.02 N ATOM 223 CA PHE A 15 -19.013 -2.664 4.241 1.00 0.02 C ATOM 224 C PHE A 15 -20.518 -2.380 4.280 1.00 0.00 C ATOM 225 O PHE A 15 -21.325 -3.183 3.853 1.00 0.02 O ATOM 226 CB PHE A 15 -18.781 -4.176 4.061 1.00 0.02 C ATOM 227 CG PHE A 15 -17.436 -4.555 4.640 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.264 -4.281 3.927 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.366 -5.181 5.891 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.021 -4.634 4.464 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.122 -5.533 6.428 1.00 0.02 C ATOM 232 CZ PHE A 15 -14.951 -5.260 5.714 1.00 0.02 C ATOM 0 H PHE A 15 -17.565 -1.567 5.356 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.586 -2.111 3.404 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.573 -4.737 4.557 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.820 -4.437 3.003 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.319 -3.797 2.963 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.271 -5.392 6.441 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.116 -4.423 3.914 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.067 -6.015 7.393 1.00 0.02 H new ATOM 0 HZ PHE A 15 -13.991 -5.533 6.128 1.00 0.02 H new ATOM 242 N GLN A 16 -20.894 -1.229 4.773 1.00 0.02 N ATOM 243 CA GLN A 16 -22.339 -0.848 4.831 1.00 0.02 C ATOM 244 C GLN A 16 -22.562 0.335 3.882 1.00 0.02 C ATOM 245 O GLN A 16 -21.623 0.968 3.440 1.00 0.02 O ATOM 246 CB GLN A 16 -22.691 -0.426 6.261 1.00 0.02 C ATOM 247 CG GLN A 16 -22.857 -1.672 7.136 1.00 0.00 C ATOM 248 CD GLN A 16 -24.175 -2.367 6.792 1.00 0.00 C ATOM 249 OE1 GLN A 16 -25.230 -1.772 6.880 1.00 0.02 O ATOM 250 NE2 GLN A 16 -24.158 -3.612 6.399 1.00 0.02 N ATOM 0 H GLN A 16 -20.253 -0.527 5.143 1.00 0.02 H new ATOM 0 HA GLN A 16 -22.967 -1.690 4.538 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.907 0.214 6.666 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.611 0.158 6.263 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -22.022 -2.354 6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.845 -1.393 8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.272 -4.111 6.325 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -25.031 -4.085 6.166 1.00 0.02 H new ATOM 259 N GLY A 17 -23.792 0.643 3.566 1.00 0.03 N ATOM 260 CA GLY A 17 -24.057 1.795 2.649 1.00 0.03 C ATOM 261 C GLY A 17 -24.046 1.338 1.184 1.00 0.02 C ATOM 262 O GLY A 17 -24.058 0.160 0.887 1.00 0.02 O ATOM 0 H GLY A 17 -24.621 0.152 3.900 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.022 2.242 2.888 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.302 2.567 2.800 1.00 0.03 H new ATOM 266 N ARG A 18 -24.012 2.273 0.271 1.00 0.00 N ATOM 267 CA ARG A 18 -23.985 1.922 -1.181 1.00 0.02 C ATOM 268 C ARG A 18 -22.641 1.277 -1.522 1.00 0.02 C ATOM 269 O ARG A 18 -21.607 1.657 -1.005 1.00 0.02 O ATOM 270 CB ARG A 18 -24.162 3.200 -2.004 1.00 0.79 C ATOM 271 CG ARG A 18 -24.431 2.834 -3.470 1.00 1.49 C ATOM 272 CD ARG A 18 -24.684 4.109 -4.307 1.00 1.42 C ATOM 273 NE ARG A 18 -25.861 3.903 -5.210 1.00 2.07 N ATOM 274 CZ ARG A 18 -25.981 2.820 -5.934 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.022 1.937 -5.969 1.00 2.53 N ATOM 276 NH2 ARG A 18 -27.053 2.639 -6.655 1.00 2.76 N ATOM 0 H ARG A 18 -24.002 3.273 0.470 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.789 1.222 -1.409 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -24.990 3.788 -1.608 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.267 3.819 -1.931 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.580 2.287 -3.877 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.295 2.172 -3.534 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.865 4.957 -3.647 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -23.799 4.348 -4.897 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.583 4.621 -5.262 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.170 2.088 -5.429 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.124 1.095 -6.536 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -27.794 3.340 -6.653 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.151 1.796 -7.221 1.00 2.76 H new ATOM 290 N ARG A 19 -22.657 0.279 -2.376 1.00 0.02 N ATOM 291 CA ARG A 19 -21.398 -0.437 -2.753 1.00 0.02 C ATOM 292 C ARG A 19 -21.192 -0.378 -4.271 1.00 0.02 C ATOM 293 O ARG A 19 -22.131 -0.358 -5.040 1.00 0.02 O ATOM 294 CB ARG A 19 -21.534 -1.904 -2.336 1.00 0.85 C ATOM 295 CG ARG A 19 -20.193 -2.631 -2.505 1.00 1.31 C ATOM 296 CD ARG A 19 -20.400 -4.140 -2.324 1.00 1.34 C ATOM 297 NE ARG A 19 -20.918 -4.726 -3.592 1.00 1.50 N ATOM 298 CZ ARG A 19 -20.885 -6.018 -3.773 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.398 -6.795 -2.844 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.340 -6.535 -4.881 1.00 1.89 N ATOM 0 H ARG A 19 -23.499 -0.072 -2.832 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.550 0.033 -2.256 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.861 -1.966 -1.298 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.299 -2.392 -2.940 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.779 -2.426 -3.492 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.473 -2.262 -1.774 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.459 -4.616 -2.048 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.102 -4.327 -1.511 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.298 -4.118 -4.318 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.043 -6.392 -1.977 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.372 -7.805 -2.985 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -21.722 -5.929 -5.607 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.314 -7.545 -5.021 1.00 1.89 H new ATOM 314 N TYR A 20 -19.954 -0.392 -4.696 1.00 0.02 N ATOM 315 CA TYR A 20 -19.644 -0.381 -6.164 1.00 0.02 C ATOM 316 C TYR A 20 -18.543 -1.399 -6.450 1.00 0.02 C ATOM 317 O TYR A 20 -17.533 -1.420 -5.783 1.00 0.02 O ATOM 318 CB TYR A 20 -19.175 1.000 -6.623 1.00 0.02 C ATOM 319 CG TYR A 20 -19.209 1.038 -8.134 1.00 0.01 C ATOM 320 CD1 TYR A 20 -18.119 0.563 -8.874 1.00 0.01 C ATOM 321 CD2 TYR A 20 -20.338 1.536 -8.794 1.00 0.02 C ATOM 322 CE1 TYR A 20 -18.159 0.588 -10.273 1.00 0.02 C ATOM 323 CE2 TYR A 20 -20.377 1.560 -10.194 1.00 0.02 C ATOM 324 CZ TYR A 20 -19.288 1.085 -10.934 1.00 0.02 C ATOM 325 OH TYR A 20 -19.326 1.108 -12.312 1.00 0.01 O ATOM 0 H TYR A 20 -19.136 -0.411 -4.086 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.554 -0.635 -6.708 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.819 1.776 -6.210 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.166 1.197 -6.261 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -17.248 0.177 -8.365 1.00 0.01 H new ATOM 0 HD2 TYR A 20 -21.179 1.902 -8.224 1.00 0.02 H new ATOM 0 HE1 TYR A 20 -17.317 0.223 -10.843 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -21.248 1.945 -10.703 1.00 0.02 H new ATOM 0 HH TYR A 20 -20.181 1.482 -12.609 1.00 0.01 H new ATOM 335 N ASP A 21 -18.724 -2.231 -7.442 1.00 0.01 N ATOM 336 CA ASP A 21 -17.683 -3.252 -7.792 1.00 0.02 C ATOM 337 C ASP A 21 -17.034 -2.860 -9.121 1.00 0.00 C ATOM 338 O ASP A 21 -17.702 -2.456 -10.052 1.00 0.01 O ATOM 339 CB ASP A 21 -18.361 -4.615 -7.937 1.00 0.12 C ATOM 340 CG ASP A 21 -18.994 -5.016 -6.604 1.00 0.41 C ATOM 341 OD1 ASP A 21 -20.144 -4.669 -6.389 1.00 1.12 O ATOM 342 OD2 ASP A 21 -18.317 -5.659 -5.819 1.00 0.56 O ATOM 0 H ASP A 21 -19.556 -2.250 -8.032 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.922 -3.301 -7.013 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -19.123 -4.573 -8.715 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -17.632 -5.364 -8.245 1.00 0.12 H new ATOM 347 N CYS A 22 -15.726 -2.961 -9.204 1.00 0.01 N ATOM 348 CA CYS A 22 -15.004 -2.577 -10.463 1.00 0.00 C ATOM 349 C CYS A 22 -14.079 -3.716 -10.892 1.00 0.02 C ATOM 350 O CYS A 22 -13.416 -4.334 -10.079 1.00 0.01 O ATOM 351 CB CYS A 22 -14.183 -1.316 -10.205 1.00 0.00 C ATOM 352 SG CYS A 22 -13.465 -0.739 -11.763 1.00 0.02 S ATOM 0 H CYS A 22 -15.125 -3.294 -8.450 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.726 -2.386 -11.257 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.814 -0.540 -9.773 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.394 -1.524 -9.483 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.205 -1.056 -11.804 1.00 0.02 H new ATOM 358 N ASP A 23 -14.039 -4.000 -12.172 1.00 0.01 N ATOM 359 CA ASP A 23 -13.172 -5.101 -12.697 1.00 0.02 C ATOM 360 C ASP A 23 -12.127 -4.534 -13.666 1.00 0.00 C ATOM 361 O ASP A 23 -11.463 -5.272 -14.364 1.00 0.02 O ATOM 362 CB ASP A 23 -14.050 -6.114 -13.435 1.00 0.16 C ATOM 363 CG ASP A 23 -13.207 -7.329 -13.823 1.00 0.17 C ATOM 364 OD1 ASP A 23 -13.102 -8.237 -13.014 1.00 0.17 O ATOM 365 OD2 ASP A 23 -12.680 -7.331 -14.923 1.00 0.20 O ATOM 0 H ASP A 23 -14.578 -3.508 -12.885 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.658 -5.584 -11.866 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -14.881 -6.422 -12.800 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.481 -5.657 -14.326 1.00 0.16 H new ATOM 370 N CYS A 24 -11.962 -3.236 -13.715 1.00 0.01 N ATOM 371 CA CYS A 24 -10.945 -2.645 -14.638 1.00 0.01 C ATOM 372 C CYS A 24 -10.592 -1.233 -14.151 1.00 0.01 C ATOM 373 O CYS A 24 -11.186 -0.731 -13.218 1.00 0.01 O ATOM 374 CB CYS A 24 -11.517 -2.575 -16.057 1.00 0.62 C ATOM 375 SG CYS A 24 -10.183 -2.239 -17.231 1.00 1.23 S ATOM 0 H CYS A 24 -12.486 -2.561 -13.157 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.049 -3.266 -14.647 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.009 -3.515 -16.309 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -12.274 -1.793 -16.117 1.00 0.62 H new ATOM 0 HG CYS A 24 -10.669 -2.182 -18.435 1.00 1.23 H new ATOM 381 N ASP A 25 -9.630 -0.587 -14.760 1.00 0.02 N ATOM 382 CA ASP A 25 -9.246 0.785 -14.313 1.00 0.01 C ATOM 383 C ASP A 25 -10.429 1.747 -14.467 1.00 0.02 C ATOM 384 O ASP A 25 -11.199 1.657 -15.403 1.00 0.00 O ATOM 385 CB ASP A 25 -8.091 1.286 -15.181 1.00 0.01 C ATOM 386 CG ASP A 25 -6.893 0.343 -15.031 1.00 0.01 C ATOM 387 OD1 ASP A 25 -7.078 -0.734 -14.488 1.00 0.01 O ATOM 388 OD2 ASP A 25 -5.813 0.717 -15.460 1.00 0.01 O ATOM 0 H ASP A 25 -9.094 -0.951 -15.548 1.00 0.02 H new ATOM 0 HA ASP A 25 -8.949 0.745 -13.265 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.401 1.334 -16.225 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.811 2.297 -14.885 1.00 0.01 H new ATOM 393 N CYS A 26 -10.561 2.683 -13.555 1.00 0.01 N ATOM 394 CA CYS A 26 -11.675 3.685 -13.634 1.00 0.01 C ATOM 395 C CYS A 26 -11.098 5.088 -13.369 1.00 0.01 C ATOM 396 O CYS A 26 -10.536 5.350 -12.324 1.00 0.01 O ATOM 397 CB CYS A 26 -12.742 3.331 -12.593 1.00 0.01 C ATOM 398 SG CYS A 26 -13.985 2.246 -13.341 1.00 0.02 S ATOM 0 H CYS A 26 -9.940 2.797 -12.754 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.135 3.672 -14.622 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.280 2.837 -11.738 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.215 4.239 -12.219 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.935 1.076 -12.777 1.00 0.02 H new ATOM 404 N ALA A 27 -11.193 5.967 -14.334 1.00 0.01 N ATOM 405 CA ALA A 27 -10.607 7.334 -14.179 1.00 0.01 C ATOM 406 C ALA A 27 -11.487 8.259 -13.323 1.00 0.01 C ATOM 407 O ALA A 27 -11.018 9.264 -12.828 1.00 0.02 O ATOM 408 CB ALA A 27 -10.418 7.958 -15.562 1.00 0.24 C ATOM 0 H ALA A 27 -11.654 5.796 -15.228 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.651 7.225 -13.666 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -9.991 8.955 -15.456 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.745 7.336 -16.153 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.383 8.028 -16.064 1.00 0.24 H new ATOM 414 N ASP A 28 -12.751 7.961 -13.160 1.00 0.01 N ATOM 415 CA ASP A 28 -13.626 8.871 -12.345 1.00 0.02 C ATOM 416 C ASP A 28 -14.790 8.093 -11.721 1.00 0.01 C ATOM 417 O ASP A 28 -15.703 7.671 -12.402 1.00 0.02 O ATOM 418 CB ASP A 28 -14.180 9.982 -13.241 1.00 0.67 C ATOM 419 CG ASP A 28 -14.751 9.367 -14.519 1.00 0.90 C ATOM 420 OD1 ASP A 28 -14.735 8.152 -14.626 1.00 0.87 O ATOM 421 OD2 ASP A 28 -15.194 10.120 -15.369 1.00 1.14 O ATOM 0 H ASP A 28 -13.214 7.139 -13.548 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.026 9.302 -11.543 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -14.956 10.537 -12.713 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.391 10.693 -13.487 1.00 0.67 H new ATOM 426 N PHE A 29 -14.756 7.896 -10.424 1.00 0.02 N ATOM 427 CA PHE A 29 -15.841 7.144 -9.719 1.00 0.02 C ATOM 428 C PHE A 29 -16.842 8.133 -9.101 1.00 0.00 C ATOM 429 O PHE A 29 -17.719 7.754 -8.349 1.00 0.02 O ATOM 430 CB PHE A 29 -15.211 6.326 -8.568 1.00 2.87 C ATOM 431 CG PHE A 29 -14.768 4.958 -9.040 1.00 3.99 C ATOM 432 CD1 PHE A 29 -15.710 4.055 -9.547 1.00 4.52 C ATOM 433 CD2 PHE A 29 -13.421 4.583 -8.943 1.00 4.68 C ATOM 434 CE1 PHE A 29 -15.304 2.784 -9.962 1.00 5.75 C ATOM 435 CE2 PHE A 29 -13.019 3.311 -9.353 1.00 5.85 C ATOM 436 CZ PHE A 29 -13.960 2.412 -9.864 1.00 6.37 C ATOM 0 H PHE A 29 -14.009 8.231 -9.815 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.348 6.493 -10.431 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -14.356 6.866 -8.161 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.934 6.217 -7.759 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -16.749 4.340 -9.617 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -12.694 5.279 -8.551 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -16.029 2.089 -10.359 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -11.981 3.021 -9.276 1.00 5.85 H new ATOM 0 HZ PHE A 29 -13.648 1.429 -10.184 1.00 6.37 H new ATOM 446 N ARG A 30 -16.669 9.398 -9.362 1.00 0.01 N ATOM 447 CA ARG A 30 -17.557 10.421 -8.742 1.00 0.00 C ATOM 448 C ARG A 30 -19.024 10.222 -9.121 1.00 0.01 C ATOM 449 O ARG A 30 -19.905 10.582 -8.366 1.00 0.02 O ATOM 450 CB ARG A 30 -17.118 11.818 -9.187 1.00 0.32 C ATOM 451 CG ARG A 30 -15.626 12.003 -8.901 1.00 0.86 C ATOM 452 CD ARG A 30 -15.268 13.488 -8.993 1.00 1.62 C ATOM 453 NE ARG A 30 -15.815 14.054 -10.258 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.889 15.347 -10.416 1.00 2.70 C ATOM 455 NH1 ARG A 30 -15.480 16.145 -9.468 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.373 15.840 -11.522 1.00 3.02 N ATOM 0 H ARG A 30 -15.948 9.769 -9.981 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.470 10.312 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.314 11.950 -10.251 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.696 12.577 -8.660 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.385 11.621 -7.909 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.034 11.431 -9.615 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -15.675 14.025 -8.136 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.186 13.615 -8.964 1.00 1.62 H new ATOM 0 HE ARG A 30 -16.132 13.431 -11.001 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.102 15.758 -8.603 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -15.538 17.156 -9.592 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -16.693 15.215 -12.262 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.432 16.851 -11.647 1.00 3.02 H new ATOM 470 N SER A 31 -19.323 9.698 -10.278 1.00 0.02 N ATOM 471 CA SER A 31 -20.758 9.545 -10.664 1.00 0.02 C ATOM 472 C SER A 31 -21.394 8.321 -9.999 1.00 0.01 C ATOM 473 O SER A 31 -22.601 8.203 -9.940 1.00 0.02 O ATOM 474 CB SER A 31 -20.849 9.392 -12.182 1.00 0.37 C ATOM 475 OG SER A 31 -20.480 8.067 -12.544 1.00 0.88 O ATOM 0 H SER A 31 -18.646 9.372 -10.967 1.00 0.02 H new ATOM 0 HA SER A 31 -21.298 10.431 -10.330 1.00 0.02 H new ATOM 0 HB2 SER A 31 -21.863 9.605 -12.520 1.00 0.37 H new ATOM 0 HB3 SER A 31 -20.192 10.111 -12.672 1.00 0.37 H new ATOM 0 HG SER A 31 -19.816 7.727 -11.908 1.00 0.88 H new ATOM 481 N TYR A 32 -20.596 7.394 -9.530 1.00 0.01 N ATOM 482 CA TYR A 32 -21.157 6.152 -8.903 1.00 0.01 C ATOM 483 C TYR A 32 -20.985 6.180 -7.383 1.00 0.02 C ATOM 484 O TYR A 32 -21.679 5.488 -6.665 1.00 0.02 O ATOM 485 CB TYR A 32 -20.406 4.946 -9.466 1.00 0.02 C ATOM 486 CG TYR A 32 -20.418 5.003 -10.975 1.00 0.02 C ATOM 487 CD1 TYR A 32 -21.492 4.457 -11.687 1.00 0.01 C ATOM 488 CD2 TYR A 32 -19.354 5.602 -11.660 1.00 0.01 C ATOM 489 CE1 TYR A 32 -21.502 4.509 -13.087 1.00 0.02 C ATOM 490 CE2 TYR A 32 -19.364 5.654 -13.059 1.00 0.00 C ATOM 491 CZ TYR A 32 -20.439 5.108 -13.772 1.00 0.02 C ATOM 492 OH TYR A 32 -20.448 5.159 -15.150 1.00 0.02 O ATOM 0 H TYR A 32 -19.577 7.442 -9.553 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.222 6.090 -9.129 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.379 4.941 -9.100 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.871 4.022 -9.123 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.313 3.996 -11.158 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -18.526 6.024 -11.110 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -22.330 4.087 -13.637 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.543 6.115 -13.588 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.637 5.609 -15.466 1.00 0.02 H new ATOM 502 N LEU A 33 -20.061 6.949 -6.882 1.00 0.02 N ATOM 503 CA LEU A 33 -19.839 6.992 -5.403 1.00 0.02 C ATOM 504 C LEU A 33 -19.351 8.385 -5.008 1.00 0.02 C ATOM 505 O LEU A 33 -18.411 8.916 -5.569 1.00 0.02 O ATOM 506 CB LEU A 33 -18.743 5.984 -5.027 1.00 1.66 C ATOM 507 CG LEU A 33 -19.276 4.542 -5.097 1.00 2.38 C ATOM 508 CD1 LEU A 33 -18.121 3.567 -4.803 1.00 3.32 C ATOM 509 CD2 LEU A 33 -20.409 4.337 -4.067 1.00 2.80 C ATOM 0 H LEU A 33 -19.447 7.552 -7.430 1.00 0.02 H new ATOM 0 HA LEU A 33 -20.771 6.753 -4.892 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -17.894 6.095 -5.701 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.380 6.194 -4.021 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.676 4.353 -6.093 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -18.489 2.542 -4.850 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -17.332 3.704 -5.543 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -17.723 3.764 -3.808 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -20.776 3.312 -4.129 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -20.027 4.526 -3.064 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -21.225 5.028 -4.281 1.00 2.80 H new ATOM 521 N SER A 34 -20.002 8.980 -4.043 1.00 0.02 N ATOM 522 CA SER A 34 -19.614 10.343 -3.591 1.00 0.02 C ATOM 523 C SER A 34 -18.518 10.261 -2.525 1.00 0.00 C ATOM 524 O SER A 34 -17.922 11.256 -2.163 1.00 0.01 O ATOM 525 CB SER A 34 -20.839 11.045 -3.004 1.00 0.02 C ATOM 526 OG SER A 34 -20.456 12.327 -2.521 1.00 0.02 O ATOM 0 H SER A 34 -20.794 8.573 -3.545 1.00 0.02 H new ATOM 0 HA SER A 34 -19.233 10.904 -4.444 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.614 11.146 -3.764 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.261 10.449 -2.195 1.00 0.02 H new ATOM 0 HG SER A 34 -19.513 12.308 -2.256 1.00 0.02 H new ATOM 532 N ARG A 35 -18.247 9.088 -2.011 1.00 0.02 N ATOM 533 CA ARG A 35 -17.196 8.937 -0.965 1.00 0.01 C ATOM 534 C ARG A 35 -16.969 7.435 -0.726 1.00 0.02 C ATOM 535 O ARG A 35 -17.802 6.616 -1.058 1.00 0.02 O ATOM 536 CB ARG A 35 -17.667 9.608 0.329 1.00 0.02 C ATOM 537 CG ARG A 35 -16.706 9.269 1.470 1.00 0.02 C ATOM 538 CD ARG A 35 -16.977 10.194 2.655 1.00 0.02 C ATOM 539 NE ARG A 35 -18.447 10.299 2.875 1.00 0.02 N ATOM 540 CZ ARG A 35 -18.907 10.798 3.988 1.00 0.02 C ATOM 541 NH1 ARG A 35 -18.077 11.208 4.910 1.00 0.00 N ATOM 542 NH2 ARG A 35 -20.195 10.888 4.182 1.00 0.02 N ATOM 0 H ARG A 35 -18.715 8.221 -2.276 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.266 9.407 -1.286 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -17.716 10.688 0.192 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -18.674 9.272 0.578 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -16.833 8.229 1.770 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -15.674 9.380 1.136 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -16.491 9.808 3.551 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -16.555 11.181 2.464 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.094 9.980 2.154 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -17.071 11.137 4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.435 11.599 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -20.843 10.568 3.462 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.553 11.279 5.053 1.00 0.02 H new ATOM 556 N CYS A 36 -15.854 7.064 -0.147 1.00 0.02 N ATOM 557 CA CYS A 36 -15.581 5.613 0.120 1.00 0.02 C ATOM 558 C CYS A 36 -14.826 5.483 1.448 1.00 0.02 C ATOM 559 O CYS A 36 -13.731 5.994 1.573 1.00 0.02 O ATOM 560 CB CYS A 36 -14.723 5.043 -1.008 1.00 0.02 C ATOM 561 SG CYS A 36 -15.591 5.233 -2.585 1.00 0.02 S ATOM 0 H CYS A 36 -15.118 7.703 0.154 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.521 5.064 0.174 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -13.763 5.559 -1.045 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -14.512 3.990 -0.822 1.00 0.02 H new ATOM 0 HG CYS A 36 -16.790 5.687 -2.369 1.00 0.02 H new ATOM 567 N ASN A 37 -15.392 4.842 2.453 1.00 0.02 N ATOM 568 CA ASN A 37 -14.680 4.740 3.776 1.00 0.01 C ATOM 569 C ASN A 37 -14.203 3.310 4.059 1.00 0.02 C ATOM 570 O ASN A 37 -13.598 3.036 5.078 1.00 0.02 O ATOM 571 CB ASN A 37 -15.622 5.179 4.903 1.00 0.02 C ATOM 572 CG ASN A 37 -16.214 6.550 4.572 1.00 0.01 C ATOM 573 OD1 ASN A 37 -15.914 7.530 5.227 1.00 0.03 O ATOM 574 ND2 ASN A 37 -17.050 6.663 3.576 1.00 0.02 N ATOM 0 H ASN A 37 -16.306 4.390 2.415 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.807 5.391 3.730 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.420 4.448 5.029 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.079 5.224 5.847 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.451 7.573 3.348 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -17.302 5.842 3.026 1.00 0.02 H new ATOM 581 N SER A 38 -14.446 2.402 3.151 1.00 0.02 N ATOM 582 CA SER A 38 -13.990 0.993 3.338 1.00 0.02 C ATOM 583 C SER A 38 -13.863 0.348 1.959 1.00 0.01 C ATOM 584 O SER A 38 -14.517 0.750 1.016 1.00 0.02 O ATOM 585 CB SER A 38 -14.988 0.212 4.193 1.00 0.01 C ATOM 586 OG SER A 38 -14.863 0.619 5.549 1.00 0.02 O ATOM 0 H SER A 38 -14.946 2.578 2.279 1.00 0.02 H new ATOM 0 HA SER A 38 -13.029 0.981 3.853 1.00 0.02 H new ATOM 0 HB2 SER A 38 -16.004 0.389 3.840 1.00 0.01 H new ATOM 0 HB3 SER A 38 -14.802 -0.858 4.104 1.00 0.01 H new ATOM 0 HG SER A 38 -15.229 -0.077 6.134 1.00 0.02 H new ATOM 592 N ILE A 39 -13.010 -0.638 1.822 1.00 0.02 N ATOM 593 CA ILE A 39 -12.824 -1.286 0.484 1.00 0.02 C ATOM 594 C ILE A 39 -12.507 -2.776 0.642 1.00 0.02 C ATOM 595 O ILE A 39 -11.845 -3.203 1.568 1.00 0.02 O ATOM 596 CB ILE A 39 -11.643 -0.619 -0.230 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.742 0.903 -0.075 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.672 -0.981 -1.716 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.648 1.574 -0.909 1.00 0.00 C ATOM 0 H ILE A 39 -12.437 -1.021 2.574 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.745 -1.172 -0.088 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.710 -0.970 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.724 1.249 -0.398 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.636 1.180 0.974 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.832 -0.506 -2.223 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.599 -2.063 -1.828 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.606 -0.632 -2.157 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.719 2.656 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.670 1.237 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.775 1.307 -1.958 1.00 0.00 H new ATOM 611 N ARG A 40 -12.943 -3.563 -0.314 1.00 0.02 N ATOM 612 CA ARG A 40 -12.647 -5.029 -0.308 1.00 0.02 C ATOM 613 C ARG A 40 -11.947 -5.379 -1.623 1.00 0.01 C ATOM 614 O ARG A 40 -12.480 -5.145 -2.688 1.00 0.02 O ATOM 615 CB ARG A 40 -13.933 -5.851 -0.196 1.00 0.01 C ATOM 616 CG ARG A 40 -13.580 -7.326 0.001 1.00 0.02 C ATOM 617 CD ARG A 40 -14.844 -8.112 0.356 1.00 0.02 C ATOM 618 NE ARG A 40 -14.480 -9.522 0.664 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.334 -10.298 1.276 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.509 -9.841 1.616 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.013 -11.534 1.547 1.00 0.02 N ATOM 0 H ARG A 40 -13.499 -3.245 -1.108 1.00 0.02 H new ATOM 0 HA ARG A 40 -12.016 -5.262 0.550 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.533 -5.495 0.641 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.536 -5.727 -1.096 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -13.133 -7.728 -0.908 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.840 -7.431 0.794 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.339 -7.657 1.214 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.550 -8.080 -0.474 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.564 -9.882 0.397 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.762 -8.876 1.404 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.174 -10.449 2.094 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.096 -11.893 1.281 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.679 -12.141 2.025 1.00 0.02 H new ATOM 635 N VAL A 41 -10.787 -5.979 -1.564 1.00 0.02 N ATOM 636 CA VAL A 41 -10.089 -6.396 -2.819 1.00 0.01 C ATOM 637 C VAL A 41 -10.211 -7.917 -2.908 1.00 0.02 C ATOM 638 O VAL A 41 -9.694 -8.635 -2.075 1.00 0.02 O ATOM 639 CB VAL A 41 -8.624 -5.970 -2.778 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.963 -6.312 -4.116 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.551 -4.457 -2.560 1.00 0.00 C ATOM 0 H VAL A 41 -10.291 -6.199 -0.700 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.536 -5.923 -3.693 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.111 -6.489 -1.968 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.916 -6.010 -4.092 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -8.027 -7.386 -4.289 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.475 -5.784 -4.920 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.507 -4.144 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.059 -3.947 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.034 -4.202 -1.617 1.00 0.00 H new ATOM 651 N GLU A 42 -10.928 -8.407 -3.890 1.00 0.01 N ATOM 652 CA GLU A 42 -11.131 -9.882 -4.011 1.00 0.01 C ATOM 653 C GLU A 42 -9.956 -10.524 -4.740 1.00 0.02 C ATOM 654 O GLU A 42 -9.585 -11.644 -4.456 1.00 0.01 O ATOM 655 CB GLU A 42 -12.426 -10.157 -4.780 1.00 0.99 C ATOM 656 CG GLU A 42 -12.853 -11.612 -4.565 1.00 1.86 C ATOM 657 CD GLU A 42 -13.399 -11.780 -3.145 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.302 -11.043 -2.787 1.00 3.81 O ATOM 659 OE2 GLU A 42 -12.901 -12.642 -2.439 1.00 3.67 O ATOM 0 H GLU A 42 -11.381 -7.848 -4.613 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.199 -10.312 -3.012 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.212 -9.483 -4.441 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.278 -9.964 -5.843 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.614 -11.890 -5.294 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -12.004 -12.278 -4.721 1.00 1.86 H new ATOM 666 N GLY A 43 -9.369 -9.847 -5.683 1.00 0.01 N ATOM 667 CA GLY A 43 -8.229 -10.466 -6.408 1.00 0.02 C ATOM 668 C GLY A 43 -7.422 -9.401 -7.151 1.00 0.02 C ATOM 669 O GLY A 43 -7.959 -8.402 -7.591 1.00 0.02 O ATOM 0 H GLY A 43 -9.624 -8.905 -5.980 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.585 -10.992 -5.703 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.600 -11.208 -7.115 1.00 0.02 H new ATOM 673 N GLY A 44 -6.147 -9.623 -7.320 1.00 0.00 N ATOM 674 CA GLY A 44 -5.314 -8.630 -8.059 1.00 0.01 C ATOM 675 C GLY A 44 -4.838 -7.526 -7.109 1.00 0.01 C ATOM 676 O GLY A 44 -5.270 -7.435 -5.976 1.00 0.01 O ATOM 0 H GLY A 44 -5.647 -10.445 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.455 -9.128 -8.509 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.892 -8.194 -8.874 1.00 0.01 H new ATOM 680 N THR A 45 -3.972 -6.670 -7.590 1.00 0.01 N ATOM 681 CA THR A 45 -3.466 -5.527 -6.762 1.00 0.00 C ATOM 682 C THR A 45 -3.835 -4.226 -7.473 1.00 0.01 C ATOM 683 O THR A 45 -3.731 -4.136 -8.681 1.00 0.01 O ATOM 684 CB THR A 45 -1.944 -5.626 -6.633 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.608 -6.774 -5.868 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.407 -4.373 -5.938 1.00 1.48 C ATOM 0 H THR A 45 -3.588 -6.713 -8.534 1.00 0.01 H new ATOM 0 HA THR A 45 -3.909 -5.553 -5.766 1.00 0.00 H new ATOM 0 HB THR A 45 -1.500 -5.708 -7.625 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.634 -6.839 -5.786 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.323 -4.444 -5.846 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.665 -3.492 -6.526 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.850 -4.289 -4.946 1.00 1.48 H new ATOM 694 N TRP A 46 -4.328 -3.236 -6.758 1.00 0.02 N ATOM 695 CA TRP A 46 -4.765 -1.967 -7.435 1.00 0.01 C ATOM 696 C TRP A 46 -4.148 -0.722 -6.797 1.00 0.01 C ATOM 697 O TRP A 46 -3.805 -0.683 -5.633 1.00 0.01 O ATOM 698 CB TRP A 46 -6.288 -1.859 -7.338 1.00 0.00 C ATOM 699 CG TRP A 46 -6.914 -3.021 -8.038 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.838 -4.307 -7.628 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.710 -3.026 -9.259 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.535 -5.102 -8.519 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.091 -4.359 -9.542 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.135 -2.014 -10.141 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.864 -4.677 -10.658 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.913 -2.331 -11.265 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.278 -3.660 -11.523 1.00 0.01 C ATOM 0 H TRP A 46 -4.446 -3.251 -5.745 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.430 -2.012 -8.471 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.596 -1.841 -6.293 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.627 -0.925 -7.786 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.318 -4.656 -6.748 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.627 -6.114 -8.431 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.860 -0.987 -9.951 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.141 -5.702 -10.853 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.233 -1.547 -11.935 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.878 -3.898 -12.389 1.00 0.01 H new ATOM 718 N ALA A 47 -4.076 0.320 -7.582 1.00 0.01 N ATOM 719 CA ALA A 47 -3.570 1.638 -7.100 1.00 0.01 C ATOM 720 C ALA A 47 -4.796 2.546 -7.040 1.00 0.01 C ATOM 721 O ALA A 47 -5.587 2.580 -7.960 1.00 0.01 O ATOM 722 CB ALA A 47 -2.537 2.198 -8.082 1.00 0.24 C ATOM 0 H ALA A 47 -4.354 0.311 -8.563 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.080 1.557 -6.130 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.175 3.160 -7.720 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.701 1.504 -8.166 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.999 2.329 -9.060 1.00 0.24 H new ATOM 728 N VAL A 48 -4.949 3.294 -5.975 1.00 0.01 N ATOM 729 CA VAL A 48 -6.121 4.224 -5.860 1.00 0.02 C ATOM 730 C VAL A 48 -5.618 5.666 -5.810 1.00 0.01 C ATOM 731 O VAL A 48 -4.602 5.950 -5.207 1.00 0.01 O ATOM 732 CB VAL A 48 -6.918 3.906 -4.594 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.452 2.475 -4.676 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.007 4.041 -3.369 1.00 0.65 C ATOM 0 H VAL A 48 -4.313 3.302 -5.178 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.771 4.096 -6.725 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.752 4.602 -4.505 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.020 2.247 -3.774 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.099 2.378 -5.548 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.617 1.780 -4.765 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.575 3.814 -2.467 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.173 3.345 -3.457 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.624 5.060 -3.311 1.00 0.65 H new ATOM 744 N TYR A 49 -6.320 6.578 -6.444 1.00 0.01 N ATOM 745 CA TYR A 49 -5.888 8.012 -6.448 1.00 0.01 C ATOM 746 C TYR A 49 -6.986 8.881 -5.836 1.00 0.01 C ATOM 747 O TYR A 49 -8.170 8.630 -5.990 1.00 0.02 O ATOM 748 CB TYR A 49 -5.619 8.456 -7.887 1.00 0.01 C ATOM 749 CG TYR A 49 -4.389 7.746 -8.405 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.455 6.386 -8.731 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.183 8.446 -8.557 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.316 5.726 -9.210 1.00 0.01 C ATOM 753 CE2 TYR A 49 -2.047 7.785 -9.035 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.113 6.425 -9.361 1.00 0.02 C ATOM 755 OH TYR A 49 -0.992 5.775 -9.831 1.00 0.01 O ATOM 0 H TYR A 49 -7.178 6.388 -6.961 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.977 8.120 -5.859 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.478 8.227 -8.517 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.474 9.536 -7.926 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.383 5.846 -8.613 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.132 9.495 -8.305 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.366 4.677 -9.463 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.118 8.324 -9.153 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.243 6.406 -9.877 1.00 0.01 H new ATOM 765 N GLU A 50 -6.573 9.882 -5.106 1.00 0.01 N ATOM 766 CA GLU A 50 -7.530 10.783 -4.403 1.00 0.01 C ATOM 767 C GLU A 50 -8.383 11.586 -5.387 1.00 0.01 C ATOM 768 O GLU A 50 -9.523 11.888 -5.099 1.00 0.02 O ATOM 769 CB GLU A 50 -6.725 11.749 -3.531 1.00 0.02 C ATOM 770 CG GLU A 50 -7.679 12.716 -2.829 1.00 0.01 C ATOM 771 CD GLU A 50 -6.933 13.458 -1.718 1.00 0.02 C ATOM 772 OE1 GLU A 50 -6.492 12.805 -0.788 1.00 0.02 O ATOM 773 OE2 GLU A 50 -6.818 14.669 -1.816 1.00 0.01 O ATOM 0 H GLU A 50 -5.591 10.117 -4.965 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.204 10.174 -3.801 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -6.145 11.194 -2.794 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.014 12.303 -4.144 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -8.084 13.429 -3.547 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.524 12.169 -2.411 1.00 0.01 H new ATOM 780 N ARG A 51 -7.851 11.962 -6.529 1.00 0.02 N ATOM 781 CA ARG A 51 -8.655 12.779 -7.502 1.00 0.02 C ATOM 782 C ARG A 51 -8.681 12.066 -8.869 1.00 0.01 C ATOM 783 O ARG A 51 -7.816 11.257 -9.160 1.00 0.02 O ATOM 784 CB ARG A 51 -7.973 14.161 -7.639 1.00 0.02 C ATOM 785 CG ARG A 51 -8.619 15.167 -6.676 1.00 0.01 C ATOM 786 CD ARG A 51 -7.755 16.427 -6.599 1.00 0.02 C ATOM 787 NE ARG A 51 -7.694 17.070 -7.941 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.270 18.299 -8.058 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.895 18.961 -6.998 1.00 0.02 N ATOM 790 NH2 ARG A 51 -7.222 18.864 -9.233 1.00 0.01 N ATOM 0 H ARG A 51 -6.902 11.741 -6.829 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.680 12.899 -7.151 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.908 14.072 -7.424 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -8.062 14.519 -8.665 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.622 15.421 -7.018 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.723 14.723 -5.686 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -8.171 17.122 -5.870 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -6.751 16.172 -6.260 1.00 0.02 H new ATOM 0 HE ARG A 51 -7.984 16.550 -8.769 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.933 18.518 -6.080 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -6.563 19.921 -7.087 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -7.516 18.345 -10.061 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -6.891 19.824 -9.324 1.00 0.01 H new ATOM 804 N PRO A 52 -9.669 12.367 -9.702 1.00 0.02 N ATOM 805 CA PRO A 52 -9.787 11.725 -11.044 1.00 0.02 C ATOM 806 C PRO A 52 -8.505 11.843 -11.874 1.00 0.01 C ATOM 807 O PRO A 52 -7.615 12.619 -11.588 1.00 0.02 O ATOM 808 CB PRO A 52 -10.959 12.497 -11.692 1.00 0.02 C ATOM 809 CG PRO A 52 -11.403 13.610 -10.726 1.00 0.01 C ATOM 810 CD PRO A 52 -10.735 13.359 -9.366 1.00 0.01 C ATOM 0 HA PRO A 52 -9.956 10.650 -10.978 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.650 12.924 -12.646 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.789 11.822 -11.899 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -11.118 14.587 -11.115 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.488 13.613 -10.622 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.319 14.274 -8.944 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.440 12.964 -8.635 1.00 0.01 H new ATOM 818 N ASN A 53 -8.453 11.079 -12.929 1.00 0.02 N ATOM 819 CA ASN A 53 -7.285 11.118 -13.850 1.00 0.02 C ATOM 820 C ASN A 53 -6.005 10.669 -13.139 1.00 0.01 C ATOM 821 O ASN A 53 -4.927 11.169 -13.389 1.00 0.01 O ATOM 822 CB ASN A 53 -7.118 12.543 -14.384 1.00 0.01 C ATOM 823 CG ASN A 53 -8.495 13.146 -14.669 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.742 14.295 -14.361 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.408 12.415 -15.247 1.00 0.01 N ATOM 0 H ASN A 53 -9.183 10.419 -13.195 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.465 10.430 -14.676 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.585 13.155 -13.657 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.518 12.534 -15.294 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.329 12.808 -15.440 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -9.201 11.450 -15.506 1.00 0.01 H new ATOM 832 N PHE A 54 -6.126 9.704 -12.266 1.00 0.02 N ATOM 833 CA PHE A 54 -4.936 9.176 -11.540 1.00 0.01 C ATOM 834 C PHE A 54 -4.057 10.322 -11.033 1.00 0.01 C ATOM 835 O PHE A 54 -2.865 10.356 -11.260 1.00 0.02 O ATOM 836 CB PHE A 54 -4.130 8.272 -12.485 1.00 1.78 C ATOM 837 CG PHE A 54 -5.075 7.533 -13.408 1.00 2.32 C ATOM 838 CD1 PHE A 54 -6.049 6.680 -12.873 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.976 7.697 -14.797 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.924 5.994 -13.727 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.852 7.012 -15.648 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.825 6.162 -15.114 1.00 3.39 C ATOM 0 H PHE A 54 -7.009 9.255 -12.023 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.272 8.601 -10.678 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.430 8.870 -13.068 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.539 7.561 -11.908 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.126 6.551 -11.803 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.224 8.352 -15.211 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.675 5.336 -13.315 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.776 7.140 -16.718 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.501 5.635 -15.771 1.00 3.39 H new ATOM 852 N SER A 55 -4.660 11.260 -10.343 1.00 0.02 N ATOM 853 CA SER A 55 -3.896 12.431 -9.797 1.00 0.02 C ATOM 854 C SER A 55 -4.133 12.550 -8.289 1.00 0.01 C ATOM 855 O SER A 55 -5.050 11.965 -7.747 1.00 0.01 O ATOM 856 CB SER A 55 -4.379 13.708 -10.486 1.00 1.90 C ATOM 857 OG SER A 55 -3.567 14.801 -10.072 1.00 2.33 O ATOM 0 H SER A 55 -5.658 11.266 -10.132 1.00 0.02 H new ATOM 0 HA SER A 55 -2.832 12.287 -9.982 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.329 13.592 -11.569 1.00 1.90 H new ATOM 0 HB3 SER A 55 -5.422 13.899 -10.234 1.00 1.90 H new ATOM 0 HG SER A 55 -3.873 15.621 -10.513 1.00 2.33 H new ATOM 863 N GLY A 56 -3.302 13.294 -7.601 1.00 0.02 N ATOM 864 CA GLY A 56 -3.463 13.445 -6.123 1.00 0.02 C ATOM 865 C GLY A 56 -2.697 12.330 -5.401 1.00 0.02 C ATOM 866 O GLY A 56 -1.812 11.714 -5.961 1.00 0.00 O ATOM 0 H GLY A 56 -2.516 13.805 -8.002 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -3.091 14.419 -5.805 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.519 13.405 -5.857 1.00 0.02 H new ATOM 870 N HIS A 57 -3.008 12.079 -4.157 1.00 0.02 N ATOM 871 CA HIS A 57 -2.274 11.022 -3.401 1.00 0.02 C ATOM 872 C HIS A 57 -2.534 9.650 -4.024 1.00 0.01 C ATOM 873 O HIS A 57 -3.647 9.333 -4.387 1.00 0.01 O ATOM 874 CB HIS A 57 -2.746 11.024 -1.946 1.00 0.00 C ATOM 875 CG HIS A 57 -2.841 12.442 -1.451 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.933 13.250 -1.724 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.985 13.210 -0.699 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.709 14.443 -1.145 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.536 14.473 -0.507 1.00 0.01 N ATOM 0 H HIS A 57 -3.738 12.560 -3.632 1.00 0.02 H new ATOM 0 HA HIS A 57 -1.205 11.229 -3.442 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.716 10.534 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.051 10.457 -1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.030 12.883 -0.315 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -4.395 15.276 -1.190 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -2.131 15.254 0.010 1.00 0.01 H new ATOM 887 N MET A 58 -1.509 8.831 -4.138 1.00 0.02 N ATOM 888 CA MET A 58 -1.672 7.463 -4.731 1.00 0.02 C ATOM 889 C MET A 58 -1.297 6.401 -3.690 1.00 0.01 C ATOM 890 O MET A 58 -0.317 6.527 -2.983 1.00 0.01 O ATOM 891 CB MET A 58 -0.746 7.328 -5.942 1.00 2.61 C ATOM 892 CG MET A 58 0.708 7.495 -5.496 1.00 3.46 C ATOM 893 SD MET A 58 1.769 7.681 -6.951 1.00 4.50 S ATOM 894 CE MET A 58 2.080 5.920 -7.230 1.00 5.01 C ATOM 0 H MET A 58 -0.559 9.056 -3.842 1.00 0.02 H new ATOM 0 HA MET A 58 -2.708 7.321 -5.037 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.884 6.354 -6.411 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.996 8.080 -6.690 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.803 8.367 -4.850 1.00 3.46 H new ATOM 0 HG3 MET A 58 1.022 6.630 -4.912 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.727 5.798 -8.098 1.00 5.01 H new ATOM 0 HE2 MET A 58 2.566 5.493 -6.353 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.135 5.407 -7.407 1.00 5.01 H new ATOM 904 N TYR A 59 -2.080 5.357 -3.593 1.00 0.02 N ATOM 905 CA TYR A 59 -1.800 4.264 -2.604 1.00 0.01 C ATOM 906 C TYR A 59 -1.954 2.900 -3.286 1.00 0.01 C ATOM 907 O TYR A 59 -2.857 2.678 -4.066 1.00 0.02 O ATOM 908 CB TYR A 59 -2.798 4.353 -1.449 1.00 0.01 C ATOM 909 CG TYR A 59 -2.500 5.575 -0.615 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.571 5.497 0.431 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.151 6.784 -0.883 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.295 6.628 1.206 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.874 7.916 -0.106 1.00 0.01 C ATOM 914 CZ TYR A 59 -1.946 7.836 0.938 1.00 0.01 C ATOM 915 OH TYR A 59 -1.672 8.952 1.703 1.00 0.01 O ATOM 0 H TYR A 59 -2.913 5.211 -4.163 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.783 4.376 -2.227 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.815 4.405 -1.837 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.737 3.456 -0.833 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.068 4.564 0.639 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.867 6.844 -1.689 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.579 6.568 2.012 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.376 8.850 -0.313 1.00 0.01 H new ATOM 0 HH TYR A 59 -0.930 9.451 1.300 1.00 0.01 H new ATOM 925 N ILE A 60 -1.072 1.979 -2.978 1.00 0.02 N ATOM 926 CA ILE A 60 -1.141 0.609 -3.577 1.00 0.01 C ATOM 927 C ILE A 60 -1.898 -0.317 -2.618 1.00 0.01 C ATOM 928 O ILE A 60 -1.630 -0.338 -1.432 1.00 0.01 O ATOM 929 CB ILE A 60 0.280 0.078 -3.784 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.149 1.156 -4.446 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.237 -1.164 -4.676 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.445 1.711 -5.687 1.00 1.72 C ATOM 0 H ILE A 60 -0.298 2.121 -2.329 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.658 0.647 -4.536 1.00 0.01 H new ATOM 0 HB ILE A 60 0.709 -0.183 -2.817 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.344 1.962 -3.738 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.115 0.735 -4.724 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.249 -1.542 -4.823 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.372 -1.933 -4.200 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.197 -0.904 -5.641 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.070 2.475 -6.149 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.273 0.904 -6.399 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.510 2.150 -5.398 1.00 1.72 H new ATOM 944 N LEU A 61 -2.865 -1.059 -3.114 1.00 0.01 N ATOM 945 CA LEU A 61 -3.674 -1.963 -2.224 1.00 0.01 C ATOM 946 C LEU A 61 -3.551 -3.444 -2.684 1.00 0.01 C ATOM 947 O LEU A 61 -4.078 -3.801 -3.722 1.00 0.00 O ATOM 948 CB LEU A 61 -5.164 -1.518 -2.314 1.00 0.01 C ATOM 949 CG LEU A 61 -5.658 -0.966 -0.963 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.967 -0.206 -1.166 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.900 -2.122 0.012 1.00 0.01 C ATOM 0 H LEU A 61 -3.130 -1.078 -4.099 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.306 -1.892 -1.200 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.273 -0.755 -3.085 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.783 -2.364 -2.613 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.901 -0.295 -0.556 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.314 0.183 -0.209 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.804 0.621 -1.857 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.719 -0.879 -1.578 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.249 -1.726 0.966 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.653 -2.794 -0.400 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.970 -2.670 0.165 1.00 0.01 H new ATOM 963 N PRO A 62 -2.903 -4.321 -1.928 1.00 0.02 N ATOM 964 CA PRO A 62 -2.826 -5.754 -2.331 1.00 0.01 C ATOM 965 C PRO A 62 -4.155 -6.465 -2.017 1.00 0.00 C ATOM 966 O PRO A 62 -5.008 -5.923 -1.342 1.00 0.02 O ATOM 967 CB PRO A 62 -1.679 -6.282 -1.457 1.00 1.47 C ATOM 968 CG PRO A 62 -1.477 -5.291 -0.296 1.00 1.29 C ATOM 969 CD PRO A 62 -2.200 -3.975 -0.653 1.00 0.82 C ATOM 0 HA PRO A 62 -2.655 -5.913 -3.396 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.916 -7.275 -1.075 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.764 -6.376 -2.043 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.876 -5.704 0.630 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.415 -5.109 -0.132 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.900 -3.673 0.126 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.499 -3.151 -0.788 1.00 0.82 H new ATOM 977 N GLN A 63 -4.345 -7.665 -2.500 1.00 0.02 N ATOM 978 CA GLN A 63 -5.624 -8.386 -2.225 1.00 0.00 C ATOM 979 C GLN A 63 -5.903 -8.424 -0.719 1.00 0.00 C ATOM 980 O GLN A 63 -5.001 -8.596 0.078 1.00 0.02 O ATOM 981 CB GLN A 63 -5.516 -9.818 -2.753 1.00 1.27 C ATOM 982 CG GLN A 63 -4.229 -10.459 -2.231 1.00 1.67 C ATOM 983 CD GLN A 63 -4.118 -11.889 -2.762 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.698 -12.221 -3.776 1.00 4.25 O ATOM 985 NE2 GLN A 63 -3.389 -12.757 -2.116 1.00 3.04 N ATOM 0 H GLN A 63 -3.672 -8.176 -3.071 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.440 -7.862 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.380 -10.401 -2.434 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.518 -9.816 -3.843 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.365 -9.874 -2.547 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.229 -10.464 -1.141 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -2.901 -12.480 -1.264 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -3.307 -13.713 -2.463 1.00 3.04 H new ATOM 994 N GLY A 64 -7.142 -8.275 -0.313 1.00 0.02 N ATOM 995 CA GLY A 64 -7.445 -8.318 1.150 1.00 0.01 C ATOM 996 C GLY A 64 -8.729 -7.539 1.462 1.00 0.02 C ATOM 997 O GLY A 64 -9.401 -7.032 0.585 1.00 0.02 O ATOM 0 H GLY A 64 -7.946 -8.127 -0.923 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.554 -9.353 1.473 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.612 -7.895 1.711 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.076 -7.452 2.723 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.316 -6.720 3.141 1.00 0.02 C ATOM 1003 C GLU A 65 -9.949 -5.582 4.097 1.00 0.02 C ATOM 1004 O GLU A 65 -9.222 -5.766 5.054 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.244 -7.699 3.863 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.620 -7.058 4.043 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.431 -7.864 5.058 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -12.985 -7.975 6.189 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -14.488 -8.353 4.689 1.00 0.71 O ATOM 0 H GLU A 65 -8.546 -7.862 3.492 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.811 -6.306 2.262 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.333 -8.622 3.290 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.825 -7.965 4.833 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.511 -6.029 4.384 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -13.144 -7.024 3.088 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.470 -4.405 3.843 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.196 -3.226 4.722 1.00 0.02 C ATOM 1018 C TYR A 66 -11.550 -2.689 5.231 1.00 0.02 C ATOM 1019 O TYR A 66 -12.205 -1.935 4.533 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.500 -2.157 3.880 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.203 -2.727 3.360 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.213 -3.585 2.255 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -6.994 -2.411 3.990 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.014 -4.125 1.779 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.795 -2.952 3.515 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.805 -3.809 2.409 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.622 -4.344 1.940 1.00 0.01 O ATOM 0 H TYR A 66 -11.083 -4.210 3.051 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.563 -3.497 5.567 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.139 -1.852 3.051 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.309 -1.267 4.480 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.146 -3.830 1.770 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -6.987 -1.749 4.843 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.021 -4.786 0.925 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.862 -2.708 4.002 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.877 -4.022 2.490 1.00 0.01 H new ATOM 1037 N PRO A 67 -11.991 -3.079 6.416 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.309 -2.607 6.934 1.00 0.02 C ATOM 1039 C PRO A 67 -13.354 -1.103 7.239 1.00 0.02 C ATOM 1040 O PRO A 67 -14.393 -0.579 7.586 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.498 -3.449 8.218 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.254 -4.343 8.407 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.235 -4.009 7.302 1.00 0.01 C ATOM 0 HA PRO A 67 -14.101 -2.736 6.196 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.631 -2.797 9.082 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.396 -4.062 8.140 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.814 -4.176 9.390 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.534 -5.395 8.358 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.339 -3.540 7.708 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.913 -4.902 6.767 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.266 -0.394 7.098 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.306 1.073 7.372 1.00 0.01 C ATOM 1053 C GLU A 68 -11.147 1.729 6.622 1.00 0.03 C ATOM 1054 O GLU A 68 -10.167 1.099 6.283 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.144 1.335 8.874 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.392 0.862 9.626 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.379 1.438 11.043 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -12.430 2.132 11.368 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -14.318 1.176 11.778 1.00 2.02 O ATOM 0 H GLU A 68 -11.360 -0.762 6.808 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.261 1.483 7.045 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.264 0.814 9.250 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.984 2.399 9.051 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.291 1.183 9.099 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.416 -0.227 9.664 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.287 2.989 6.321 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.238 3.697 5.536 1.00 0.02 C ATOM 1068 C TYR A 69 -8.885 3.694 6.254 1.00 0.01 C ATOM 1069 O TYR A 69 -7.847 3.553 5.636 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.697 5.130 5.246 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.870 5.883 6.543 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -12.042 5.725 7.294 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.861 6.743 6.994 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.204 6.427 8.495 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -10.022 7.444 8.193 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.195 7.286 8.944 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.354 7.977 10.127 1.00 0.01 O ATOM 0 H TYR A 69 -12.088 3.562 6.586 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.097 3.163 4.596 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.965 5.636 4.616 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.637 5.116 4.695 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.821 5.062 6.947 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.957 6.865 6.415 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.107 6.305 9.074 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.243 8.107 8.540 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.561 8.528 10.293 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.880 3.861 7.551 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.593 3.869 8.307 1.00 0.02 C ATOM 1089 C GLN A 70 -6.857 2.535 8.124 1.00 0.01 C ATOM 1090 O GLN A 70 -5.653 2.450 8.260 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.887 4.076 9.796 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.609 5.409 9.995 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.610 5.771 11.482 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -7.694 5.431 12.202 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -9.607 6.452 11.976 1.00 0.02 N ATOM 0 H GLN A 70 -9.716 3.993 8.121 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.966 4.676 7.929 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.501 3.258 10.173 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.958 4.065 10.366 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.115 6.192 9.419 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.632 5.339 9.626 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -10.378 6.739 11.372 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -9.616 6.698 12.966 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.586 1.494 7.809 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.945 0.160 7.609 1.00 0.02 C ATOM 1106 C ARG A 71 -6.115 0.197 6.328 1.00 0.01 C ATOM 1107 O ARG A 71 -5.240 -0.619 6.107 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.025 -0.921 7.489 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.868 -0.970 8.776 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.166 -1.822 9.841 1.00 1.04 C ATOM 1111 NE ARG A 71 -9.066 -1.980 11.017 1.00 1.67 N ATOM 1112 CZ ARG A 71 -8.817 -2.896 11.911 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.777 -3.675 11.775 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.606 -3.033 12.941 1.00 3.42 N ATOM 0 H ARG A 71 -8.598 1.511 7.682 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.304 -0.070 8.460 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.666 -0.712 6.633 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.561 -1.891 7.311 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.025 0.040 9.154 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.852 -1.386 8.559 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.910 -2.799 9.431 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.232 -1.349 10.144 1.00 1.04 H new ATOM 0 HE ARG A 71 -9.878 -1.371 11.123 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.160 -3.566 10.970 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.582 -4.392 12.474 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.417 -2.424 13.047 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.412 -3.749 13.641 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.396 1.154 5.485 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.659 1.300 4.195 1.00 0.01 C ATOM 1130 C TRP A 72 -4.748 2.529 4.320 1.00 0.01 C ATOM 1131 O TRP A 72 -4.171 3.004 3.363 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.717 1.455 3.074 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.247 2.343 1.962 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.201 2.090 1.145 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.807 3.616 1.530 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.081 3.130 0.240 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.047 4.096 0.438 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.890 4.395 1.978 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.351 5.305 -0.187 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.197 5.613 1.350 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.429 6.067 0.271 1.00 0.02 C ATOM 0 H TRP A 72 -7.120 1.855 5.639 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.034 0.439 3.957 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.962 0.472 2.671 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.634 1.863 3.498 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.564 1.219 1.191 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.365 3.177 -0.485 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.489 4.054 2.810 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.757 5.650 -1.020 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.031 6.203 1.701 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.670 7.005 -0.207 1.00 0.02 H new ATOM 1152 N MET A 73 -4.617 3.037 5.515 1.00 0.02 N ATOM 1153 CA MET A 73 -3.754 4.229 5.750 1.00 0.02 C ATOM 1154 C MET A 73 -4.268 5.429 4.946 1.00 0.01 C ATOM 1155 O MET A 73 -3.540 6.356 4.657 1.00 0.02 O ATOM 1156 CB MET A 73 -2.314 3.910 5.333 1.00 0.02 C ATOM 1157 CG MET A 73 -1.938 2.504 5.813 1.00 0.01 C ATOM 1158 SD MET A 73 -0.139 2.309 5.748 1.00 0.01 S ATOM 1159 CE MET A 73 -0.061 0.677 6.525 1.00 0.01 C ATOM 0 H MET A 73 -5.077 2.672 6.349 1.00 0.02 H new ATOM 0 HA MET A 73 -3.782 4.479 6.810 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.216 3.973 4.249 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.631 4.645 5.758 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.296 2.347 6.831 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.419 1.753 5.187 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.978 0.354 6.589 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.487 0.730 7.527 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.627 -0.038 5.928 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.524 5.409 4.586 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.094 6.538 3.804 1.00 0.02 C ATOM 1171 C GLY A 74 -5.961 7.830 4.608 1.00 0.01 C ATOM 1172 O GLY A 74 -6.126 7.841 5.813 1.00 0.01 O ATOM 0 H GLY A 74 -6.179 4.657 4.801 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.573 6.634 2.851 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.142 6.345 3.576 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.709 8.930 3.950 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.622 10.223 4.685 1.00 0.02 C ATOM 1178 C LEU A 75 -7.052 10.698 4.962 1.00 0.01 C ATOM 1179 O LEU A 75 -7.330 11.336 5.959 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.871 11.255 3.839 1.00 0.55 C ATOM 1181 CG LEU A 75 -3.640 10.600 3.205 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -2.846 11.654 2.433 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -2.758 10.001 4.305 1.00 0.42 C ATOM 0 H LEU A 75 -5.561 8.989 2.943 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.079 10.097 5.622 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -5.526 11.650 3.062 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -4.568 12.098 4.460 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.957 9.811 2.523 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -1.969 11.190 1.981 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -3.474 12.082 1.651 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -2.528 12.442 3.116 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -1.882 9.535 3.855 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -2.440 10.790 4.986 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -3.324 9.251 4.858 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.967 10.357 4.091 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.397 10.724 4.265 1.00 0.02 C ATOM 1197 C ASN A 76 -10.204 9.718 3.442 1.00 0.02 C ATOM 1198 O ASN A 76 -9.658 8.745 2.961 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.641 12.148 3.757 1.00 0.02 C ATOM 1200 CG ASN A 76 -9.353 12.210 2.257 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -10.092 12.818 1.508 1.00 0.01 O ATOM 1202 ND2 ASN A 76 -8.299 11.603 1.781 1.00 0.02 N ATOM 0 H ASN A 76 -7.772 9.824 3.243 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.690 10.697 5.315 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -10.672 12.444 3.953 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.001 12.851 4.290 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -8.097 11.640 0.782 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -7.678 11.092 2.408 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.487 9.913 3.279 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.295 8.924 2.494 1.00 0.01 C ATOM 1211 C ASP A 77 -12.493 9.408 1.054 1.00 0.01 C ATOM 1212 O ASP A 77 -13.484 9.088 0.426 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.667 8.765 3.153 1.00 0.01 C ATOM 1214 CG ASP A 77 -13.484 8.286 4.595 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -12.820 7.281 4.784 1.00 0.02 O ATOM 1216 OD2 ASP A 77 -14.010 8.935 5.484 1.00 0.01 O ATOM 0 H ASP A 77 -12.009 10.706 3.651 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.764 7.972 2.478 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.202 9.714 3.138 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -14.271 8.050 2.594 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.582 10.188 0.522 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.757 10.698 -0.877 1.00 0.01 C ATOM 1223 C ARG A 78 -10.994 9.822 -1.878 1.00 0.02 C ATOM 1224 O ARG A 78 -9.793 9.665 -1.797 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.251 12.140 -0.960 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.538 12.703 -2.354 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.115 14.171 -2.410 1.00 1.00 C ATOM 1228 NE ARG A 78 -11.867 14.943 -1.380 1.00 1.30 N ATOM 1229 CZ ARG A 78 -11.470 16.139 -1.044 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -10.419 16.660 -1.614 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -12.125 16.815 -0.140 1.00 3.20 N ATOM 0 H ARG A 78 -10.729 10.493 0.992 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.817 10.663 -1.131 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.739 12.752 -0.202 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -10.181 12.173 -0.756 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -10.998 12.129 -3.107 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.600 12.611 -2.583 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.043 14.259 -2.235 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.311 14.580 -3.401 1.00 1.00 H new ATOM 0 HE ARG A 78 -12.691 14.536 -0.938 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -9.908 16.132 -2.322 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -10.108 17.595 -1.352 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -12.948 16.408 0.304 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -11.814 17.750 0.122 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.690 9.275 -2.842 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.035 8.428 -3.888 1.00 0.01 C ATOM 1247 C LEU A 79 -11.724 8.724 -5.223 1.00 0.01 C ATOM 1248 O LEU A 79 -12.920 8.557 -5.352 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.212 6.949 -3.540 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.302 6.579 -2.359 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.587 5.133 -1.941 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.816 6.727 -2.753 1.00 2.61 C ATOM 0 H LEU A 79 -12.699 9.380 -2.951 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.969 8.649 -3.946 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.253 6.748 -3.286 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.970 6.331 -4.405 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.506 7.252 -1.526 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.944 4.863 -1.103 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.631 5.040 -1.643 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.388 4.466 -2.780 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.186 6.461 -1.904 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.594 6.066 -3.591 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.617 7.759 -3.043 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.993 9.205 -6.202 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.619 9.566 -7.516 1.00 0.02 C ATOM 1266 C GLY A 80 -11.218 8.609 -8.647 1.00 0.02 C ATOM 1267 O GLY A 80 -11.873 8.569 -9.668 1.00 0.01 O ATOM 0 H GLY A 80 -9.987 9.364 -6.147 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.704 9.562 -7.410 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.329 10.582 -7.785 1.00 0.02 H new ATOM 1271 N SER A 81 -10.166 7.837 -8.517 1.00 0.01 N ATOM 1272 CA SER A 81 -9.803 6.926 -9.655 1.00 0.01 C ATOM 1273 C SER A 81 -8.984 5.736 -9.164 1.00 0.02 C ATOM 1274 O SER A 81 -8.345 5.781 -8.133 1.00 0.01 O ATOM 1275 CB SER A 81 -8.983 7.703 -10.683 1.00 0.01 C ATOM 1276 OG SER A 81 -8.461 6.800 -11.647 1.00 0.01 O ATOM 0 H SER A 81 -9.557 7.795 -7.700 1.00 0.01 H new ATOM 0 HA SER A 81 -10.724 6.555 -10.105 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.606 8.453 -11.170 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.170 8.236 -10.189 1.00 0.01 H new ATOM 0 HG SER A 81 -7.676 7.199 -12.077 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.005 4.658 -9.915 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.232 3.443 -9.515 1.00 0.01 C ATOM 1284 C CYS A 82 -7.699 2.716 -10.756 1.00 0.01 C ATOM 1285 O CYS A 82 -8.314 2.721 -11.804 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.140 2.501 -8.721 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.028 3.443 -7.455 1.00 0.02 S ATOM 0 H CYS A 82 -9.525 4.570 -10.788 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.388 3.749 -8.898 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.849 2.012 -9.390 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -8.547 1.714 -8.255 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.329 4.487 -7.121 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.556 2.085 -10.634 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.962 1.342 -11.795 1.00 0.01 C ATOM 1295 C ARG A 83 -5.392 0.009 -11.301 1.00 0.01 C ATOM 1296 O ARG A 83 -4.851 -0.086 -10.217 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.803 2.145 -12.389 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.340 3.405 -13.068 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.188 4.377 -13.333 1.00 0.01 C ATOM 1300 NE ARG A 83 -2.968 3.610 -13.713 1.00 0.01 N ATOM 1301 CZ ARG A 83 -1.961 4.224 -14.272 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -2.024 5.508 -14.498 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -0.892 3.554 -14.604 1.00 0.01 N ATOM 0 H ARG A 83 -6.005 2.051 -9.776 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.738 1.184 -12.544 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.097 2.417 -11.604 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.259 1.536 -13.111 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -5.831 3.144 -14.005 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -6.091 3.879 -12.436 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.458 5.069 -14.130 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.992 4.976 -12.444 1.00 0.01 H new ATOM 0 HE ARG A 83 -2.920 2.607 -13.536 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.860 6.031 -14.238 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.237 5.988 -14.935 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -0.843 2.551 -14.427 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -0.105 4.033 -15.041 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.512 -1.026 -12.091 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.981 -2.351 -11.670 1.00 0.01 C ATOM 1319 C ALA A 84 -3.466 -2.391 -11.888 1.00 0.01 C ATOM 1320 O ALA A 84 -2.963 -2.051 -12.940 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.637 -3.454 -12.504 1.00 0.43 C ATOM 0 H ALA A 84 -5.955 -1.008 -13.009 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.203 -2.507 -10.614 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.248 -4.424 -12.195 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.716 -3.431 -12.353 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.415 -3.293 -13.559 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.741 -2.827 -10.892 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.257 -2.923 -11.011 1.00 0.01 C ATOM 1329 C VAL A 85 -0.890 -4.317 -11.521 1.00 0.01 C ATOM 1330 O VAL A 85 -1.272 -5.311 -10.937 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.615 -2.696 -9.641 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.900 -2.557 -9.799 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.179 -1.416 -9.021 1.00 1.12 C ATOM 0 H VAL A 85 -3.118 -3.124 -9.992 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.894 -2.166 -11.706 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.835 -3.545 -8.994 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.354 -2.395 -8.822 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.305 -3.467 -10.241 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.122 -1.709 -10.447 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.723 -1.253 -8.045 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.958 -0.569 -9.671 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.258 -1.513 -8.905 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.151 -4.414 -12.596 1.00 0.01 N ATOM 1344 CA HIS A 86 0.235 -5.760 -13.117 1.00 0.01 C ATOM 1345 C HIS A 86 1.604 -6.140 -12.548 1.00 0.01 C ATOM 1346 O HIS A 86 2.539 -5.366 -12.584 1.00 0.00 O ATOM 1347 CB HIS A 86 0.323 -5.709 -14.643 1.00 0.21 C ATOM 1348 CG HIS A 86 -0.914 -5.052 -15.194 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -0.869 -4.165 -16.257 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.238 -5.143 -14.837 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.129 -3.760 -16.502 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.003 -4.326 -15.665 1.00 1.71 N ATOM 0 H HIS A 86 0.201 -3.622 -13.134 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.511 -6.497 -12.819 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.210 -5.154 -14.949 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.423 -6.717 -15.046 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.626 -5.755 -14.036 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -2.400 -3.062 -17.280 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.013 -4.189 -15.638 1.00 1.71 H new ATOM 1360 N LEU A 87 1.722 -7.331 -12.020 1.00 0.01 N ATOM 1361 CA LEU A 87 3.026 -7.782 -11.439 1.00 0.01 C ATOM 1362 C LEU A 87 3.773 -8.594 -12.501 1.00 0.01 C ATOM 1363 O LEU A 87 3.183 -9.387 -13.209 1.00 0.01 O ATOM 1364 CB LEU A 87 2.744 -8.667 -10.207 1.00 0.67 C ATOM 1365 CG LEU A 87 1.469 -8.199 -9.496 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.263 -9.040 -8.232 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.600 -6.721 -9.108 1.00 1.34 C ATOM 0 H LEU A 87 0.968 -8.016 -11.965 1.00 0.01 H new ATOM 0 HA LEU A 87 3.630 -6.926 -11.137 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.636 -9.707 -10.515 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.589 -8.624 -9.519 1.00 0.67 H new ATOM 0 HG LEU A 87 0.617 -8.318 -10.165 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.358 -8.713 -7.721 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.166 -10.091 -8.506 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.119 -8.916 -7.569 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.690 -6.395 -8.603 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.451 -6.594 -8.439 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.751 -6.121 -10.005 1.00 1.34 H new ATOM 1379 N SER A 88 5.071 -8.420 -12.604 1.00 0.01 N ATOM 1380 CA SER A 88 5.878 -9.191 -13.601 1.00 0.01 C ATOM 1381 C SER A 88 6.798 -10.167 -12.862 1.00 0.01 C ATOM 1382 O SER A 88 7.563 -9.751 -12.014 1.00 0.01 O ATOM 1383 CB SER A 88 6.738 -8.231 -14.425 1.00 0.81 C ATOM 1384 OG SER A 88 5.906 -7.239 -15.009 1.00 1.08 O ATOM 0 H SER A 88 5.610 -7.769 -12.033 1.00 0.01 H new ATOM 0 HA SER A 88 5.204 -9.737 -14.261 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.491 -7.763 -13.791 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.271 -8.778 -15.202 1.00 0.81 H new ATOM 0 HG SER A 88 6.454 -6.621 -15.536 1.00 1.08 H new ATOM 1390 N SER A 89 6.793 -11.435 -13.189 1.00 0.01 N ATOM 1391 CA SER A 89 7.738 -12.383 -12.515 1.00 0.01 C ATOM 1392 C SER A 89 8.855 -12.673 -13.517 1.00 0.01 C ATOM 1393 O SER A 89 9.089 -11.874 -14.403 1.00 0.01 O ATOM 1394 CB SER A 89 7.002 -13.677 -12.159 1.00 0.43 C ATOM 1395 OG SER A 89 5.926 -13.379 -11.281 1.00 1.26 O ATOM 0 H SER A 89 6.181 -11.855 -13.888 1.00 0.01 H new ATOM 0 HA SER A 89 8.139 -11.959 -11.595 1.00 0.01 H new ATOM 0 HB2 SER A 89 6.627 -14.156 -13.063 1.00 0.43 H new ATOM 0 HB3 SER A 89 7.688 -14.381 -11.687 1.00 0.43 H new ATOM 0 HG SER A 89 5.452 -14.206 -11.053 1.00 1.26 H new ATOM 1401 N GLY A 90 9.525 -13.801 -13.445 1.00 0.01 N ATOM 1402 CA GLY A 90 10.587 -14.101 -14.462 1.00 0.00 C ATOM 1403 C GLY A 90 11.845 -14.718 -13.843 1.00 0.00 C ATOM 1404 O GLY A 90 12.297 -15.759 -14.277 1.00 0.01 O ATOM 0 H GLY A 90 9.385 -14.520 -12.735 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.184 -14.783 -15.211 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.857 -13.181 -14.981 1.00 0.00 H new ATOM 1408 N GLY A 91 12.425 -14.112 -12.837 1.00 0.00 N ATOM 1409 CA GLY A 91 13.645 -14.728 -12.244 1.00 0.00 C ATOM 1410 C GLY A 91 14.216 -13.885 -11.097 1.00 0.00 C ATOM 1411 O GLY A 91 13.724 -13.946 -9.988 1.00 0.01 O ATOM 0 H GLY A 91 12.114 -13.239 -12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.405 -15.725 -11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.403 -14.848 -13.018 1.00 0.00 H new ATOM 1415 N GLN A 92 15.260 -13.124 -11.337 1.00 1.80 N ATOM 1416 CA GLN A 92 15.878 -12.304 -10.237 1.00 2.31 C ATOM 1417 C GLN A 92 15.867 -10.816 -10.600 1.00 1.91 C ATOM 1418 O GLN A 92 16.449 -10.388 -11.577 1.00 2.31 O ATOM 1419 CB GLN A 92 17.315 -12.786 -10.019 1.00 2.11 C ATOM 1420 CG GLN A 92 17.872 -12.171 -8.735 1.00 2.86 C ATOM 1421 CD GLN A 92 17.208 -12.828 -7.524 1.00 3.70 C ATOM 1422 OE1 GLN A 92 16.650 -13.902 -7.628 1.00 3.99 O ATOM 1423 NE2 GLN A 92 17.246 -12.222 -6.367 1.00 4.43 N ATOM 0 H GLN A 92 15.713 -13.034 -12.247 1.00 1.80 H new ATOM 0 HA GLN A 92 15.300 -12.428 -9.321 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.339 -13.874 -9.953 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.937 -12.504 -10.869 1.00 2.11 H new ATOM 0 HG2 GLN A 92 18.952 -12.311 -8.691 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.689 -11.097 -8.725 1.00 2.86 H new ATOM 0 HE21 GLN A 92 17.714 -11.320 -6.279 1.00 4.43 H new ATOM 0 HE22 GLN A 92 16.807 -12.651 -5.552 1.00 4.43 H new ATOM 1432 N ALA A 93 15.192 -10.034 -9.797 1.00 0.01 N ATOM 1433 CA ALA A 93 15.123 -8.570 -10.074 1.00 0.01 C ATOM 1434 C ALA A 93 16.419 -7.898 -9.596 1.00 0.01 C ATOM 1435 O ALA A 93 16.862 -8.110 -8.484 1.00 0.01 O ATOM 1436 CB ALA A 93 13.921 -7.962 -9.340 1.00 2.99 C ATOM 0 H ALA A 93 14.689 -10.345 -8.966 1.00 0.01 H new ATOM 0 HA ALA A 93 15.006 -8.408 -11.146 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.873 -6.892 -9.544 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.004 -8.439 -9.686 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.031 -8.122 -8.267 1.00 2.99 H new ATOM 1442 N LYS A 94 17.031 -7.097 -10.432 1.00 0.00 N ATOM 1443 CA LYS A 94 18.308 -6.405 -10.052 1.00 0.01 C ATOM 1444 C LYS A 94 18.176 -4.906 -10.357 1.00 0.01 C ATOM 1445 O LYS A 94 17.571 -4.522 -11.338 1.00 0.01 O ATOM 1446 CB LYS A 94 19.442 -7.013 -10.880 1.00 2.49 C ATOM 1447 CG LYS A 94 20.782 -6.423 -10.430 1.00 3.43 C ATOM 1448 CD LYS A 94 21.929 -7.282 -10.970 1.00 4.11 C ATOM 1449 CE LYS A 94 21.941 -7.220 -12.498 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.247 -7.728 -13.004 1.00 6.36 N ATOM 0 H LYS A 94 16.699 -6.889 -11.374 1.00 0.00 H new ATOM 0 HA LYS A 94 18.517 -6.531 -8.990 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.452 -8.096 -10.761 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.281 -6.810 -11.939 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.880 -5.399 -10.791 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.826 -6.382 -9.342 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.880 -6.927 -10.574 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.811 -8.314 -10.639 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.124 -7.817 -12.904 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.783 -6.195 -12.833 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.257 -7.686 -14.043 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 24.018 -7.140 -12.627 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.380 -8.712 -12.696 1.00 6.36 H new ATOM 1464 N ILE A 95 18.720 -4.054 -9.510 1.00 0.00 N ATOM 1465 CA ILE A 95 18.608 -2.570 -9.738 1.00 0.01 C ATOM 1466 C ILE A 95 19.995 -1.916 -9.670 1.00 0.01 C ATOM 1467 O ILE A 95 20.833 -2.284 -8.869 1.00 0.01 O ATOM 1468 CB ILE A 95 17.701 -1.979 -8.649 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.848 -0.450 -8.604 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.088 -2.566 -7.291 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.667 0.161 -7.847 1.00 1.09 C ATOM 0 H ILE A 95 19.236 -4.322 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 95 18.186 -2.380 -10.725 1.00 0.01 H new ATOM 0 HB ILE A 95 16.665 -2.228 -8.879 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.784 -0.180 -8.116 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.889 -0.049 -9.617 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.445 -2.147 -6.517 1.00 0.36 H new ATOM 0 HG22 ILE A 95 17.968 -3.649 -7.315 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.127 -2.321 -7.071 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.775 1.245 -7.818 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.737 -0.097 -8.354 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.646 -0.229 -6.829 1.00 1.09 H new ATOM 1483 N GLN A 96 20.211 -0.902 -10.482 1.00 0.01 N ATOM 1484 CA GLN A 96 21.504 -0.145 -10.459 1.00 0.01 C ATOM 1485 C GLN A 96 21.179 1.333 -10.203 1.00 0.01 C ATOM 1486 O GLN A 96 20.284 1.880 -10.817 1.00 0.00 O ATOM 1487 CB GLN A 96 22.244 -0.304 -11.791 1.00 0.53 C ATOM 1488 CG GLN A 96 21.282 -0.083 -12.955 1.00 0.82 C ATOM 1489 CD GLN A 96 22.058 -0.149 -14.272 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.402 0.868 -14.843 1.00 1.75 O ATOM 1491 NE2 GLN A 96 22.350 -1.314 -14.783 1.00 2.05 N ATOM 0 H GLN A 96 19.535 -0.565 -11.168 1.00 0.01 H new ATOM 0 HA GLN A 96 22.152 -0.533 -9.673 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.065 0.410 -11.847 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.683 -1.300 -11.856 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.498 -0.841 -12.943 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.791 0.885 -12.857 1.00 0.82 H new ATOM 0 HE21 GLN A 96 22.062 -2.167 -14.305 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.866 -1.371 -15.661 1.00 2.05 H new ATOM 1500 N VAL A 97 21.879 1.994 -9.311 1.00 0.01 N ATOM 1501 CA VAL A 97 21.586 3.444 -9.030 1.00 0.01 C ATOM 1502 C VAL A 97 22.855 4.280 -9.228 1.00 0.01 C ATOM 1503 O VAL A 97 23.958 3.826 -8.989 1.00 0.01 O ATOM 1504 CB VAL A 97 21.104 3.592 -7.584 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.780 2.847 -7.402 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.157 3.009 -6.636 1.00 1.03 C ATOM 0 H VAL A 97 22.642 1.595 -8.763 1.00 0.01 H new ATOM 0 HA VAL A 97 20.814 3.794 -9.715 1.00 0.01 H new ATOM 0 HB VAL A 97 20.954 4.648 -7.358 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.441 2.955 -6.372 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.032 3.264 -8.076 1.00 1.10 H new ATOM 0 HG13 VAL A 97 19.923 1.790 -7.628 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.817 3.113 -5.606 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.307 1.954 -6.864 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.098 3.545 -6.763 1.00 1.03 H new ATOM 1516 N PHE A 98 22.693 5.500 -9.692 1.00 0.01 N ATOM 1517 CA PHE A 98 23.874 6.388 -9.948 1.00 0.01 C ATOM 1518 C PHE A 98 23.800 7.654 -9.090 1.00 0.01 C ATOM 1519 O PHE A 98 22.746 8.209 -8.857 1.00 0.01 O ATOM 1520 CB PHE A 98 23.893 6.779 -11.424 1.00 0.25 C ATOM 1521 CG PHE A 98 24.127 5.546 -12.264 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.060 4.690 -12.560 1.00 0.58 C ATOM 1523 CD2 PHE A 98 25.409 5.262 -12.750 1.00 0.42 C ATOM 1524 CE1 PHE A 98 23.274 3.549 -13.344 1.00 0.73 C ATOM 1525 CE2 PHE A 98 25.623 4.122 -13.533 1.00 0.56 C ATOM 1526 CZ PHE A 98 24.556 3.266 -13.830 1.00 0.69 C ATOM 0 H PHE A 98 21.788 5.920 -9.905 1.00 0.01 H new ATOM 0 HA PHE A 98 24.783 5.846 -9.688 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.948 7.247 -11.700 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.678 7.513 -11.608 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.072 4.909 -12.184 1.00 0.58 H new ATOM 0 HD2 PHE A 98 26.232 5.922 -12.521 1.00 0.42 H new ATOM 0 HE1 PHE A 98 22.451 2.888 -13.573 1.00 0.73 H new ATOM 0 HE2 PHE A 98 26.612 3.903 -13.908 1.00 0.56 H new ATOM 0 HZ PHE A 98 24.722 2.387 -14.435 1.00 0.69 H new ATOM 1536 N GLU A 99 24.932 8.082 -8.597 1.00 0.01 N ATOM 1537 CA GLU A 99 24.972 9.286 -7.715 1.00 0.01 C ATOM 1538 C GLU A 99 24.603 10.563 -8.485 1.00 0.01 C ATOM 1539 O GLU A 99 24.067 11.489 -7.911 1.00 0.01 O ATOM 1540 CB GLU A 99 26.380 9.438 -7.130 1.00 0.01 C ATOM 1541 CG GLU A 99 26.463 10.730 -6.311 1.00 0.01 C ATOM 1542 CD GLU A 99 27.719 10.703 -5.436 1.00 0.01 C ATOM 1543 OE1 GLU A 99 27.725 9.966 -4.463 1.00 0.02 O ATOM 1544 OE2 GLU A 99 28.654 11.419 -5.754 1.00 0.01 O ATOM 0 H GLU A 99 25.838 7.646 -8.769 1.00 0.01 H new ATOM 0 HA GLU A 99 24.241 9.147 -6.919 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.617 8.581 -6.500 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.117 9.457 -7.932 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.489 11.593 -6.976 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.575 10.835 -5.687 1.00 0.01 H new ATOM 1551 N LYS A 100 24.888 10.631 -9.767 1.00 0.01 N ATOM 1552 CA LYS A 100 24.556 11.869 -10.555 1.00 0.01 C ATOM 1553 C LYS A 100 23.525 11.551 -11.641 1.00 0.01 C ATOM 1554 O LYS A 100 23.208 10.407 -11.900 1.00 0.01 O ATOM 1555 CB LYS A 100 25.829 12.413 -11.210 1.00 0.94 C ATOM 1556 CG LYS A 100 26.841 12.782 -10.124 1.00 1.63 C ATOM 1557 CD LYS A 100 28.127 13.289 -10.777 1.00 2.19 C ATOM 1558 CE LYS A 100 29.069 13.835 -9.701 1.00 2.84 C ATOM 1559 NZ LYS A 100 29.623 12.704 -8.903 1.00 3.18 N ATOM 0 H LYS A 100 25.335 9.886 -10.302 1.00 0.01 H new ATOM 0 HA LYS A 100 24.138 12.614 -9.878 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.254 11.666 -11.880 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.594 13.288 -11.816 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.426 13.549 -9.470 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.055 11.914 -9.501 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.613 12.480 -11.323 1.00 2.19 H new ATOM 0 HD3 LYS A 100 27.895 14.069 -11.502 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.879 14.398 -10.164 1.00 2.84 H new ATOM 0 HE3 LYS A 100 28.533 14.525 -9.050 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 29.413 12.854 -7.896 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 29.190 11.812 -9.218 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 30.653 12.655 -9.039 1.00 3.18 H new ATOM 1573 N GLY A 101 22.992 12.568 -12.263 1.00 0.01 N ATOM 1574 CA GLY A 101 21.964 12.358 -13.325 1.00 0.01 C ATOM 1575 C GLY A 101 22.595 11.747 -14.581 1.00 0.00 C ATOM 1576 O GLY A 101 23.796 11.755 -14.764 1.00 0.01 O ATOM 0 H GLY A 101 23.226 13.544 -12.080 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.178 11.702 -12.952 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.493 13.309 -13.575 1.00 0.01 H new ATOM 1580 N ASP A 102 21.765 11.244 -15.458 1.00 0.01 N ATOM 1581 CA ASP A 102 22.251 10.646 -16.737 1.00 0.00 C ATOM 1582 C ASP A 102 23.245 9.510 -16.485 1.00 0.00 C ATOM 1583 O ASP A 102 24.197 9.324 -17.217 1.00 0.01 O ATOM 1584 CB ASP A 102 22.922 11.732 -17.580 1.00 0.01 C ATOM 1585 CG ASP A 102 22.035 12.977 -17.606 1.00 0.01 C ATOM 1586 OD1 ASP A 102 21.762 13.509 -16.542 1.00 0.01 O ATOM 1587 OD2 ASP A 102 21.641 13.379 -18.689 1.00 0.01 O ATOM 0 H ASP A 102 20.752 11.222 -15.339 1.00 0.01 H new ATOM 0 HA ASP A 102 21.393 10.232 -17.266 1.00 0.00 H new ATOM 0 HB2 ASP A 102 23.900 11.977 -17.165 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.088 11.369 -18.594 1.00 0.01 H new ATOM 1592 N PHE A 103 23.001 8.725 -15.473 1.00 0.01 N ATOM 1593 CA PHE A 103 23.888 7.564 -15.180 1.00 0.01 C ATOM 1594 C PHE A 103 25.355 7.993 -15.103 1.00 0.00 C ATOM 1595 O PHE A 103 26.206 7.438 -15.770 1.00 0.01 O ATOM 1596 CB PHE A 103 23.722 6.516 -16.283 1.00 0.01 C ATOM 1597 CG PHE A 103 22.256 6.369 -16.623 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.445 5.519 -15.864 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.711 7.084 -17.697 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.087 5.382 -16.177 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.352 6.948 -18.010 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.540 6.098 -17.251 1.00 0.01 C ATOM 0 H PHE A 103 22.217 8.839 -14.830 1.00 0.01 H new ATOM 0 HA PHE A 103 23.604 7.147 -14.214 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.284 6.813 -17.169 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.128 5.559 -15.954 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.866 4.968 -15.036 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.338 7.740 -18.283 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.461 4.725 -15.591 1.00 0.01 H new ATOM 0 HE2 PHE A 103 19.931 7.500 -18.838 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.493 5.994 -17.492 1.00 0.01 H new ATOM 1612 N ASN A 104 25.659 8.957 -14.273 1.00 0.00 N ATOM 1613 CA ASN A 104 27.073 9.417 -14.107 1.00 0.01 C ATOM 1614 C ASN A 104 27.388 9.439 -12.611 1.00 0.01 C ATOM 1615 O ASN A 104 26.501 9.344 -11.785 1.00 0.01 O ATOM 1616 CB ASN A 104 27.235 10.828 -14.685 1.00 1.68 C ATOM 1617 CG ASN A 104 28.686 11.287 -14.520 1.00 2.31 C ATOM 1618 OD1 ASN A 104 29.113 11.605 -13.427 1.00 3.15 O ATOM 1619 ND2 ASN A 104 29.467 11.333 -15.565 1.00 2.38 N ATOM 0 H ASN A 104 24.980 9.452 -13.695 1.00 0.00 H new ATOM 0 HA ASN A 104 27.752 8.745 -14.633 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.959 10.834 -15.739 1.00 1.68 H new ATOM 0 HB3 ASN A 104 26.564 11.520 -14.176 1.00 1.68 H new ATOM 0 HD21 ASN A 104 30.436 11.636 -15.465 1.00 2.38 H new ATOM 0 HD22 ASN A 104 29.108 11.066 -16.482 1.00 2.38 H new ATOM 1626 N GLY A 105 28.639 9.540 -12.244 1.00 0.01 N ATOM 1627 CA GLY A 105 28.992 9.551 -10.792 1.00 0.01 C ATOM 1628 C GLY A 105 29.259 8.119 -10.329 1.00 0.01 C ATOM 1629 O GLY A 105 29.454 7.229 -11.133 1.00 0.01 O ATOM 0 H GLY A 105 29.430 9.615 -12.884 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.873 10.170 -10.624 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.180 9.988 -10.211 1.00 0.01 H new ATOM 1633 N GLN A 106 29.257 7.877 -9.047 1.00 0.01 N ATOM 1634 CA GLN A 106 29.496 6.491 -8.556 1.00 0.01 C ATOM 1635 C GLN A 106 28.224 5.666 -8.757 1.00 0.01 C ATOM 1636 O GLN A 106 27.120 6.157 -8.623 1.00 0.01 O ATOM 1637 CB GLN A 106 29.852 6.532 -7.069 1.00 0.01 C ATOM 1638 CG GLN A 106 30.350 5.156 -6.624 1.00 0.01 C ATOM 1639 CD GLN A 106 31.736 4.899 -7.218 1.00 0.01 C ATOM 1640 OE1 GLN A 106 32.712 5.487 -6.794 1.00 0.01 O ATOM 1641 NE2 GLN A 106 31.866 4.038 -8.190 1.00 0.01 N ATOM 0 H GLN A 106 29.101 8.576 -8.321 1.00 0.01 H new ATOM 0 HA GLN A 106 30.319 6.038 -9.110 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.620 7.284 -6.889 1.00 0.01 H new ATOM 0 HB3 GLN A 106 28.979 6.821 -6.483 1.00 0.01 H new ATOM 0 HG2 GLN A 106 30.394 5.108 -5.536 1.00 0.01 H new ATOM 0 HG3 GLN A 106 29.654 4.383 -6.949 1.00 0.01 H new ATOM 0 HE21 GLN A 106 31.048 3.544 -8.547 1.00 0.01 H new ATOM 0 HE22 GLN A 106 32.786 3.859 -8.593 1.00 0.01 H new ATOM 1650 N MET A 107 28.385 4.412 -9.094 1.00 0.01 N ATOM 1651 CA MET A 107 27.208 3.516 -9.329 1.00 0.01 C ATOM 1652 C MET A 107 27.199 2.385 -8.301 1.00 0.01 C ATOM 1653 O MET A 107 28.227 1.843 -7.942 1.00 0.01 O ATOM 1654 CB MET A 107 27.308 2.913 -10.736 1.00 0.00 C ATOM 1655 CG MET A 107 26.094 2.018 -11.013 1.00 0.01 C ATOM 1656 SD MET A 107 26.372 0.380 -10.297 1.00 0.01 S ATOM 1657 CE MET A 107 27.193 -0.360 -11.729 1.00 0.01 C ATOM 0 H MET A 107 29.293 3.964 -9.218 1.00 0.01 H new ATOM 0 HA MET A 107 26.290 4.097 -9.234 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.360 3.709 -11.479 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.226 2.332 -10.827 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.196 2.465 -10.587 1.00 0.01 H new ATOM 0 HG3 MET A 107 25.929 1.933 -12.087 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.458 -1.393 -11.503 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.520 -0.337 -12.586 1.00 0.01 H new ATOM 0 HE3 MET A 107 28.097 0.203 -11.962 1.00 0.01 H new ATOM 1667 N TYR A 108 26.030 2.012 -7.844 1.00 0.01 N ATOM 1668 CA TYR A 108 25.897 0.899 -6.853 1.00 0.00 C ATOM 1669 C TYR A 108 24.806 -0.060 -7.348 1.00 0.01 C ATOM 1670 O TYR A 108 23.774 0.356 -7.839 1.00 0.01 O ATOM 1671 CB TYR A 108 25.498 1.464 -5.489 1.00 0.54 C ATOM 1672 CG TYR A 108 26.648 2.261 -4.919 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.699 1.604 -4.269 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.662 3.656 -5.039 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.765 2.342 -3.738 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.729 4.393 -4.509 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.779 3.736 -3.858 1.00 1.82 C ATOM 1678 OH TYR A 108 29.829 4.462 -3.335 1.00 2.48 O ATOM 0 H TYR A 108 25.146 2.439 -8.121 1.00 0.01 H new ATOM 0 HA TYR A 108 26.847 0.374 -6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.617 2.098 -5.589 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.232 0.653 -4.811 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.688 0.528 -4.177 1.00 1.24 H new ATOM 0 HD2 TYR A 108 25.851 4.163 -5.540 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.576 1.835 -3.236 1.00 1.76 H new ATOM 0 HE2 TYR A 108 27.741 5.469 -4.603 1.00 1.51 H new ATOM 0 HH TYR A 108 29.708 5.411 -3.547 1.00 2.48 H new ATOM 1688 N GLU A 109 25.051 -1.344 -7.255 1.00 0.01 N ATOM 1689 CA GLU A 109 24.064 -2.363 -7.749 1.00 0.01 C ATOM 1690 C GLU A 109 23.603 -3.248 -6.592 1.00 0.01 C ATOM 1691 O GLU A 109 24.398 -3.709 -5.797 1.00 0.01 O ATOM 1692 CB GLU A 109 24.756 -3.214 -8.815 1.00 0.01 C ATOM 1693 CG GLU A 109 23.719 -4.080 -9.533 1.00 0.01 C ATOM 1694 CD GLU A 109 24.376 -4.784 -10.722 1.00 0.00 C ATOM 1695 OE1 GLU A 109 25.122 -5.721 -10.493 1.00 0.00 O ATOM 1696 OE2 GLU A 109 24.119 -4.374 -11.843 1.00 0.00 O ATOM 0 H GLU A 109 25.902 -1.737 -6.853 1.00 0.01 H new ATOM 0 HA GLU A 109 23.189 -1.868 -8.170 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.267 -2.572 -9.532 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.516 -3.845 -8.354 1.00 0.01 H new ATOM 0 HG2 GLU A 109 23.305 -4.816 -8.844 1.00 0.01 H new ATOM 0 HG3 GLU A 109 22.889 -3.463 -9.876 1.00 0.01 H new ATOM 1703 N THR A 110 22.316 -3.491 -6.484 1.00 0.01 N ATOM 1704 CA THR A 110 21.816 -4.347 -5.366 1.00 0.00 C ATOM 1705 C THR A 110 20.561 -5.123 -5.788 1.00 0.01 C ATOM 1706 O THR A 110 19.773 -4.688 -6.609 1.00 0.01 O ATOM 1707 CB THR A 110 21.478 -3.473 -4.156 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.996 -4.293 -3.099 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.406 -2.455 -4.544 1.00 1.69 C ATOM 0 H THR A 110 21.599 -3.136 -7.117 1.00 0.01 H new ATOM 0 HA THR A 110 22.600 -5.058 -5.107 1.00 0.00 H new ATOM 0 HB THR A 110 22.374 -2.946 -3.827 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.781 -3.734 -2.323 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.166 -1.833 -3.682 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.777 -1.826 -5.353 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.509 -2.979 -4.874 1.00 1.69 H new ATOM 1717 N THR A 111 20.397 -6.286 -5.212 1.00 0.00 N ATOM 1718 CA THR A 111 19.223 -7.161 -5.527 1.00 0.01 C ATOM 1719 C THR A 111 18.278 -7.238 -4.322 1.00 0.01 C ATOM 1720 O THR A 111 17.379 -8.054 -4.294 1.00 0.01 O ATOM 1721 CB THR A 111 19.726 -8.567 -5.863 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.650 -8.984 -4.870 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.412 -8.554 -7.230 1.00 0.01 C ATOM 0 H THR A 111 21.040 -6.675 -4.522 1.00 0.00 H new ATOM 0 HA THR A 111 18.681 -6.741 -6.375 1.00 0.01 H new ATOM 0 HB THR A 111 18.884 -9.259 -5.891 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.973 -9.885 -5.081 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.769 -9.556 -7.467 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.701 -8.233 -7.991 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.255 -7.864 -7.207 1.00 0.01 H new ATOM 1731 N GLU A 112 18.490 -6.423 -3.312 1.00 0.01 N ATOM 1732 CA GLU A 112 17.618 -6.479 -2.085 1.00 0.01 C ATOM 1733 C GLU A 112 16.922 -5.137 -1.828 1.00 0.01 C ATOM 1734 O GLU A 112 17.317 -4.107 -2.335 1.00 0.01 O ATOM 1735 CB GLU A 112 18.494 -6.821 -0.877 1.00 0.85 C ATOM 1736 CG GLU A 112 19.008 -8.255 -1.010 1.00 1.61 C ATOM 1737 CD GLU A 112 19.809 -8.628 0.238 1.00 2.51 C ATOM 1738 OE1 GLU A 112 19.764 -7.871 1.195 1.00 3.07 O ATOM 1739 OE2 GLU A 112 20.454 -9.663 0.217 1.00 3.21 O ATOM 0 H GLU A 112 19.229 -5.720 -3.282 1.00 0.01 H new ATOM 0 HA GLU A 112 16.851 -7.237 -2.241 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.332 -6.127 -0.814 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.921 -6.713 0.044 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.171 -8.942 -1.137 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.634 -8.347 -1.898 1.00 1.61 H new ATOM 1746 N ASP A 113 15.897 -5.152 -1.012 1.00 0.01 N ATOM 1747 CA ASP A 113 15.166 -3.893 -0.669 1.00 0.01 C ATOM 1748 C ASP A 113 16.098 -3.011 0.167 1.00 0.00 C ATOM 1749 O ASP A 113 17.001 -3.497 0.820 1.00 0.01 O ATOM 1750 CB ASP A 113 13.926 -4.241 0.162 1.00 0.01 C ATOM 1751 CG ASP A 113 12.822 -4.769 -0.758 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.128 -5.091 -1.893 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.690 -4.845 -0.309 1.00 0.00 O ATOM 0 H ASP A 113 15.532 -5.992 -0.564 1.00 0.01 H new ATOM 0 HA ASP A 113 14.861 -3.372 -1.577 1.00 0.01 H new ATOM 0 HB2 ASP A 113 14.177 -4.991 0.912 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.576 -3.359 0.698 1.00 0.01 H new ATOM 1758 N CYS A 114 15.862 -1.715 0.177 1.00 0.01 N ATOM 1759 CA CYS A 114 16.705 -0.790 1.004 1.00 0.01 C ATOM 1760 C CYS A 114 15.783 0.060 1.907 1.00 0.01 C ATOM 1761 O CYS A 114 15.039 0.878 1.400 1.00 0.01 O ATOM 1762 CB CYS A 114 17.476 0.148 0.075 1.00 0.01 C ATOM 1763 SG CYS A 114 18.742 1.028 1.023 1.00 0.01 S ATOM 0 H CYS A 114 15.120 -1.260 -0.354 1.00 0.01 H new ATOM 0 HA CYS A 114 17.399 -1.370 1.613 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.940 -0.421 -0.731 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.793 0.860 -0.389 1.00 0.01 H new ATOM 0 HG CYS A 114 19.919 0.597 0.680 1.00 0.01 H new ATOM 1769 N PRO A 115 15.819 -0.082 3.225 1.00 0.01 N ATOM 1770 CA PRO A 115 14.946 0.758 4.095 1.00 0.01 C ATOM 1771 C PRO A 115 15.481 2.191 4.195 1.00 0.01 C ATOM 1772 O PRO A 115 14.727 3.129 4.385 1.00 0.01 O ATOM 1773 CB PRO A 115 15.025 0.026 5.445 1.00 0.01 C ATOM 1774 CG PRO A 115 16.256 -0.898 5.409 1.00 0.01 C ATOM 1775 CD PRO A 115 16.692 -1.062 3.939 1.00 0.01 C ATOM 0 HA PRO A 115 13.927 0.866 3.723 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.108 0.742 6.263 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.118 -0.553 5.619 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.067 -0.474 6.001 1.00 0.01 H new ATOM 0 HG3 PRO A 115 16.016 -1.868 5.845 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.750 -0.836 3.803 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.535 -2.080 3.581 1.00 0.01 H new ATOM 1783 N SER A 116 16.773 2.367 4.083 1.00 0.01 N ATOM 1784 CA SER A 116 17.362 3.739 4.179 1.00 0.02 C ATOM 1785 C SER A 116 18.513 3.867 3.179 1.00 0.01 C ATOM 1786 O SER A 116 19.557 3.255 3.320 1.00 0.00 O ATOM 1787 CB SER A 116 17.878 3.965 5.600 1.00 0.01 C ATOM 1788 OG SER A 116 16.786 3.905 6.507 1.00 0.01 O ATOM 0 H SER A 116 17.448 1.618 3.929 1.00 0.01 H new ATOM 0 HA SER A 116 16.603 4.486 3.948 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.620 3.209 5.855 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.373 4.934 5.671 1.00 0.01 H new ATOM 0 HG SER A 116 17.111 4.048 7.420 1.00 0.01 H new ATOM 1794 N ILE A 117 18.302 4.639 2.146 1.00 0.01 N ATOM 1795 CA ILE A 117 19.338 4.811 1.089 1.00 0.01 C ATOM 1796 C ILE A 117 20.589 5.472 1.666 1.00 0.01 C ATOM 1797 O ILE A 117 21.694 5.131 1.293 1.00 0.00 O ATOM 1798 CB ILE A 117 18.760 5.687 -0.026 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.644 4.922 -0.742 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.854 6.050 -1.038 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.861 5.878 -1.646 1.00 1.83 C ATOM 0 H ILE A 117 17.442 5.165 1.989 1.00 0.01 H new ATOM 0 HA ILE A 117 19.617 3.834 0.695 1.00 0.01 H new ATOM 0 HB ILE A 117 18.363 6.603 0.412 1.00 0.57 H new ATOM 0 HG12 ILE A 117 18.068 4.111 -1.334 1.00 1.44 H new ATOM 0 HG13 ILE A 117 16.975 4.467 -0.011 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.429 6.673 -1.825 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.650 6.597 -0.533 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.261 5.139 -1.476 1.00 0.93 H new ATOM 0 HD11 ILE A 117 16.067 5.330 -2.154 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.424 6.673 -1.042 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.534 6.312 -2.386 1.00 1.83 H new ATOM 1813 N MET A 118 20.433 6.430 2.537 1.00 0.02 N ATOM 1814 CA MET A 118 21.633 7.120 3.088 1.00 0.01 C ATOM 1815 C MET A 118 22.425 6.172 3.988 1.00 0.01 C ATOM 1816 O MET A 118 23.637 6.194 4.000 1.00 0.02 O ATOM 1817 CB MET A 118 21.214 8.358 3.883 1.00 0.24 C ATOM 1818 CG MET A 118 22.456 9.159 4.276 1.00 0.63 C ATOM 1819 SD MET A 118 21.955 10.657 5.157 1.00 1.20 S ATOM 1820 CE MET A 118 23.519 10.942 6.021 1.00 1.34 C ATOM 0 H MET A 118 19.535 6.763 2.889 1.00 0.02 H new ATOM 0 HA MET A 118 22.265 7.429 2.256 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.544 8.976 3.286 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.663 8.061 4.775 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.107 8.554 4.907 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.029 9.422 3.387 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.436 11.837 6.638 1.00 1.34 H new ATOM 0 HE2 MET A 118 23.746 10.084 6.654 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.318 11.077 5.292 1.00 1.34 H new ATOM 1830 N GLU A 119 21.775 5.341 4.744 1.00 0.01 N ATOM 1831 CA GLU A 119 22.533 4.421 5.631 1.00 0.02 C ATOM 1832 C GLU A 119 23.265 3.370 4.792 1.00 0.02 C ATOM 1833 O GLU A 119 24.362 2.955 5.113 1.00 0.01 O ATOM 1834 CB GLU A 119 21.563 3.722 6.586 1.00 0.30 C ATOM 1835 CG GLU A 119 22.351 3.034 7.702 1.00 0.99 C ATOM 1836 CD GLU A 119 22.901 4.089 8.665 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.256 5.114 8.821 1.00 2.11 O ATOM 1838 OE2 GLU A 119 23.957 3.854 9.231 1.00 2.07 O ATOM 0 H GLU A 119 20.759 5.257 4.788 1.00 0.01 H new ATOM 0 HA GLU A 119 23.263 4.995 6.202 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.869 4.447 7.011 1.00 0.30 H new ATOM 0 HB3 GLU A 119 20.966 2.989 6.043 1.00 0.30 H new ATOM 0 HG2 GLU A 119 21.708 2.337 8.239 1.00 0.99 H new ATOM 0 HG3 GLU A 119 23.169 2.452 7.278 1.00 0.99 H new ATOM 1845 N GLN A 120 22.639 2.895 3.751 1.00 0.00 N ATOM 1846 CA GLN A 120 23.267 1.820 2.926 1.00 0.01 C ATOM 1847 C GLN A 120 24.312 2.372 1.949 1.00 0.01 C ATOM 1848 O GLN A 120 25.376 1.807 1.797 1.00 0.01 O ATOM 1849 CB GLN A 120 22.172 1.099 2.137 1.00 0.52 C ATOM 1850 CG GLN A 120 22.732 -0.195 1.545 1.00 1.07 C ATOM 1851 CD GLN A 120 22.973 -1.208 2.666 1.00 1.08 C ATOM 1852 OE1 GLN A 120 22.079 -1.510 3.431 1.00 0.98 O ATOM 1853 NE2 GLN A 120 24.152 -1.752 2.796 1.00 2.08 N ATOM 0 H GLN A 120 21.720 3.203 3.434 1.00 0.00 H new ATOM 0 HA GLN A 120 23.779 1.135 3.602 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.327 0.877 2.789 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.799 1.743 1.341 1.00 0.52 H new ATOM 0 HG2 GLN A 120 22.035 -0.605 0.814 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.664 0.008 1.017 1.00 1.07 H new ATOM 0 HE21 GLN A 120 24.904 -1.500 2.154 1.00 2.08 H new ATOM 0 HE22 GLN A 120 24.322 -2.430 3.539 1.00 2.08 H new ATOM 1862 N PHE A 121 23.989 3.427 1.235 1.00 0.02 N ATOM 1863 CA PHE A 121 24.939 3.962 0.198 1.00 0.01 C ATOM 1864 C PHE A 121 25.523 5.321 0.580 1.00 0.01 C ATOM 1865 O PHE A 121 26.302 5.888 -0.161 1.00 0.01 O ATOM 1866 CB PHE A 121 24.193 4.093 -1.127 1.00 0.01 C ATOM 1867 CG PHE A 121 23.527 2.779 -1.458 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.247 1.776 -2.118 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.190 2.564 -1.104 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.629 0.558 -2.423 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.572 1.346 -1.411 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.292 0.342 -2.070 1.00 0.01 C ATOM 0 H PHE A 121 23.112 3.941 1.323 1.00 0.02 H new ATOM 0 HA PHE A 121 25.771 3.263 0.118 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.447 4.885 -1.061 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.885 4.373 -1.921 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.279 1.942 -2.392 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.635 3.338 -0.594 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.184 -0.216 -2.931 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.540 1.181 -1.140 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.816 -0.598 -2.306 1.00 0.01 H new ATOM 1882 N HIS A 122 25.164 5.861 1.709 1.00 0.01 N ATOM 1883 CA HIS A 122 25.714 7.187 2.099 1.00 0.01 C ATOM 1884 C HIS A 122 25.324 8.234 1.051 1.00 0.01 C ATOM 1885 O HIS A 122 26.062 9.160 0.784 1.00 0.02 O ATOM 1886 CB HIS A 122 27.240 7.086 2.214 1.00 0.01 C ATOM 1887 CG HIS A 122 27.608 5.759 2.819 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.850 4.636 2.044 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.778 5.361 4.122 1.00 0.01 C ATOM 1890 CE1 HIS A 122 28.150 3.624 2.880 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.121 4.012 4.158 1.00 0.01 N ATOM 0 H HIS A 122 24.516 5.443 2.377 1.00 0.01 H new ATOM 0 HA HIS A 122 25.304 7.490 3.063 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.698 7.189 1.230 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.624 7.899 2.831 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.663 5.997 4.987 1.00 0.01 H new ATOM 0 HE1 HIS A 122 28.385 2.621 2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.310 3.442 4.983 1.00 0.01 H new ATOM 1899 N LEU A 123 24.159 8.088 0.458 1.00 0.01 N ATOM 1900 CA LEU A 123 23.695 9.071 -0.583 1.00 0.01 C ATOM 1901 C LEU A 123 22.494 9.843 -0.030 1.00 0.02 C ATOM 1902 O LEU A 123 21.594 9.274 0.553 1.00 0.01 O ATOM 1903 CB LEU A 123 23.267 8.307 -1.851 1.00 0.01 C ATOM 1904 CG LEU A 123 24.491 7.984 -2.732 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.169 6.806 -3.662 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.856 9.198 -3.600 1.00 0.01 C ATOM 0 H LEU A 123 23.506 7.328 0.650 1.00 0.01 H new ATOM 0 HA LEU A 123 24.502 9.761 -0.829 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.760 7.383 -1.571 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.552 8.904 -2.417 1.00 0.01 H new ATOM 0 HG LEU A 123 25.326 7.731 -2.078 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.038 6.583 -4.281 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.915 5.930 -3.065 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.325 7.067 -4.301 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.722 8.957 -4.217 1.00 0.01 H new ATOM 0 HD22 LEU A 123 24.013 9.453 -4.242 1.00 0.01 H new ATOM 0 HD23 LEU A 123 25.093 10.046 -2.958 1.00 0.01 H new ATOM 1918 N ARG A 124 22.478 11.141 -0.203 1.00 0.01 N ATOM 1919 CA ARG A 124 21.342 11.954 0.317 1.00 0.00 C ATOM 1920 C ARG A 124 20.260 12.102 -0.757 1.00 0.01 C ATOM 1921 O ARG A 124 19.113 12.367 -0.460 1.00 0.01 O ATOM 1922 CB ARG A 124 21.850 13.344 0.714 1.00 1.67 C ATOM 1923 CG ARG A 124 23.009 13.198 1.701 1.00 1.98 C ATOM 1924 CD ARG A 124 23.614 14.572 1.987 1.00 2.92 C ATOM 1925 NE ARG A 124 24.676 14.443 3.025 1.00 3.54 N ATOM 1926 CZ ARG A 124 25.524 15.417 3.213 1.00 4.57 C ATOM 1927 NH1 ARG A 124 25.439 16.502 2.498 1.00 5.25 N ATOM 1928 NH2 ARG A 124 26.458 15.305 4.118 1.00 5.32 N ATOM 0 H ARG A 124 23.205 11.671 -0.683 1.00 0.01 H new ATOM 0 HA ARG A 124 20.917 11.451 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.178 13.890 -0.171 1.00 1.67 H new ATOM 0 HB3 ARG A 124 21.044 13.923 1.165 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.656 12.745 2.627 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.769 12.533 1.290 1.00 1.98 H new ATOM 0 HD2 ARG A 124 24.033 14.994 1.073 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.839 15.258 2.328 1.00 2.92 H new ATOM 0 HE ARG A 124 24.740 13.595 3.588 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.709 16.591 1.791 1.00 5.25 H new ATOM 0 HH12 ARG A 124 26.102 17.263 2.645 1.00 5.25 H new ATOM 0 HH21 ARG A 124 26.525 14.456 4.679 1.00 5.32 H new ATOM 0 HH22 ARG A 124 27.120 16.067 4.264 1.00 5.32 H new ATOM 1942 N GLU A 125 20.620 11.951 -2.009 1.00 0.01 N ATOM 1943 CA GLU A 125 19.622 12.101 -3.110 1.00 0.01 C ATOM 1944 C GLU A 125 20.004 11.190 -4.281 1.00 0.01 C ATOM 1945 O GLU A 125 21.127 10.737 -4.384 1.00 0.01 O ATOM 1946 CB GLU A 125 19.622 13.551 -3.599 1.00 0.01 C ATOM 1947 CG GLU A 125 19.300 14.483 -2.428 1.00 0.01 C ATOM 1948 CD GLU A 125 19.016 15.889 -2.958 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.888 16.443 -3.609 1.00 0.01 O ATOM 1950 OE2 GLU A 125 17.931 16.389 -2.706 1.00 0.02 O ATOM 0 H GLU A 125 21.567 11.729 -2.315 1.00 0.01 H new ATOM 0 HA GLU A 125 18.635 11.829 -2.737 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.594 13.804 -4.022 1.00 0.01 H new ATOM 0 HB3 GLU A 125 18.886 13.679 -4.393 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.436 14.109 -1.878 1.00 0.01 H new ATOM 0 HG3 GLU A 125 20.136 14.508 -1.729 1.00 0.01 H new ATOM 1957 N ILE A 126 19.083 10.949 -5.183 1.00 0.01 N ATOM 1958 CA ILE A 126 19.387 10.098 -6.383 1.00 0.01 C ATOM 1959 C ILE A 126 18.882 10.839 -7.623 1.00 0.01 C ATOM 1960 O ILE A 126 17.760 11.302 -7.653 1.00 0.01 O ATOM 1961 CB ILE A 126 18.682 8.735 -6.253 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.472 7.875 -5.258 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.638 8.032 -7.622 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.754 6.547 -5.021 1.00 1.70 C ATOM 0 H ILE A 126 18.128 11.306 -5.142 1.00 0.01 H new ATOM 0 HA ILE A 126 20.459 9.919 -6.462 1.00 0.01 H new ATOM 0 HB ILE A 126 17.660 8.878 -5.901 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.475 7.691 -5.642 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.585 8.409 -4.314 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.138 7.069 -7.521 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.091 8.652 -8.332 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.654 7.877 -7.984 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.325 5.946 -4.313 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.760 6.738 -4.616 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.664 6.008 -5.964 1.00 1.70 H new ATOM 1976 N HIS A 127 19.713 10.993 -8.630 1.00 0.01 N ATOM 1977 CA HIS A 127 19.286 11.751 -9.854 1.00 0.01 C ATOM 1978 C HIS A 127 19.080 10.833 -11.061 1.00 0.01 C ATOM 1979 O HIS A 127 18.498 11.227 -12.054 1.00 0.01 O ATOM 1980 CB HIS A 127 20.338 12.810 -10.194 1.00 0.02 C ATOM 1981 CG HIS A 127 20.470 13.773 -9.046 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.822 14.998 -9.029 1.00 0.01 N ATOM 1983 CD2 HIS A 127 21.170 13.704 -7.867 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.142 15.611 -7.875 1.00 0.01 C ATOM 1985 NE2 HIS A 127 20.962 14.865 -7.130 1.00 0.02 N ATOM 0 H HIS A 127 20.665 10.628 -8.658 1.00 0.01 H new ATOM 0 HA HIS A 127 18.329 12.223 -9.630 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.297 12.333 -10.395 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.052 13.344 -11.100 1.00 0.02 H new ATOM 0 HD2 HIS A 127 21.788 12.874 -7.559 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.780 16.587 -7.586 1.00 0.01 H new ATOM 0 HE2 HIS A 127 21.352 15.097 -6.217 1.00 0.02 H new ATOM 1993 N SER A 128 19.521 9.602 -10.985 1.00 0.01 N ATOM 1994 CA SER A 128 19.313 8.662 -12.124 1.00 0.01 C ATOM 1995 C SER A 128 19.422 7.220 -11.614 1.00 0.01 C ATOM 1996 O SER A 128 20.125 6.942 -10.661 1.00 0.01 O ATOM 1997 CB SER A 128 20.378 8.907 -13.194 1.00 0.01 C ATOM 1998 OG SER A 128 20.489 7.753 -14.018 1.00 0.01 O ATOM 0 H SER A 128 20.015 9.210 -10.184 1.00 0.01 H new ATOM 0 HA SER A 128 18.326 8.825 -12.556 1.00 0.01 H new ATOM 0 HB2 SER A 128 20.111 9.775 -13.797 1.00 0.01 H new ATOM 0 HB3 SER A 128 21.337 9.127 -12.725 1.00 0.01 H new ATOM 0 HG SER A 128 20.282 7.992 -14.945 1.00 0.01 H new ATOM 2004 N CYS A 129 18.731 6.303 -12.240 1.00 0.01 N ATOM 2005 CA CYS A 129 18.782 4.880 -11.793 1.00 0.01 C ATOM 2006 C CYS A 129 18.139 4.003 -12.872 1.00 0.00 C ATOM 2007 O CYS A 129 17.221 4.429 -13.544 1.00 0.01 O ATOM 2008 CB CYS A 129 18.009 4.728 -10.477 1.00 0.69 C ATOM 2009 SG CYS A 129 17.697 2.973 -10.150 1.00 1.22 S ATOM 0 H CYS A 129 18.131 6.480 -13.045 1.00 0.01 H new ATOM 0 HA CYS A 129 19.817 4.576 -11.635 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.579 5.165 -9.657 1.00 0.69 H new ATOM 0 HB3 CYS A 129 17.065 5.271 -10.534 1.00 0.69 H new ATOM 0 HG CYS A 129 18.819 2.317 -10.193 1.00 1.22 H new ATOM 2015 N LYS A 130 18.613 2.786 -13.051 1.00 0.01 N ATOM 2016 CA LYS A 130 18.019 1.889 -14.099 1.00 0.01 C ATOM 2017 C LYS A 130 17.512 0.596 -13.449 1.00 0.01 C ATOM 2018 O LYS A 130 18.266 -0.232 -12.971 1.00 0.01 O ATOM 2019 CB LYS A 130 19.086 1.558 -15.160 1.00 0.55 C ATOM 2020 CG LYS A 130 18.412 1.246 -16.502 1.00 0.80 C ATOM 2021 CD LYS A 130 19.480 0.890 -17.537 1.00 0.29 C ATOM 2022 CE LYS A 130 18.808 0.555 -18.871 1.00 0.33 C ATOM 2023 NZ LYS A 130 17.903 -0.615 -18.691 1.00 1.41 N ATOM 0 H LYS A 130 19.382 2.379 -12.519 1.00 0.01 H new ATOM 0 HA LYS A 130 17.182 2.398 -14.577 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.770 2.399 -15.274 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.681 0.704 -14.835 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.712 0.418 -16.386 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.835 2.107 -16.840 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.170 1.724 -17.665 1.00 0.29 H new ATOM 0 HD3 LYS A 130 20.068 0.040 -17.191 1.00 0.29 H new ATOM 0 HE2 LYS A 130 18.242 1.414 -19.231 1.00 0.33 H new ATOM 0 HE3 LYS A 130 19.563 0.332 -19.625 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 17.727 -1.063 -19.613 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 18.348 -1.303 -18.051 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 17.001 -0.297 -18.283 1.00 1.41 H new ATOM 2037 N VAL A 131 16.219 0.444 -13.442 1.00 0.01 N ATOM 2038 CA VAL A 131 15.556 -0.762 -12.863 1.00 0.01 C ATOM 2039 C VAL A 131 14.917 -1.534 -14.016 1.00 0.01 C ATOM 2040 O VAL A 131 14.177 -0.963 -14.791 1.00 0.01 O ATOM 2041 CB VAL A 131 14.468 -0.318 -11.876 1.00 0.01 C ATOM 2042 CG1 VAL A 131 14.116 -1.475 -10.937 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.979 0.869 -11.056 1.00 0.01 C ATOM 0 H VAL A 131 15.569 1.130 -13.827 1.00 0.01 H new ATOM 0 HA VAL A 131 16.277 -1.387 -12.336 1.00 0.01 H new ATOM 0 HB VAL A 131 13.577 -0.023 -12.430 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.343 -1.154 -10.238 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.750 -2.319 -11.521 1.00 0.01 H new ATOM 0 HG13 VAL A 131 15.004 -1.776 -10.382 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.207 1.186 -10.354 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.871 0.573 -10.505 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.223 1.695 -11.724 1.00 0.01 H new ATOM 2053 N VAL A 132 15.139 -2.828 -14.128 1.00 0.01 N ATOM 2054 CA VAL A 132 14.483 -3.610 -15.205 1.00 0.01 C ATOM 2055 C VAL A 132 13.837 -4.823 -14.551 1.00 0.00 C ATOM 2056 O VAL A 132 14.427 -5.872 -14.388 1.00 0.01 O ATOM 2057 CB VAL A 132 15.533 -4.071 -16.218 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.845 -4.819 -17.361 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.272 -2.854 -16.778 1.00 1.98 C ATOM 0 H VAL A 132 15.749 -3.367 -13.513 1.00 0.01 H new ATOM 0 HA VAL A 132 13.740 -3.007 -15.726 1.00 0.01 H new ATOM 0 HB VAL A 132 16.245 -4.734 -15.726 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.593 -5.148 -18.083 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.319 -5.687 -16.963 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.133 -4.157 -17.853 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.020 -3.183 -17.500 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.560 -2.191 -17.270 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.763 -2.320 -15.964 1.00 1.98 H new ATOM 2069 N GLU A 133 12.605 -4.664 -14.230 1.00 0.01 N ATOM 2070 CA GLU A 133 11.790 -5.753 -13.625 1.00 0.01 C ATOM 2071 C GLU A 133 10.369 -5.542 -14.134 1.00 0.01 C ATOM 2072 O GLU A 133 9.895 -6.236 -15.011 1.00 0.01 O ATOM 2073 CB GLU A 133 11.827 -5.653 -12.096 1.00 0.00 C ATOM 2074 CG GLU A 133 11.078 -6.841 -11.481 1.00 0.00 C ATOM 2075 CD GLU A 133 9.570 -6.612 -11.587 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.142 -5.493 -11.355 1.00 0.00 O ATOM 2077 OE2 GLU A 133 8.867 -7.559 -11.898 1.00 0.00 O ATOM 0 H GLU A 133 12.096 -3.790 -14.363 1.00 0.01 H new ATOM 0 HA GLU A 133 12.170 -6.738 -13.896 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.860 -5.642 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.372 -4.717 -11.772 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.353 -7.762 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.364 -6.962 -10.436 1.00 0.00 H new ATOM 2084 N GLY A 134 9.688 -4.582 -13.575 1.00 0.01 N ATOM 2085 CA GLY A 134 8.293 -4.295 -13.994 1.00 0.01 C ATOM 2086 C GLY A 134 7.741 -3.187 -13.098 1.00 0.01 C ATOM 2087 O GLY A 134 7.637 -2.046 -13.503 1.00 0.01 O ATOM 0 H GLY A 134 10.046 -3.977 -12.836 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.266 -3.987 -15.039 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.679 -5.192 -13.910 1.00 0.01 H new ATOM 2091 N THR A 135 7.397 -3.519 -11.874 1.00 0.01 N ATOM 2092 CA THR A 135 6.857 -2.493 -10.922 1.00 0.01 C ATOM 2093 C THR A 135 7.757 -2.395 -9.679 1.00 0.01 C ATOM 2094 O THR A 135 7.954 -3.352 -8.958 1.00 0.01 O ATOM 2095 CB THR A 135 5.437 -2.886 -10.505 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.080 -2.168 -9.335 1.00 1.92 O ATOM 2097 CG2 THR A 135 5.366 -4.391 -10.231 1.00 2.30 C ATOM 0 H THR A 135 7.468 -4.462 -11.492 1.00 0.01 H new ATOM 0 HA THR A 135 6.837 -1.522 -11.416 1.00 0.01 H new ATOM 0 HB THR A 135 4.744 -2.644 -11.311 1.00 1.43 H new ATOM 0 HG1 THR A 135 4.112 -2.019 -9.326 1.00 1.92 H new ATOM 0 HG21 THR A 135 4.352 -4.660 -9.935 1.00 2.30 H new ATOM 0 HG22 THR A 135 5.638 -4.938 -11.134 1.00 2.30 H new ATOM 0 HG23 THR A 135 6.058 -4.648 -9.429 1.00 2.30 H new ATOM 2105 N TRP A 136 8.289 -1.226 -9.424 1.00 0.01 N ATOM 2106 CA TRP A 136 9.168 -1.001 -8.226 1.00 0.01 C ATOM 2107 C TRP A 136 8.591 0.197 -7.471 1.00 0.01 C ATOM 2108 O TRP A 136 7.999 1.064 -8.081 1.00 0.00 O ATOM 2109 CB TRP A 136 10.607 -0.707 -8.683 1.00 0.01 C ATOM 2110 CG TRP A 136 11.367 -1.991 -8.818 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.054 -2.997 -9.665 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.552 -2.421 -8.092 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.973 -4.018 -9.505 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.918 -3.709 -8.546 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.337 -1.821 -7.094 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.024 -4.379 -8.026 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.451 -2.493 -6.568 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.794 -3.769 -7.033 1.00 0.01 C ATOM 0 H TRP A 136 8.151 -0.399 -10.005 1.00 0.01 H new ATOM 0 HA TRP A 136 9.197 -1.882 -7.585 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.595 -0.178 -9.636 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.101 -0.055 -7.963 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.222 -3.002 -10.354 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.955 -4.892 -10.031 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.082 -0.837 -6.729 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.284 -5.363 -8.388 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.048 -2.023 -5.800 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.653 -4.281 -6.624 1.00 0.01 H new ATOM 2129 N ILE A 137 8.752 0.293 -6.162 1.00 0.01 N ATOM 2130 CA ILE A 137 8.192 1.478 -5.428 1.00 0.00 C ATOM 2131 C ILE A 137 9.298 2.217 -4.672 1.00 0.01 C ATOM 2132 O ILE A 137 10.144 1.628 -4.028 1.00 0.01 O ATOM 2133 CB ILE A 137 7.147 1.012 -4.410 1.00 0.60 C ATOM 2134 CG1 ILE A 137 6.032 0.254 -5.135 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.555 2.236 -3.706 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.085 -0.393 -4.116 1.00 1.69 C ATOM 0 H ILE A 137 9.240 -0.389 -5.582 1.00 0.01 H new ATOM 0 HA ILE A 137 7.740 2.146 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 137 7.614 0.355 -3.677 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.476 0.937 -5.777 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.462 -0.512 -5.780 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.810 1.913 -2.979 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.349 2.781 -3.194 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.085 2.887 -4.443 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.296 -0.930 -4.642 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.644 -1.090 -3.492 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.642 0.381 -3.489 1.00 1.69 H new ATOM 2148 N PHE A 138 9.260 3.519 -4.737 1.00 0.01 N ATOM 2149 CA PHE A 138 10.256 4.372 -4.020 1.00 0.01 C ATOM 2150 C PHE A 138 9.495 5.162 -2.958 1.00 0.01 C ATOM 2151 O PHE A 138 8.375 5.561 -3.182 1.00 0.00 O ATOM 2152 CB PHE A 138 10.911 5.327 -5.017 1.00 1.11 C ATOM 2153 CG PHE A 138 11.913 4.563 -5.851 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.217 4.374 -5.381 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.533 4.036 -7.091 1.00 1.54 C ATOM 2156 CE1 PHE A 138 14.143 3.660 -6.151 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.460 3.322 -7.861 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.765 3.135 -7.391 1.00 2.49 C ATOM 0 H PHE A 138 8.564 4.042 -5.269 1.00 0.01 H new ATOM 0 HA PHE A 138 11.036 3.767 -3.558 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.154 5.778 -5.659 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.406 6.141 -4.488 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.510 4.779 -4.424 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.526 4.180 -7.454 1.00 1.54 H new ATOM 0 HE1 PHE A 138 15.149 3.515 -5.787 1.00 2.01 H new ATOM 0 HE2 PHE A 138 12.168 2.916 -8.818 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.480 2.586 -7.986 1.00 2.49 H new ATOM 2168 N TYR A 139 10.088 5.403 -1.807 1.00 0.01 N ATOM 2169 CA TYR A 139 9.386 6.181 -0.732 1.00 0.01 C ATOM 2170 C TYR A 139 10.226 7.405 -0.353 1.00 0.01 C ATOM 2171 O TYR A 139 11.444 7.370 -0.383 1.00 0.01 O ATOM 2172 CB TYR A 139 9.189 5.296 0.498 1.00 0.01 C ATOM 2173 CG TYR A 139 8.510 4.006 0.093 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.227 3.030 -0.608 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.166 3.785 0.423 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.603 1.832 -0.975 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.543 2.588 0.054 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.260 1.612 -0.647 1.00 0.02 C ATOM 2179 OH TYR A 139 6.646 0.431 -1.009 1.00 0.00 O ATOM 0 H TYR A 139 11.030 5.093 -1.567 1.00 0.01 H new ATOM 0 HA TYR A 139 8.414 6.508 -1.101 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.152 5.082 0.962 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.586 5.818 1.241 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.262 3.201 -0.866 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.611 4.539 0.962 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.158 1.077 -1.512 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.508 2.417 0.310 1.00 0.02 H new ATOM 0 HH TYR A 139 5.715 0.440 -0.704 1.00 0.00 H new ATOM 2189 N GLU A 140 9.581 8.502 -0.055 1.00 0.01 N ATOM 2190 CA GLU A 140 10.322 9.760 0.255 1.00 0.02 C ATOM 2191 C GLU A 140 10.960 9.718 1.647 1.00 0.01 C ATOM 2192 O GLU A 140 11.971 10.356 1.867 1.00 0.01 O ATOM 2193 CB GLU A 140 9.318 10.912 0.203 1.00 0.01 C ATOM 2194 CG GLU A 140 10.046 12.233 0.454 1.00 0.02 C ATOM 2195 CD GLU A 140 9.093 13.400 0.184 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.394 13.349 -0.817 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.080 14.324 0.980 1.00 0.02 O ATOM 0 H GLU A 140 8.565 8.581 -0.013 1.00 0.01 H new ATOM 0 HA GLU A 140 11.124 9.887 -0.472 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.825 10.935 -0.769 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.540 10.765 0.952 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.405 12.273 1.482 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.921 12.307 -0.192 1.00 0.02 H new ATOM 2204 N LEU A 141 10.398 8.998 2.596 1.00 0.01 N ATOM 2205 CA LEU A 141 11.004 8.957 3.974 1.00 0.02 C ATOM 2206 C LEU A 141 11.465 7.516 4.275 1.00 0.01 C ATOM 2207 O LEU A 141 10.939 6.570 3.714 1.00 0.01 O ATOM 2208 CB LEU A 141 9.926 9.383 4.993 1.00 0.57 C ATOM 2209 CG LEU A 141 9.874 10.922 5.104 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.506 11.355 5.637 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.962 11.430 6.062 1.00 1.24 C ATOM 0 H LEU A 141 9.552 8.440 2.478 1.00 0.01 H new ATOM 0 HA LEU A 141 11.859 9.630 4.038 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.953 9.000 4.685 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.145 8.948 5.968 1.00 0.57 H new ATOM 0 HG LEU A 141 10.041 11.344 4.113 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.473 12.442 5.714 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.726 11.016 4.956 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.344 10.916 6.622 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.910 12.517 6.128 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.806 10.999 7.051 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.943 11.135 5.688 1.00 1.24 H new ATOM 2223 N PRO A 142 12.438 7.339 5.156 1.00 0.01 N ATOM 2224 CA PRO A 142 12.938 5.974 5.491 1.00 0.01 C ATOM 2225 C PRO A 142 11.824 5.033 5.970 1.00 0.01 C ATOM 2226 O PRO A 142 10.728 5.438 6.300 1.00 0.01 O ATOM 2227 CB PRO A 142 13.964 6.250 6.616 1.00 0.01 C ATOM 2228 CG PRO A 142 13.914 7.749 6.962 1.00 0.02 C ATOM 2229 CD PRO A 142 13.108 8.468 5.868 1.00 0.01 C ATOM 0 HA PRO A 142 13.361 5.464 4.626 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.733 5.650 7.496 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.966 5.969 6.293 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.450 7.899 7.937 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.922 8.159 7.023 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.385 9.166 6.291 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.752 9.041 5.201 1.00 0.01 H new ATOM 2237 N ASN A 143 12.151 3.770 6.026 1.00 0.01 N ATOM 2238 CA ASN A 143 11.188 2.738 6.502 1.00 0.01 C ATOM 2239 C ASN A 143 9.930 2.709 5.632 1.00 0.01 C ATOM 2240 O ASN A 143 8.855 2.363 6.082 1.00 0.01 O ATOM 2241 CB ASN A 143 10.793 3.049 7.945 1.00 0.23 C ATOM 2242 CG ASN A 143 12.043 3.413 8.750 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.103 2.859 8.534 1.00 0.75 O ATOM 2244 ND2 ASN A 143 11.964 4.329 9.676 1.00 0.56 N ATOM 0 H ASN A 143 13.064 3.404 5.756 1.00 0.01 H new ATOM 0 HA ASN A 143 11.671 1.763 6.440 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.080 3.873 7.968 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.298 2.187 8.392 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.791 4.579 10.218 1.00 0.56 H new ATOM 0 HD22 ASN A 143 11.075 4.795 9.858 1.00 0.56 H new ATOM 2251 N TYR A 144 10.073 3.033 4.376 1.00 0.01 N ATOM 2252 CA TYR A 144 8.914 2.993 3.438 1.00 0.02 C ATOM 2253 C TYR A 144 7.773 3.900 3.927 1.00 0.01 C ATOM 2254 O TYR A 144 6.637 3.480 4.021 1.00 0.01 O ATOM 2255 CB TYR A 144 8.417 1.540 3.316 1.00 0.01 C ATOM 2256 CG TYR A 144 9.591 0.599 3.497 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.642 0.608 2.571 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.639 -0.267 4.598 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.736 -0.249 2.743 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.734 -1.123 4.771 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.783 -1.114 3.844 1.00 0.01 C ATOM 2262 OH TYR A 144 12.863 -1.956 4.015 1.00 0.01 O ATOM 0 H TYR A 144 10.954 3.327 3.954 1.00 0.01 H new ATOM 0 HA TYR A 144 9.237 3.360 2.464 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.654 1.339 4.068 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.954 1.381 2.342 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.609 1.277 1.724 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.830 -0.274 5.314 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.544 -0.243 2.026 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.769 -1.790 5.620 1.00 0.01 H new ATOM 0 HH TYR A 144 12.738 -2.488 4.829 1.00 0.01 H new ATOM 2272 N ARG A 145 8.072 5.142 4.232 1.00 0.02 N ATOM 2273 CA ARG A 145 7.005 6.089 4.713 1.00 0.01 C ATOM 2274 C ARG A 145 7.001 7.357 3.855 1.00 0.01 C ATOM 2275 O ARG A 145 7.929 7.621 3.115 1.00 0.01 O ATOM 2276 CB ARG A 145 7.290 6.475 6.167 1.00 0.01 C ATOM 2277 CG ARG A 145 7.249 5.223 7.045 1.00 0.02 C ATOM 2278 CD ARG A 145 7.435 5.616 8.510 1.00 0.01 C ATOM 2279 NE ARG A 145 7.507 4.386 9.348 1.00 0.01 N ATOM 2280 CZ ARG A 145 7.953 4.456 10.571 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.334 5.603 11.060 1.00 0.02 N ATOM 2282 NH2 ARG A 145 8.015 3.380 11.307 1.00 0.01 N ATOM 0 H ARG A 145 9.008 5.544 4.170 1.00 0.02 H new ATOM 0 HA ARG A 145 6.035 5.598 4.637 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.267 6.953 6.243 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.553 7.199 6.513 1.00 0.01 H new ATOM 0 HG2 ARG A 145 6.298 4.707 6.915 1.00 0.02 H new ATOM 0 HG3 ARG A 145 8.033 4.529 6.742 1.00 0.02 H new ATOM 0 HD2 ARG A 145 8.346 6.203 8.627 1.00 0.01 H new ATOM 0 HD3 ARG A 145 6.607 6.244 8.837 1.00 0.01 H new ATOM 0 HE ARG A 145 7.207 3.489 8.965 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.283 6.444 10.486 1.00 0.02 H new ATOM 0 HH12 ARG A 145 8.683 5.659 12.017 1.00 0.02 H new ATOM 0 HH21 ARG A 145 7.714 2.483 10.925 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.364 3.436 12.264 1.00 0.01 H new ATOM 2296 N GLY A 146 5.953 8.144 3.938 1.00 0.01 N ATOM 2297 CA GLY A 146 5.878 9.398 3.127 1.00 0.02 C ATOM 2298 C GLY A 146 5.242 9.114 1.763 1.00 0.01 C ATOM 2299 O GLY A 146 4.645 8.080 1.544 1.00 0.02 O ATOM 0 H GLY A 146 5.145 7.969 4.535 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.293 10.148 3.659 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.878 9.811 2.991 1.00 0.02 H new ATOM 2303 N ARG A 147 5.368 10.037 0.848 1.00 0.01 N ATOM 2304 CA ARG A 147 4.775 9.846 -0.508 1.00 0.01 C ATOM 2305 C ARG A 147 5.545 8.746 -1.234 1.00 0.01 C ATOM 2306 O ARG A 147 6.744 8.604 -1.089 1.00 0.01 O ATOM 2307 CB ARG A 147 4.888 11.154 -1.294 1.00 0.01 C ATOM 2308 CG ARG A 147 4.375 10.936 -2.718 1.00 0.01 C ATOM 2309 CD ARG A 147 4.155 12.290 -3.394 1.00 0.01 C ATOM 2310 NE ARG A 147 3.885 12.082 -4.844 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.382 13.050 -5.560 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.121 14.203 -5.008 1.00 0.01 N ATOM 2313 NH2 ARG A 147 3.141 12.864 -6.829 1.00 0.02 N ATOM 0 H ARG A 147 5.859 10.921 0.982 1.00 0.01 H new ATOM 0 HA ARG A 147 3.726 9.564 -0.421 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.310 11.937 -0.803 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.925 11.489 -1.316 1.00 0.01 H new ATOM 0 HG2 ARG A 147 5.092 10.345 -3.288 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.442 10.372 -2.698 1.00 0.01 H new ATOM 0 HD2 ARG A 147 3.318 12.810 -2.928 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.034 12.921 -3.264 1.00 0.01 H new ATOM 0 HE ARG A 147 4.093 11.182 -5.277 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.310 14.348 -4.016 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.728 14.959 -5.568 1.00 0.01 H new ATOM 0 HH21 ARG A 147 3.346 11.963 -7.260 1.00 0.02 H new ATOM 0 HH22 ARG A 147 2.748 13.620 -7.390 1.00 0.02 H new ATOM 2327 N GLN A 148 4.838 7.938 -1.990 1.00 0.01 N ATOM 2328 CA GLN A 148 5.479 6.799 -2.713 1.00 0.01 C ATOM 2329 C GLN A 148 5.398 7.023 -4.228 1.00 0.01 C ATOM 2330 O GLN A 148 4.462 7.611 -4.732 1.00 0.01 O ATOM 2331 CB GLN A 148 4.699 5.526 -2.348 1.00 0.00 C ATOM 2332 CG GLN A 148 4.286 5.586 -0.875 1.00 0.02 C ATOM 2333 CD GLN A 148 3.775 4.214 -0.434 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.597 3.969 0.743 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.533 3.302 -1.333 1.00 0.01 N ATOM 0 H GLN A 148 3.832 8.023 -2.137 1.00 0.01 H new ATOM 0 HA GLN A 148 6.528 6.714 -2.431 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.816 5.433 -2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.315 4.645 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.135 5.885 -0.260 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.510 6.338 -0.734 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.682 3.507 -2.321 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.194 2.383 -1.049 1.00 0.01 H new ATOM 2344 N TYR A 149 6.377 6.540 -4.951 1.00 0.01 N ATOM 2345 CA TYR A 149 6.394 6.688 -6.442 1.00 0.01 C ATOM 2346 C TYR A 149 6.539 5.303 -7.081 1.00 0.01 C ATOM 2347 O TYR A 149 7.344 4.504 -6.647 1.00 0.01 O ATOM 2348 CB TYR A 149 7.575 7.571 -6.853 1.00 0.01 C ATOM 2349 CG TYR A 149 7.639 8.778 -5.947 1.00 0.01 C ATOM 2350 CD1 TYR A 149 8.365 8.717 -4.751 1.00 0.01 C ATOM 2351 CD2 TYR A 149 6.972 9.957 -6.300 1.00 0.01 C ATOM 2352 CE1 TYR A 149 8.423 9.834 -3.910 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.029 11.075 -5.459 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.755 11.014 -4.263 1.00 0.01 C ATOM 2355 OH TYR A 149 7.814 12.116 -3.436 1.00 0.01 O ATOM 0 H TYR A 149 7.179 6.041 -4.566 1.00 0.01 H new ATOM 0 HA TYR A 149 5.466 7.150 -6.778 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.505 7.006 -6.790 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.463 7.887 -7.890 1.00 0.01 H new ATOM 0 HD1 TYR A 149 8.880 7.808 -4.478 1.00 0.01 H new ATOM 0 HD2 TYR A 149 6.413 10.004 -7.223 1.00 0.01 H new ATOM 0 HE1 TYR A 149 8.983 9.786 -2.988 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.513 11.984 -5.732 1.00 0.01 H new ATOM 0 HH TYR A 149 7.911 11.822 -2.506 1.00 0.01 H new ATOM 2365 N LEU A 150 5.768 4.998 -8.095 1.00 0.01 N ATOM 2366 CA LEU A 150 5.868 3.648 -8.739 1.00 0.01 C ATOM 2367 C LEU A 150 6.722 3.762 -10.008 1.00 0.01 C ATOM 2368 O LEU A 150 6.408 4.512 -10.911 1.00 0.01 O ATOM 2369 CB LEU A 150 4.446 3.172 -9.085 1.00 0.01 C ATOM 2370 CG LEU A 150 4.396 1.638 -9.162 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.941 1.183 -9.314 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.214 1.150 -10.365 1.00 0.01 C ATOM 0 H LEU A 150 5.074 5.623 -8.505 1.00 0.01 H new ATOM 0 HA LEU A 150 6.337 2.929 -8.067 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.744 3.527 -8.331 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.134 3.600 -10.038 1.00 0.01 H new ATOM 0 HG LEU A 150 4.817 1.218 -8.249 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.904 0.095 -9.369 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.362 1.523 -8.456 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.521 1.607 -10.226 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.175 0.062 -10.414 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.799 1.570 -11.281 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.250 1.471 -10.255 1.00 0.01 H new ATOM 2384 N LEU A 151 7.798 3.019 -10.085 1.00 0.01 N ATOM 2385 CA LEU A 151 8.673 3.073 -11.297 1.00 0.01 C ATOM 2386 C LEU A 151 8.311 1.916 -12.233 1.00 0.01 C ATOM 2387 O LEU A 151 7.973 0.834 -11.791 1.00 0.01 O ATOM 2388 CB LEU A 151 10.139 2.948 -10.875 1.00 0.01 C ATOM 2389 CG LEU A 151 11.059 3.231 -12.075 1.00 0.01 C ATOM 2390 CD1 LEU A 151 11.055 4.732 -12.421 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.489 2.788 -11.732 1.00 0.01 C ATOM 0 H LEU A 151 8.109 2.375 -9.358 1.00 0.01 H new ATOM 0 HA LEU A 151 8.525 4.022 -11.813 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.355 3.648 -10.068 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.330 1.947 -10.488 1.00 0.01 H new ATOM 0 HG LEU A 151 10.693 2.675 -12.938 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.712 4.911 -13.272 1.00 0.01 H new ATOM 0 HD12 LEU A 151 10.042 5.045 -12.673 1.00 0.01 H new ATOM 0 HD13 LEU A 151 11.409 5.304 -11.563 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.145 2.987 -12.580 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.843 3.342 -10.862 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.496 1.721 -11.510 1.00 0.01 H new ATOM 2403 N ASP A 152 8.382 2.137 -13.524 1.00 0.01 N ATOM 2404 CA ASP A 152 8.041 1.058 -14.506 1.00 0.01 C ATOM 2405 C ASP A 152 9.322 0.520 -15.154 1.00 0.00 C ATOM 2406 O ASP A 152 10.410 0.701 -14.646 1.00 0.01 O ATOM 2407 CB ASP A 152 7.137 1.640 -15.594 1.00 1.04 C ATOM 2408 CG ASP A 152 5.819 2.107 -14.971 1.00 1.54 C ATOM 2409 OD1 ASP A 152 5.826 2.432 -13.796 1.00 2.27 O ATOM 2410 OD2 ASP A 152 4.827 2.134 -15.679 1.00 1.57 O ATOM 0 H ASP A 152 8.663 3.024 -13.942 1.00 0.01 H new ATOM 0 HA ASP A 152 7.530 0.246 -13.988 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.635 2.476 -16.086 1.00 1.04 H new ATOM 0 HB3 ASP A 152 6.943 0.889 -16.360 1.00 1.04 H new ATOM 2415 N LYS A 153 9.195 -0.153 -16.270 1.00 0.01 N ATOM 2416 CA LYS A 153 10.395 -0.723 -16.961 1.00 0.01 C ATOM 2417 C LYS A 153 10.812 0.190 -18.118 1.00 0.01 C ATOM 2418 O LYS A 153 10.990 -0.257 -19.234 1.00 0.01 O ATOM 2419 CB LYS A 153 10.038 -2.108 -17.513 1.00 0.38 C ATOM 2420 CG LYS A 153 11.318 -2.868 -17.875 1.00 0.71 C ATOM 2421 CD LYS A 153 10.980 -4.039 -18.800 1.00 0.72 C ATOM 2422 CE LYS A 153 10.031 -5.000 -18.081 1.00 1.09 C ATOM 2423 NZ LYS A 153 9.986 -6.296 -18.814 1.00 1.84 N ATOM 0 H LYS A 153 8.306 -0.334 -16.736 1.00 0.01 H new ATOM 0 HA LYS A 153 11.220 -0.802 -16.253 1.00 0.01 H new ATOM 0 HB2 LYS A 153 9.468 -2.669 -16.772 1.00 0.38 H new ATOM 0 HB3 LYS A 153 9.403 -2.006 -18.393 1.00 0.38 H new ATOM 0 HG2 LYS A 153 12.024 -2.197 -18.365 1.00 0.71 H new ATOM 0 HG3 LYS A 153 11.802 -3.235 -16.970 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.517 -3.671 -19.716 1.00 0.72 H new ATOM 0 HD3 LYS A 153 11.891 -4.561 -19.091 1.00 0.72 H new ATOM 0 HE2 LYS A 153 10.367 -5.161 -17.057 1.00 1.09 H new ATOM 0 HE3 LYS A 153 9.032 -4.567 -18.025 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 9.341 -6.949 -18.325 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 9.646 -6.135 -19.784 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 10.939 -6.710 -18.846 1.00 1.84 H new ATOM 2437 N LYS A 154 10.973 1.466 -17.860 1.00 0.00 N ATOM 2438 CA LYS A 154 11.382 2.426 -18.939 1.00 0.01 C ATOM 2439 C LYS A 154 12.767 2.997 -18.620 1.00 0.01 C ATOM 2440 O LYS A 154 13.404 2.605 -17.662 1.00 0.00 O ATOM 2441 CB LYS A 154 10.370 3.572 -19.006 1.00 0.39 C ATOM 2442 CG LYS A 154 9.010 3.030 -19.443 1.00 0.48 C ATOM 2443 CD LYS A 154 8.059 4.196 -19.717 1.00 0.97 C ATOM 2444 CE LYS A 154 6.636 3.665 -19.895 1.00 1.44 C ATOM 2445 NZ LYS A 154 6.652 2.511 -20.837 1.00 2.28 N ATOM 0 H LYS A 154 10.838 1.888 -16.941 1.00 0.00 H new ATOM 0 HA LYS A 154 11.414 1.904 -19.895 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.285 4.053 -18.032 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.712 4.332 -19.708 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.121 2.419 -20.339 1.00 0.48 H new ATOM 0 HG3 LYS A 154 8.597 2.385 -18.667 1.00 0.48 H new ATOM 0 HD2 LYS A 154 8.092 4.907 -18.892 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.373 4.732 -20.613 1.00 0.97 H new ATOM 0 HE2 LYS A 154 6.228 3.357 -18.932 1.00 1.44 H new ATOM 0 HE3 LYS A 154 5.988 4.453 -20.279 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 5.694 2.354 -21.210 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 7.300 2.714 -21.624 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 6.973 1.658 -20.336 1.00 2.28 H new ATOM 2459 N GLU A 155 13.230 3.932 -19.413 1.00 0.01 N ATOM 2460 CA GLU A 155 14.572 4.555 -19.168 1.00 0.01 C ATOM 2461 C GLU A 155 14.359 5.953 -18.588 1.00 0.01 C ATOM 2462 O GLU A 155 13.887 6.847 -19.262 1.00 0.01 O ATOM 2463 CB GLU A 155 15.336 4.661 -20.490 1.00 0.01 C ATOM 2464 CG GLU A 155 15.660 3.260 -21.010 1.00 0.01 C ATOM 2465 CD GLU A 155 16.247 3.361 -22.419 1.00 0.01 C ATOM 2466 OE1 GLU A 155 15.647 4.036 -23.242 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.284 2.762 -22.652 1.00 0.01 O ATOM 0 H GLU A 155 12.733 4.294 -20.227 1.00 0.01 H new ATOM 0 HA GLU A 155 15.147 3.944 -18.472 1.00 0.01 H new ATOM 0 HB2 GLU A 155 14.739 5.203 -21.224 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.256 5.228 -20.346 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.369 2.768 -20.344 1.00 0.01 H new ATOM 0 HG3 GLU A 155 14.758 2.648 -21.023 1.00 0.01 H new ATOM 2474 N TYR A 156 14.683 6.143 -17.333 1.00 0.00 N ATOM 2475 CA TYR A 156 14.478 7.477 -16.687 1.00 0.01 C ATOM 2476 C TYR A 156 15.799 8.250 -16.620 1.00 0.01 C ATOM 2477 O TYR A 156 16.729 7.849 -15.948 1.00 0.01 O ATOM 2478 CB TYR A 156 13.923 7.253 -15.282 1.00 0.01 C ATOM 2479 CG TYR A 156 12.917 6.129 -15.329 1.00 0.00 C ATOM 2480 CD1 TYR A 156 13.338 4.807 -15.147 1.00 0.01 C ATOM 2481 CD2 TYR A 156 11.563 6.407 -15.558 1.00 0.01 C ATOM 2482 CE1 TYR A 156 12.408 3.763 -15.195 1.00 0.01 C ATOM 2483 CE2 TYR A 156 10.632 5.363 -15.606 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.054 4.040 -15.423 1.00 0.01 C ATOM 2485 OH TYR A 156 10.137 3.010 -15.470 1.00 0.01 O ATOM 0 H TYR A 156 15.083 5.428 -16.725 1.00 0.00 H new ATOM 0 HA TYR A 156 13.775 8.067 -17.275 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.730 7.008 -14.592 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.453 8.164 -14.912 1.00 0.01 H new ATOM 0 HD1 TYR A 156 14.381 4.593 -14.969 1.00 0.01 H new ATOM 0 HD2 TYR A 156 11.238 7.427 -15.698 1.00 0.01 H new ATOM 0 HE1 TYR A 156 12.734 2.743 -15.056 1.00 0.01 H new ATOM 0 HE2 TYR A 156 9.589 5.577 -15.784 1.00 0.01 H new ATOM 0 HH TYR A 156 10.496 2.231 -14.996 1.00 0.01 H new ATOM 2495 N ARG A 157 15.900 9.338 -17.341 1.00 0.01 N ATOM 2496 CA ARG A 157 17.178 10.116 -17.353 1.00 0.01 C ATOM 2497 C ARG A 157 17.136 11.285 -16.362 1.00 0.00 C ATOM 2498 O ARG A 157 18.169 11.764 -15.938 1.00 0.01 O ATOM 2499 CB ARG A 157 17.409 10.669 -18.760 1.00 0.01 C ATOM 2500 CG ARG A 157 18.843 11.193 -18.872 1.00 0.01 C ATOM 2501 CD ARG A 157 19.068 11.769 -20.271 1.00 0.00 C ATOM 2502 NE ARG A 157 18.074 12.849 -20.532 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.255 13.678 -21.522 1.00 0.01 C ATOM 2504 NH1 ARG A 157 19.307 13.562 -22.284 1.00 0.01 N ATOM 2505 NH2 ARG A 157 17.384 14.622 -21.751 1.00 0.01 N ATOM 0 H ARG A 157 15.154 9.722 -17.922 1.00 0.01 H new ATOM 0 HA ARG A 157 17.987 9.447 -17.059 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.236 9.889 -19.502 1.00 0.01 H new ATOM 0 HB3 ARG A 157 16.700 11.470 -18.969 1.00 0.01 H new ATOM 0 HG2 ARG A 157 19.021 11.960 -18.118 1.00 0.01 H new ATOM 0 HG3 ARG A 157 19.552 10.387 -18.680 1.00 0.01 H new ATOM 0 HD2 ARG A 157 20.080 12.165 -20.354 1.00 0.00 H new ATOM 0 HD3 ARG A 157 18.971 10.982 -21.019 1.00 0.00 H new ATOM 0 HE ARG A 157 17.252 12.939 -19.936 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.987 12.823 -22.105 1.00 0.01 H new ATOM 0 HH12 ARG A 157 19.450 14.210 -23.059 1.00 0.01 H new ATOM 0 HH21 ARG A 157 16.561 14.712 -21.155 1.00 0.01 H new ATOM 0 HH22 ARG A 157 17.526 15.270 -22.526 1.00 0.01 H new ATOM 2519 N LYS A 158 15.968 11.754 -15.981 1.00 0.01 N ATOM 2520 CA LYS A 158 15.883 12.898 -15.007 1.00 0.01 C ATOM 2521 C LYS A 158 14.961 12.500 -13.838 1.00 0.01 C ATOM 2522 O LYS A 158 14.069 11.698 -14.015 1.00 0.01 O ATOM 2523 CB LYS A 158 15.288 14.113 -15.733 1.00 0.58 C ATOM 2524 CG LYS A 158 16.368 14.795 -16.580 1.00 0.97 C ATOM 2525 CD LYS A 158 15.814 16.094 -17.179 1.00 1.44 C ATOM 2526 CE LYS A 158 14.665 15.781 -18.146 1.00 2.13 C ATOM 2527 NZ LYS A 158 14.490 16.923 -19.088 1.00 2.54 N ATOM 0 H LYS A 158 15.069 11.395 -16.302 1.00 0.01 H new ATOM 0 HA LYS A 158 16.873 13.140 -14.622 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.460 13.798 -16.368 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.883 14.819 -15.008 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.243 15.011 -15.966 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.695 14.127 -17.377 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.461 16.749 -16.383 1.00 1.44 H new ATOM 0 HD3 LYS A 158 16.606 16.628 -17.704 1.00 1.44 H new ATOM 0 HE2 LYS A 158 14.879 14.867 -18.700 1.00 2.13 H new ATOM 0 HE3 LYS A 158 13.743 15.608 -17.590 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 13.712 16.715 -19.745 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 14.268 17.785 -18.551 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 15.368 17.067 -19.626 1.00 2.54 H new ATOM 2541 N PRO A 159 15.132 13.072 -12.660 1.00 0.01 N ATOM 2542 CA PRO A 159 14.231 12.736 -11.517 1.00 0.02 C ATOM 2543 C PRO A 159 12.773 13.073 -11.862 1.00 0.01 C ATOM 2544 O PRO A 159 11.869 12.334 -11.530 1.00 0.01 O ATOM 2545 CB PRO A 159 14.777 13.627 -10.381 1.00 0.41 C ATOM 2546 CG PRO A 159 15.825 14.587 -10.983 1.00 0.70 C ATOM 2547 CD PRO A 159 16.204 14.070 -12.381 1.00 0.28 C ATOM 0 HA PRO A 159 14.223 11.678 -11.254 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.967 14.190 -9.917 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.227 13.014 -9.600 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.422 15.598 -11.048 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.707 14.636 -10.344 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.215 14.871 -13.120 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.194 13.615 -12.390 1.00 0.28 H new ATOM 2555 N VAL A 160 12.528 14.174 -12.514 1.00 0.01 N ATOM 2556 CA VAL A 160 11.121 14.526 -12.859 1.00 0.02 C ATOM 2557 C VAL A 160 10.548 13.429 -13.758 1.00 0.02 C ATOM 2558 O VAL A 160 9.349 13.283 -13.883 1.00 0.02 O ATOM 2559 CB VAL A 160 11.099 15.866 -13.599 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.652 16.285 -13.857 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.790 16.928 -12.743 1.00 0.74 C ATOM 0 H VAL A 160 13.235 14.842 -12.822 1.00 0.01 H new ATOM 0 HA VAL A 160 10.522 14.610 -11.952 1.00 0.02 H new ATOM 0 HB VAL A 160 11.622 15.764 -14.550 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.638 17.239 -14.384 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.157 15.528 -14.465 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.128 16.388 -12.907 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.776 17.884 -13.267 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.265 17.028 -11.793 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.822 16.631 -12.558 1.00 0.74 H new ATOM 2571 N ASP A 161 11.386 12.654 -14.381 1.00 0.00 N ATOM 2572 CA ASP A 161 10.860 11.576 -15.260 1.00 0.01 C ATOM 2573 C ASP A 161 10.109 10.536 -14.417 1.00 0.01 C ATOM 2574 O ASP A 161 9.347 9.742 -14.933 1.00 0.01 O ATOM 2575 CB ASP A 161 12.019 10.900 -15.995 1.00 0.00 C ATOM 2576 CG ASP A 161 11.471 10.046 -17.140 1.00 0.02 C ATOM 2577 OD1 ASP A 161 10.290 9.741 -17.111 1.00 0.00 O ATOM 2578 OD2 ASP A 161 12.242 9.713 -18.025 1.00 0.00 O ATOM 0 H ASP A 161 12.402 12.718 -14.322 1.00 0.00 H new ATOM 0 HA ASP A 161 10.174 12.011 -15.987 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.704 11.653 -16.385 1.00 0.00 H new ATOM 0 HB3 ASP A 161 12.588 10.278 -15.304 1.00 0.00 H new ATOM 2583 N TRP A 162 10.296 10.554 -13.116 1.00 0.01 N ATOM 2584 CA TRP A 162 9.566 9.584 -12.236 1.00 0.01 C ATOM 2585 C TRP A 162 8.335 10.278 -11.648 1.00 0.01 C ATOM 2586 O TRP A 162 7.681 9.751 -10.771 1.00 0.01 O ATOM 2587 CB TRP A 162 10.449 9.130 -11.066 1.00 0.01 C ATOM 2588 CG TRP A 162 11.710 8.497 -11.563 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.795 7.597 -12.570 1.00 0.01 C ATOM 2590 CD2 TRP A 162 13.069 8.692 -11.075 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.120 7.229 -12.728 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.942 7.878 -11.832 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.621 9.490 -10.056 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.316 7.856 -11.590 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 15.003 9.471 -9.810 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.848 8.656 -10.574 1.00 0.01 C ATOM 0 H TRP A 162 10.920 11.196 -12.628 1.00 0.01 H new ATOM 0 HA TRP A 162 9.288 8.719 -12.838 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.691 9.985 -10.435 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.901 8.421 -10.446 1.00 0.01 H new ATOM 0 HD1 TRP A 162 10.966 7.227 -13.154 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.448 6.559 -13.423 1.00 0.01 H new ATOM 0 HE3 TRP A 162 12.978 10.121 -9.460 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 15.963 7.226 -12.182 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.417 10.089 -9.027 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.910 8.645 -10.378 1.00 0.01 H new ATOM 2607 N GLY A 163 7.992 11.437 -12.136 1.00 0.02 N ATOM 2608 CA GLY A 163 6.781 12.132 -11.614 1.00 0.01 C ATOM 2609 C GLY A 163 7.083 12.836 -10.287 1.00 0.01 C ATOM 2610 O GLY A 163 6.189 13.272 -9.590 1.00 0.01 O ATOM 0 H GLY A 163 8.496 11.933 -12.872 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.432 12.861 -12.345 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.976 11.411 -11.473 1.00 0.01 H new ATOM 2614 N ALA A 164 8.336 12.932 -9.921 1.00 0.01 N ATOM 2615 CA ALA A 164 8.702 13.584 -8.623 1.00 0.02 C ATOM 2616 C ALA A 164 9.170 15.020 -8.868 1.00 0.01 C ATOM 2617 O ALA A 164 9.858 15.315 -9.824 1.00 0.02 O ATOM 2618 CB ALA A 164 9.859 12.806 -7.993 1.00 0.01 C ATOM 0 H ALA A 164 9.126 12.586 -10.466 1.00 0.01 H new ATOM 0 HA ALA A 164 7.831 13.590 -7.968 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.137 13.270 -7.046 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.551 11.776 -7.816 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.715 12.818 -8.667 1.00 0.01 H new ATOM 2624 N ALA A 165 8.797 15.912 -7.994 1.00 0.02 N ATOM 2625 CA ALA A 165 9.204 17.338 -8.145 1.00 0.01 C ATOM 2626 C ALA A 165 10.593 17.559 -7.539 1.00 0.02 C ATOM 2627 O ALA A 165 11.178 18.612 -7.703 1.00 0.01 O ATOM 2628 CB ALA A 165 8.199 18.241 -7.427 1.00 0.59 C ATOM 0 H ALA A 165 8.223 15.713 -7.175 1.00 0.02 H new ATOM 0 HA ALA A 165 9.229 17.582 -9.207 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.500 19.282 -7.540 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.209 18.101 -7.861 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.171 17.984 -6.368 1.00 0.59 H new ATOM 2634 N SER A 166 11.138 16.585 -6.849 1.00 0.01 N ATOM 2635 CA SER A 166 12.499 16.752 -6.247 1.00 0.01 C ATOM 2636 C SER A 166 13.258 15.409 -6.327 1.00 0.02 C ATOM 2637 O SER A 166 12.644 14.362 -6.282 1.00 0.01 O ATOM 2638 CB SER A 166 12.353 17.163 -4.781 1.00 0.72 C ATOM 2639 OG SER A 166 13.543 16.831 -4.080 1.00 0.87 O ATOM 0 H SER A 166 10.698 15.681 -6.677 1.00 0.01 H new ATOM 0 HA SER A 166 13.051 17.519 -6.790 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.161 18.234 -4.709 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.499 16.655 -4.332 1.00 0.72 H new ATOM 0 HG SER A 166 13.454 17.095 -3.140 1.00 0.87 H new ATOM 2645 N PRO A 167 14.579 15.414 -6.427 1.00 0.02 N ATOM 2646 CA PRO A 167 15.346 14.130 -6.485 1.00 0.01 C ATOM 2647 C PRO A 167 15.451 13.454 -5.107 1.00 0.01 C ATOM 2648 O PRO A 167 16.321 12.629 -4.875 1.00 0.01 O ATOM 2649 CB PRO A 167 16.728 14.614 -6.953 1.00 0.38 C ATOM 2650 CG PRO A 167 16.836 16.101 -6.588 1.00 0.35 C ATOM 2651 CD PRO A 167 15.405 16.661 -6.500 1.00 0.22 C ATOM 0 HA PRO A 167 14.882 13.382 -7.128 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.520 14.041 -6.471 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.842 14.472 -8.028 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.356 16.226 -5.638 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.413 16.639 -7.340 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.268 17.292 -5.621 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.151 17.267 -7.370 1.00 0.22 H new ATOM 2659 N ALA A 168 14.606 13.820 -4.178 1.00 0.01 N ATOM 2660 CA ALA A 168 14.704 13.220 -2.814 1.00 0.01 C ATOM 2661 C ALA A 168 14.005 11.861 -2.750 1.00 0.01 C ATOM 2662 O ALA A 168 12.835 11.718 -3.044 1.00 0.02 O ATOM 2663 CB ALA A 168 14.048 14.158 -1.801 1.00 0.18 C ATOM 0 H ALA A 168 13.858 14.503 -4.303 1.00 0.01 H new ATOM 0 HA ALA A 168 15.760 13.079 -2.582 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.118 13.723 -0.804 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.558 15.121 -1.813 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.999 14.300 -2.062 1.00 0.18 H new ATOM 2669 N ILE A 169 14.751 10.870 -2.340 1.00 0.01 N ATOM 2670 CA ILE A 169 14.215 9.484 -2.208 1.00 0.01 C ATOM 2671 C ILE A 169 14.986 8.811 -1.069 1.00 0.01 C ATOM 2672 O ILE A 169 16.202 8.829 -1.052 1.00 0.01 O ATOM 2673 CB ILE A 169 14.428 8.721 -3.534 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.344 9.700 -4.719 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.352 7.646 -3.687 1.00 2.24 C ATOM 2676 CD1 ILE A 169 14.536 8.939 -6.034 1.00 3.99 C ATOM 0 H ILE A 169 15.734 10.966 -2.085 1.00 0.01 H new ATOM 0 HA ILE A 169 13.147 9.489 -1.991 1.00 0.01 H new ATOM 0 HB ILE A 169 15.412 8.253 -3.521 1.00 1.81 H new ATOM 0 HG12 ILE A 169 13.378 10.205 -4.718 1.00 2.75 H new ATOM 0 HG13 ILE A 169 15.107 10.472 -4.620 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.505 7.109 -4.623 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.415 6.947 -2.853 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.368 8.115 -3.694 1.00 2.24 H new ATOM 0 HD11 ILE A 169 14.476 9.636 -6.870 1.00 3.99 H new ATOM 0 HD12 ILE A 169 15.513 8.455 -6.035 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.757 8.184 -6.134 1.00 3.99 H new ATOM 2688 N GLN A 170 14.300 8.255 -0.089 1.00 0.01 N ATOM 2689 CA GLN A 170 15.006 7.630 1.077 1.00 0.01 C ATOM 2690 C GLN A 170 14.848 6.101 1.129 1.00 0.02 C ATOM 2691 O GLN A 170 15.609 5.450 1.818 1.00 0.01 O ATOM 2692 CB GLN A 170 14.453 8.226 2.374 1.00 2.62 C ATOM 2693 CG GLN A 170 14.720 9.733 2.400 1.00 3.39 C ATOM 2694 CD GLN A 170 16.210 9.986 2.636 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.924 10.364 1.729 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.712 9.792 3.826 1.00 5.17 N ATOM 0 H GLN A 170 13.282 8.209 -0.050 1.00 0.01 H new ATOM 0 HA GLN A 170 16.068 7.844 0.959 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.382 8.035 2.447 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.921 7.748 3.235 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.409 10.184 1.458 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.132 10.203 3.188 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.112 9.475 4.587 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.704 9.958 3.994 1.00 5.17 H new ATOM 2705 N SER A 171 13.910 5.480 0.449 1.00 0.01 N ATOM 2706 CA SER A 171 13.828 3.983 0.565 1.00 0.01 C ATOM 2707 C SER A 171 13.118 3.391 -0.658 1.00 0.01 C ATOM 2708 O SER A 171 12.390 4.066 -1.356 1.00 0.01 O ATOM 2709 CB SER A 171 13.051 3.617 1.829 1.00 0.01 C ATOM 2710 OG SER A 171 13.161 2.219 2.055 1.00 0.02 O ATOM 0 H SER A 171 13.221 5.922 -0.160 1.00 0.01 H new ATOM 0 HA SER A 171 14.838 3.576 0.618 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.443 4.168 2.684 1.00 0.01 H new ATOM 0 HB3 SER A 171 12.004 3.899 1.721 1.00 0.01 H new ATOM 0 HG SER A 171 14.068 1.922 1.831 1.00 0.02 H new ATOM 2716 N PHE A 172 13.310 2.116 -0.913 1.00 0.01 N ATOM 2717 CA PHE A 172 12.629 1.476 -2.081 1.00 0.01 C ATOM 2718 C PHE A 172 12.390 -0.012 -1.809 1.00 0.01 C ATOM 2719 O PHE A 172 13.097 -0.640 -1.036 1.00 0.01 O ATOM 2720 CB PHE A 172 13.477 1.647 -3.349 1.00 1.06 C ATOM 2721 CG PHE A 172 14.740 0.817 -3.269 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.696 -0.565 -3.506 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.964 1.434 -2.977 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.871 -1.324 -3.445 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.138 0.675 -2.920 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.091 -0.705 -3.152 1.00 1.92 C ATOM 0 H PHE A 172 13.906 1.496 -0.365 1.00 0.01 H new ATOM 0 HA PHE A 172 11.666 1.965 -2.231 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.897 1.350 -4.222 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.735 2.698 -3.480 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.755 -1.044 -3.736 1.00 0.75 H new ATOM 0 HD2 PHE A 172 16.001 2.498 -2.796 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.836 -2.388 -3.624 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.080 1.153 -2.697 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.997 -1.292 -3.105 1.00 1.92 H new ATOM 2736 N ARG A 173 11.374 -0.578 -2.422 1.00 0.01 N ATOM 2737 CA ARG A 173 11.055 -2.022 -2.190 1.00 0.01 C ATOM 2738 C ARG A 173 10.528 -2.663 -3.481 1.00 0.01 C ATOM 2739 O ARG A 173 9.887 -2.025 -4.301 1.00 0.01 O ATOM 2740 CB ARG A 173 9.962 -2.133 -1.118 1.00 0.01 C ATOM 2741 CG ARG A 173 10.554 -1.890 0.269 1.00 0.01 C ATOM 2742 CD ARG A 173 9.487 -2.184 1.327 1.00 0.01 C ATOM 2743 NE ARG A 173 8.995 -3.580 1.165 1.00 0.01 N ATOM 2744 CZ ARG A 173 8.305 -4.143 2.118 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.048 -3.482 3.214 1.00 0.01 N ATOM 2746 NH2 ARG A 173 7.874 -5.366 1.976 1.00 0.01 N ATOM 0 H ARG A 173 10.752 -0.099 -3.074 1.00 0.01 H new ATOM 0 HA ARG A 173 11.963 -2.533 -1.869 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.173 -1.407 -1.317 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.503 -3.121 -1.157 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.423 -2.529 0.424 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.896 -0.859 0.356 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.903 -2.048 2.325 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.659 -1.482 1.228 1.00 0.01 H new ATOM 0 HE ARG A 173 9.198 -4.096 0.309 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.387 -2.526 3.324 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.508 -3.921 3.960 1.00 0.01 H new ATOM 0 HH21 ARG A 173 8.077 -5.882 1.120 1.00 0.01 H new ATOM 0 HH22 ARG A 173 7.334 -5.806 2.721 1.00 0.01 H new ATOM 2760 N ARG A 174 10.781 -3.935 -3.648 1.00 0.01 N ATOM 2761 CA ARG A 174 10.293 -4.661 -4.855 1.00 0.01 C ATOM 2762 C ARG A 174 8.889 -5.213 -4.581 1.00 0.01 C ATOM 2763 O ARG A 174 8.585 -5.629 -3.480 1.00 0.01 O ATOM 2764 CB ARG A 174 11.228 -5.829 -5.172 1.00 0.01 C ATOM 2765 CG ARG A 174 10.900 -6.385 -6.558 1.00 0.01 C ATOM 2766 CD ARG A 174 11.575 -7.747 -6.734 1.00 0.01 C ATOM 2767 NE ARG A 174 10.971 -8.727 -5.788 1.00 0.01 N ATOM 2768 CZ ARG A 174 11.174 -10.004 -5.955 1.00 0.01 C ATOM 2769 NH1 ARG A 174 11.907 -10.423 -6.949 1.00 0.01 N ATOM 2770 NH2 ARG A 174 10.646 -10.864 -5.128 1.00 0.01 N ATOM 0 H ARG A 174 11.311 -4.507 -2.991 1.00 0.01 H new ATOM 0 HA ARG A 174 10.268 -3.973 -5.700 1.00 0.01 H new ATOM 0 HB2 ARG A 174 12.266 -5.497 -5.138 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.119 -6.610 -4.420 1.00 0.01 H new ATOM 0 HG2 ARG A 174 9.821 -6.484 -6.676 1.00 0.01 H new ATOM 0 HG3 ARG A 174 11.243 -5.695 -7.329 1.00 0.01 H new ATOM 0 HD2 ARG A 174 11.455 -8.094 -7.760 1.00 0.01 H new ATOM 0 HD3 ARG A 174 12.646 -7.661 -6.550 1.00 0.01 H new ATOM 0 HE ARG A 174 10.399 -8.399 -5.010 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.321 -9.752 -7.596 1.00 0.01 H new ATOM 0 HH12 ARG A 174 12.066 -11.422 -7.080 1.00 0.01 H new ATOM 0 HH21 ARG A 174 10.073 -10.538 -4.350 1.00 0.01 H new ATOM 0 HH22 ARG A 174 10.806 -11.863 -5.260 1.00 0.01 H new ATOM 2784 N ILE A 175 8.041 -5.242 -5.577 1.00 0.01 N ATOM 2785 CA ILE A 175 6.664 -5.796 -5.368 1.00 0.01 C ATOM 2786 C ILE A 175 6.640 -7.267 -5.788 1.00 0.00 C ATOM 2787 O ILE A 175 7.066 -7.614 -6.871 1.00 0.01 O ATOM 2788 CB ILE A 175 5.633 -5.031 -6.204 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.858 -3.519 -6.060 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.226 -5.389 -5.707 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.670 -2.749 -6.663 1.00 3.04 C ATOM 0 H ILE A 175 8.238 -4.909 -6.521 1.00 0.01 H new ATOM 0 HA ILE A 175 6.411 -5.694 -4.313 1.00 0.01 H new ATOM 0 HB ILE A 175 5.739 -5.306 -7.253 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.974 -3.259 -5.008 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.781 -3.231 -6.563 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.484 -4.850 -6.296 1.00 1.75 H new ATOM 0 HG22 ILE A 175 4.064 -6.462 -5.814 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.129 -5.110 -4.658 1.00 1.75 H new ATOM 0 HD11 ILE A 175 4.839 -1.677 -6.556 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.574 -2.997 -7.720 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.754 -3.026 -6.141 1.00 3.04 H new ATOM 2803 N VAL A 176 6.146 -8.137 -4.942 1.00 0.01 N ATOM 2804 CA VAL A 176 6.092 -9.591 -5.291 1.00 0.00 C ATOM 2805 C VAL A 176 4.730 -10.164 -4.894 1.00 0.01 C ATOM 2806 O VAL A 176 4.136 -9.759 -3.914 1.00 0.00 O ATOM 2807 CB VAL A 176 7.182 -10.340 -4.525 1.00 1.38 C ATOM 2808 CG1 VAL A 176 6.968 -10.157 -3.019 1.00 1.88 C ATOM 2809 CG2 VAL A 176 7.115 -11.829 -4.870 1.00 1.89 C ATOM 0 H VAL A 176 5.776 -7.902 -4.021 1.00 0.01 H new ATOM 0 HA VAL A 176 6.244 -9.707 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 176 8.158 -9.944 -4.804 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.746 -10.691 -2.473 1.00 1.88 H new ATOM 0 HG12 VAL A 176 7.014 -9.097 -2.771 1.00 1.88 H new ATOM 0 HG13 VAL A 176 5.992 -10.553 -2.740 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.892 -12.364 -4.324 1.00 1.89 H new ATOM 0 HG22 VAL A 176 6.138 -12.224 -4.591 1.00 1.89 H new ATOM 0 HG23 VAL A 176 7.267 -11.961 -5.941 1.00 1.89 H new ATOM 2819 N GLU A 177 4.231 -11.104 -5.649 1.00 0.01 N ATOM 2820 CA GLU A 177 2.909 -11.707 -5.320 1.00 0.01 C ATOM 2821 C GLU A 177 1.873 -10.594 -5.138 1.00 0.01 C ATOM 2822 CB GLU A 177 3.023 -12.517 -4.027 1.00 2.15 C ATOM 2823 CG GLU A 177 1.669 -13.153 -3.701 1.00 3.19 C ATOM 2824 CD GLU A 177 1.842 -14.166 -2.567 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.410 -15.217 -2.818 1.00 4.77 O ATOM 2826 OE2 GLU A 177 1.403 -13.876 -1.467 1.00 4.89 O ATOM 0 H GLU A 177 4.683 -11.481 -6.482 1.00 0.01 H new ATOM 0 HA GLU A 177 2.597 -12.365 -6.132 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.783 -13.291 -4.136 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.340 -11.872 -3.208 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.954 -12.383 -3.410 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.264 -13.646 -4.585 1.00 3.19 H new TER 2833 GLU A 177