USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 926 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 108 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Set 1.2: A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 72 CYS SG : rot 102:sc= 0.746 USER MOD Set 2.2: A 90 CYS SG : rot 26:sc=-0.00942 USER MOD Set 3.1: A 85 THR OG1 : rot -150:sc= 0.888 USER MOD Set 3.2: A 89 LYS NZ :NH3+ 156:sc= 1.02 (180deg=0) USER MOD Set 4.1: A 62 CYS SG : rot 180:sc= 0.918 USER MOD Set 4.2: A 76 CYS SG : rot -50:sc= 0.568 USER MOD Set 5.1: A 44 ASN :FLIP amide:sc= 0.485 X(o=1.4,f=1.5) USER MOD Set 5.2: A 48 SER OG : rot 79:sc= 0.564 USER MOD Set 5.3: A 57 ASN : amide:sc= 0.429 X(o=1.5,f=1.4) USER MOD Set 6.1: A 43 THR OG1 : rot 180:sc= 0.407 USER MOD Set 6.2: A 49 LYS NZ :NH3+ 163:sc= 0.43 (180deg=0) USER MOD Set 7.1: A 28 CYS SG : rot 180:sc= 0.109 USER MOD Set 7.2: A 32 HIS : no HD1:sc= 0 X(o=0.082,f=-0.094) USER MOD Set 7.3: A 110 CYS SG : rot -93:sc= -0.0268 USER MOD Set 8.1: A 7 CYS SG : rot 180:sc= 0.322 USER MOD Set 8.2: A 120 CYS SG : rot -58:sc=-0.00928 USER MOD Set 9.1: A 1 GLY N :NH3+ -175:sc= 0.532 (180deg=0.322) USER MOD Set 9.2: A 39 SER OG : rot 180:sc= 0.237 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 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.003) USER MOD Single : A 16 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-1.8) USER MOD Single : A 21 ASN : amide:sc= 0.0694 K(o=0.069,f=-2.3!) USER MOD Single : A 23 MET CE :methyl 148:sc= -0.118 (180deg=-3.22!) USER MOD Single : A 25 ASN : amide:sc= 0.217 K(o=0.22,f=-3.3!) USER MOD Single : A 34 SER OG : rot -113:sc= 0.58 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 159:sc= 0.634 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.946 K(o=0.95,f=-0.014) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.34 K(o=-1.3,f=-8.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.328 USER MOD Single : A 63 SER OG : rot -149:sc= 0.643 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 70 LYS NZ :NH3+ 130:sc= 1.66 (180deg=0.464) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.885) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 1.79 (180deg=1.68) USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 0.904 (180deg=0.713) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0661 X(o=-0.066,f=-0.066) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -160:sc= 0.0548 (180deg=0.00833) USER MOD Single : A 111 GLN : amide:sc= -0.975 K(o=-0.98,f=-4.6!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -71:sc= 1.2 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.370 -8.206 9.969 1.00 0.00 N ATOM 2 CA GLY A 1 -7.683 -7.598 8.661 1.00 0.00 C ATOM 3 C GLY A 1 -8.406 -8.564 7.738 1.00 0.00 C ATOM 4 O GLY A 1 -9.160 -9.423 8.198 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.954 -7.487 10.595 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.242 -8.576 10.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.693 -8.984 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.300 -6.712 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.760 -7.266 8.186 1.00 0.00 H new ATOM 10 N LYS A 2 -8.193 -8.415 6.427 1.00 0.00 N ATOM 11 CA LYS A 2 -8.854 -9.153 5.341 1.00 0.00 C ATOM 12 C LYS A 2 -8.058 -9.102 4.018 1.00 0.00 C ATOM 13 O LYS A 2 -7.156 -8.271 3.860 1.00 0.00 O ATOM 14 CB LYS A 2 -10.284 -8.600 5.151 1.00 0.00 C ATOM 15 CG LYS A 2 -10.317 -7.147 4.634 1.00 0.00 C ATOM 16 CD LYS A 2 -11.734 -6.656 4.306 1.00 0.00 C ATOM 17 CE LYS A 2 -12.294 -7.328 3.044 1.00 0.00 C ATOM 18 NZ LYS A 2 -13.631 -6.787 2.684 1.00 0.00 N ATOM 0 H LYS A 2 -7.517 -7.738 6.073 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.900 -10.205 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.822 -9.239 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.814 -8.651 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.876 -6.491 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.697 -7.071 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.394 -6.860 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.721 -5.575 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.604 -7.177 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.367 -8.403 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.979 -7.263 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.295 -6.954 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.555 -5.765 2.506 1.00 0.00 H new ATOM 32 N THR A 3 -8.456 -9.933 3.043 1.00 0.00 N ATOM 33 CA THR A 3 -7.866 -9.989 1.693 1.00 0.00 C ATOM 34 C THR A 3 -8.895 -9.579 0.642 1.00 0.00 C ATOM 35 O THR A 3 -10.030 -10.054 0.668 1.00 0.00 O ATOM 36 CB THR A 3 -7.289 -11.378 1.391 1.00 0.00 C ATOM 37 OG1 THR A 3 -6.524 -11.818 2.494 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.356 -11.336 0.179 1.00 0.00 C ATOM 0 H THR A 3 -9.215 -10.602 3.173 1.00 0.00 H new ATOM 0 HA THR A 3 -7.039 -9.280 1.657 1.00 0.00 H new ATOM 0 HB THR A 3 -8.125 -12.048 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.156 -12.706 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.962 -12.334 -0.012 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.910 -10.992 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.531 -10.652 0.378 1.00 0.00 H new ATOM 46 N PHE A 4 -8.493 -8.699 -0.276 1.00 0.00 N ATOM 47 CA PHE A 4 -9.316 -8.176 -1.373 1.00 0.00 C ATOM 48 C PHE A 4 -9.080 -8.952 -2.681 1.00 0.00 C ATOM 49 O PHE A 4 -8.055 -9.617 -2.861 1.00 0.00 O ATOM 50 CB PHE A 4 -9.021 -6.666 -1.569 1.00 0.00 C ATOM 51 CG PHE A 4 -9.479 -5.773 -0.422 1.00 0.00 C ATOM 52 CD1 PHE A 4 -8.795 -5.770 0.812 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.617 -4.952 -0.578 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.277 -5.006 1.889 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.100 -4.196 0.504 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.439 -4.231 1.742 1.00 0.00 C ATOM 0 H PHE A 4 -7.548 -8.314 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.365 -8.307 -1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.948 -6.534 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.504 -6.332 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.897 -6.358 0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.119 -4.905 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.752 -5.015 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.983 -3.586 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.822 -3.664 2.578 1.00 0.00 H new ATOM 66 N THR A 5 -10.021 -8.809 -3.621 1.00 0.00 N ATOM 67 CA THR A 5 -9.893 -9.217 -5.034 1.00 0.00 C ATOM 68 C THR A 5 -9.676 -7.959 -5.870 1.00 0.00 C ATOM 69 O THR A 5 -9.982 -6.865 -5.397 1.00 0.00 O ATOM 70 CB THR A 5 -11.102 -10.048 -5.481 1.00 0.00 C ATOM 71 OG1 THR A 5 -10.819 -10.541 -6.771 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.419 -9.269 -5.541 1.00 0.00 C ATOM 0 H THR A 5 -10.928 -8.391 -3.416 1.00 0.00 H new ATOM 0 HA THR A 5 -9.033 -9.873 -5.172 1.00 0.00 H new ATOM 0 HB THR A 5 -11.247 -10.833 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.573 -11.080 -7.088 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.220 -9.933 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.654 -8.874 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.322 -8.445 -6.247 1.00 0.00 H new ATOM 80 N ARG A 6 -9.149 -8.068 -7.094 1.00 0.00 N ATOM 81 CA ARG A 6 -8.798 -6.895 -7.913 1.00 0.00 C ATOM 82 C ARG A 6 -10.005 -5.974 -8.146 1.00 0.00 C ATOM 83 O ARG A 6 -9.906 -4.765 -7.937 1.00 0.00 O ATOM 84 CB ARG A 6 -8.151 -7.347 -9.233 1.00 0.00 C ATOM 85 CG ARG A 6 -7.494 -6.167 -9.973 1.00 0.00 C ATOM 86 CD ARG A 6 -6.782 -6.611 -11.256 1.00 0.00 C ATOM 87 NE ARG A 6 -5.659 -7.520 -10.964 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.273 -8.576 -11.666 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.896 -8.969 -12.759 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.224 -9.255 -11.265 1.00 0.00 N ATOM 0 H ARG A 6 -8.954 -8.962 -7.545 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.068 -6.301 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.402 -8.112 -9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.907 -7.803 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.255 -5.426 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.777 -5.680 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.493 -7.110 -11.914 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.413 -5.735 -11.790 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.117 -7.313 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.710 -8.454 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.564 -9.788 -13.269 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.721 -8.967 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.912 -10.070 -11.792 1.00 0.00 H new ATOM 104 N CYS A 7 -11.172 -6.542 -8.466 1.00 0.00 N ATOM 105 CA CYS A 7 -12.427 -5.792 -8.651 1.00 0.00 C ATOM 106 C CYS A 7 -12.920 -5.081 -7.379 1.00 0.00 C ATOM 107 O CYS A 7 -13.582 -4.049 -7.474 1.00 0.00 O ATOM 108 CB CYS A 7 -13.507 -6.738 -9.195 1.00 0.00 C ATOM 109 SG CYS A 7 -13.078 -7.568 -10.750 1.00 0.00 S ATOM 0 H CYS A 7 -11.277 -7.547 -8.606 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.220 -4.997 -9.368 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.719 -7.496 -8.441 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.426 -6.171 -9.344 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.058 -8.341 -11.114 1.00 0.00 H new ATOM 114 N GLY A 8 -12.543 -5.582 -6.195 1.00 0.00 N ATOM 115 CA GLY A 8 -12.778 -4.927 -4.904 1.00 0.00 C ATOM 116 C GLY A 8 -11.751 -3.827 -4.648 1.00 0.00 C ATOM 117 O GLY A 8 -12.128 -2.705 -4.327 1.00 0.00 O ATOM 0 H GLY A 8 -12.055 -6.474 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.782 -4.502 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.730 -5.666 -4.104 1.00 0.00 H new ATOM 121 N LEU A 9 -10.458 -4.116 -4.839 1.00 0.00 N ATOM 122 CA LEU A 9 -9.361 -3.175 -4.623 1.00 0.00 C ATOM 123 C LEU A 9 -9.434 -1.966 -5.562 1.00 0.00 C ATOM 124 O LEU A 9 -9.342 -0.846 -5.070 1.00 0.00 O ATOM 125 CB LEU A 9 -8.029 -3.939 -4.740 1.00 0.00 C ATOM 126 CG LEU A 9 -6.812 -3.061 -4.393 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.853 -2.592 -2.931 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.503 -3.809 -4.658 1.00 0.00 C ATOM 0 H LEU A 9 -10.142 -5.033 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.441 -2.754 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.050 -4.803 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.920 -4.320 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.857 -2.183 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.979 -1.975 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.758 -2.009 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.851 -3.459 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.659 -3.167 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.469 -4.711 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.447 -4.083 -5.712 1.00 0.00 H new ATOM 140 N VAL A 10 -9.670 -2.160 -6.865 1.00 0.00 N ATOM 141 CA VAL A 10 -9.866 -1.054 -7.833 1.00 0.00 C ATOM 142 C VAL A 10 -10.927 -0.068 -7.317 1.00 0.00 C ATOM 143 O VAL A 10 -10.717 1.140 -7.320 1.00 0.00 O ATOM 144 CB VAL A 10 -10.273 -1.589 -9.231 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.782 -0.480 -10.167 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.101 -2.291 -9.934 1.00 0.00 C ATOM 0 H VAL A 10 -9.732 -3.087 -7.287 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.914 -0.532 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.080 -2.297 -9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.052 -0.913 -11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.657 -0.004 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.998 0.264 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.426 -2.652 -10.910 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.279 -1.587 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.766 -3.133 -9.329 1.00 0.00 H new ATOM 156 N HIS A 11 -12.046 -0.588 -6.807 1.00 0.00 N ATOM 157 CA HIS A 11 -13.146 0.209 -6.243 1.00 0.00 C ATOM 158 C HIS A 11 -12.782 0.877 -4.905 1.00 0.00 C ATOM 159 O HIS A 11 -13.092 2.052 -4.699 1.00 0.00 O ATOM 160 CB HIS A 11 -14.380 -0.688 -6.061 1.00 0.00 C ATOM 161 CG HIS A 11 -15.117 -1.062 -7.324 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.406 -1.602 -7.344 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.687 -0.899 -8.614 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.716 -1.759 -8.640 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.708 -1.347 -9.425 1.00 0.00 N ATOM 0 H HIS A 11 -12.219 -1.593 -6.772 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.357 1.014 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.068 -1.605 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.077 -0.182 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.736 -0.499 -8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.650 -2.162 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.699 -1.363 -10.445 1.00 0.00 H new ATOM 173 N GLU A 12 -12.101 0.153 -4.015 1.00 0.00 N ATOM 174 CA GLU A 12 -11.678 0.639 -2.700 1.00 0.00 C ATOM 175 C GLU A 12 -10.711 1.827 -2.835 1.00 0.00 C ATOM 176 O GLU A 12 -10.870 2.842 -2.165 1.00 0.00 O ATOM 177 CB GLU A 12 -11.044 -0.533 -1.924 1.00 0.00 C ATOM 178 CG GLU A 12 -11.240 -0.464 -0.409 1.00 0.00 C ATOM 179 CD GLU A 12 -12.726 -0.472 -0.002 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.451 -1.435 -0.344 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.178 0.483 0.671 1.00 0.00 O ATOM 0 H GLU A 12 -11.821 -0.812 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.541 1.006 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.468 -1.468 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.976 -0.561 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.735 -1.310 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.767 0.440 -0.026 1.00 0.00 H new ATOM 188 N LEU A 13 -9.766 1.753 -3.775 1.00 0.00 N ATOM 189 CA LEU A 13 -8.808 2.826 -4.058 1.00 0.00 C ATOM 190 C LEU A 13 -9.460 4.004 -4.793 1.00 0.00 C ATOM 191 O LEU A 13 -9.186 5.157 -4.462 1.00 0.00 O ATOM 192 CB LEU A 13 -7.650 2.244 -4.873 1.00 0.00 C ATOM 193 CG LEU A 13 -6.886 1.102 -4.187 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.899 0.517 -5.195 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.139 1.530 -2.921 1.00 0.00 C ATOM 0 H LEU A 13 -9.642 0.934 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.436 3.223 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.041 1.881 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.948 3.045 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.620 0.364 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.344 -0.297 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.444 0.137 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.204 1.293 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.624 0.669 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.410 2.301 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.850 1.925 -2.195 1.00 0.00 H new ATOM 207 N ARG A 14 -10.366 3.735 -5.743 1.00 0.00 N ATOM 208 CA ARG A 14 -11.180 4.780 -6.397 1.00 0.00 C ATOM 209 C ARG A 14 -11.974 5.610 -5.371 1.00 0.00 C ATOM 210 O ARG A 14 -12.017 6.837 -5.470 1.00 0.00 O ATOM 211 CB ARG A 14 -12.148 4.169 -7.425 1.00 0.00 C ATOM 212 CG ARG A 14 -11.493 3.847 -8.775 1.00 0.00 C ATOM 213 CD ARG A 14 -12.456 3.010 -9.623 1.00 0.00 C ATOM 214 NE ARG A 14 -11.922 2.721 -10.962 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.489 1.914 -11.856 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.655 1.347 -11.641 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.892 1.643 -12.994 1.00 0.00 N ATOM 0 H ARG A 14 -10.558 2.792 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.485 5.442 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.574 3.255 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.975 4.861 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.239 4.769 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.562 3.303 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.666 2.072 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.404 3.540 -9.720 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.048 3.175 -11.227 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.153 1.520 -10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.062 0.734 -12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.981 2.053 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.339 1.023 -13.669 1.00 0.00 H new ATOM 231 N LYS A 15 -12.553 4.966 -4.351 1.00 0.00 N ATOM 232 CA LYS A 15 -13.249 5.615 -3.239 1.00 0.00 C ATOM 233 C LYS A 15 -12.288 6.374 -2.297 1.00 0.00 C ATOM 234 O LYS A 15 -12.648 7.425 -1.764 1.00 0.00 O ATOM 235 CB LYS A 15 -14.040 4.500 -2.537 1.00 0.00 C ATOM 236 CG LYS A 15 -14.800 4.927 -1.282 1.00 0.00 C ATOM 237 CD LYS A 15 -15.886 5.986 -1.536 1.00 0.00 C ATOM 238 CE LYS A 15 -16.628 6.367 -0.245 1.00 0.00 C ATOM 239 NZ LYS A 15 -17.508 5.277 0.258 1.00 0.00 N ATOM 0 H LYS A 15 -12.549 3.949 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.921 6.397 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.752 4.080 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.349 3.701 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.263 4.048 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.089 5.319 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.430 6.876 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.600 5.606 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.900 6.624 0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.229 7.258 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.996 5.595 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.211 5.035 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.932 4.438 0.475 1.00 0.00 H new ATOM 253 N HIS A 16 -11.053 5.893 -2.141 1.00 0.00 N ATOM 254 CA HIS A 16 -10.034 6.467 -1.248 1.00 0.00 C ATOM 255 C HIS A 16 -9.163 7.578 -1.881 1.00 0.00 C ATOM 256 O HIS A 16 -8.316 8.152 -1.190 1.00 0.00 O ATOM 257 CB HIS A 16 -9.191 5.318 -0.665 1.00 0.00 C ATOM 258 CG HIS A 16 -9.953 4.419 0.280 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.293 4.544 0.665 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.411 3.350 0.924 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.524 3.518 1.499 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.414 2.788 1.683 1.00 0.00 N ATOM 0 H HIS A 16 -10.721 5.071 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.558 6.991 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.797 4.717 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.334 5.739 -0.139 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.389 3.007 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.477 3.308 1.961 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.328 1.964 2.278 1.00 0.00 H new ATOM 270 N GLY A 17 -9.386 7.917 -3.158 1.00 0.00 N ATOM 271 CA GLY A 17 -8.752 9.056 -3.841 1.00 0.00 C ATOM 272 C GLY A 17 -7.493 8.694 -4.631 1.00 0.00 C ATOM 273 O GLY A 17 -6.551 9.487 -4.674 1.00 0.00 O ATOM 0 H GLY A 17 -10.025 7.397 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.476 9.506 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.497 9.813 -3.100 1.00 0.00 H new ATOM 277 N PHE A 18 -7.455 7.509 -5.246 1.00 0.00 N ATOM 278 CA PHE A 18 -6.377 7.088 -6.145 1.00 0.00 C ATOM 279 C PHE A 18 -6.691 7.452 -7.600 1.00 0.00 C ATOM 280 O PHE A 18 -7.846 7.496 -8.028 1.00 0.00 O ATOM 281 CB PHE A 18 -6.119 5.587 -5.989 1.00 0.00 C ATOM 282 CG PHE A 18 -5.376 5.223 -4.719 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.982 5.392 -3.461 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.057 4.739 -4.794 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.267 5.105 -2.291 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.353 4.411 -3.623 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.958 4.596 -2.369 1.00 0.00 C ATOM 0 H PHE A 18 -8.183 6.804 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.469 7.624 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.073 5.060 -6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.547 5.235 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.001 5.744 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.583 4.619 -5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.722 5.275 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.349 4.018 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.419 4.348 -1.466 1.00 0.00 H new ATOM 297 N GLU A 19 -5.629 7.719 -8.354 1.00 0.00 N ATOM 298 CA GLU A 19 -5.658 8.212 -9.725 1.00 0.00 C ATOM 299 C GLU A 19 -6.119 7.101 -10.682 1.00 0.00 C ATOM 300 O GLU A 19 -5.492 6.042 -10.759 1.00 0.00 O ATOM 301 CB GLU A 19 -4.250 8.691 -10.115 1.00 0.00 C ATOM 302 CG GLU A 19 -3.658 9.852 -9.299 1.00 0.00 C ATOM 303 CD GLU A 19 -3.347 9.535 -7.822 1.00 0.00 C ATOM 304 OE1 GLU A 19 -3.064 8.364 -7.477 1.00 0.00 O ATOM 305 OE2 GLU A 19 -3.439 10.458 -6.980 1.00 0.00 O ATOM 0 H GLU A 19 -4.678 7.591 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.362 9.041 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.570 7.842 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.272 8.990 -11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.739 10.182 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.355 10.690 -9.334 1.00 0.00 H new ATOM 312 N GLU A 20 -7.197 7.335 -11.435 1.00 0.00 N ATOM 313 CA GLU A 20 -7.791 6.321 -12.322 1.00 0.00 C ATOM 314 C GLU A 20 -6.844 5.848 -13.442 1.00 0.00 C ATOM 315 O GLU A 20 -6.920 4.695 -13.867 1.00 0.00 O ATOM 316 CB GLU A 20 -9.133 6.820 -12.887 1.00 0.00 C ATOM 317 CG GLU A 20 -9.019 8.037 -13.819 1.00 0.00 C ATOM 318 CD GLU A 20 -10.405 8.502 -14.288 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.893 8.010 -15.334 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.015 9.370 -13.619 1.00 0.00 O ATOM 0 H GLU A 20 -7.685 8.231 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.973 5.439 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.609 6.005 -13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.790 7.075 -12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.515 8.852 -13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.405 7.782 -14.683 1.00 0.00 H new ATOM 327 N ASN A 21 -5.902 6.698 -13.873 1.00 0.00 N ATOM 328 CA ASN A 21 -4.867 6.350 -14.852 1.00 0.00 C ATOM 329 C ASN A 21 -3.667 5.594 -14.243 1.00 0.00 C ATOM 330 O ASN A 21 -2.886 4.999 -14.988 1.00 0.00 O ATOM 331 CB ASN A 21 -4.413 7.617 -15.598 1.00 0.00 C ATOM 332 CG ASN A 21 -3.605 8.574 -14.723 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.089 9.078 -13.717 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.358 8.839 -15.065 1.00 0.00 N ATOM 0 H ASN A 21 -5.838 7.662 -13.545 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.316 5.652 -15.558 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.812 7.327 -16.460 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.290 8.139 -15.982 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.794 9.465 -14.491 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.959 8.417 -15.903 1.00 0.00 H new ATOM 341 N LEU A 22 -3.523 5.586 -12.907 1.00 0.00 N ATOM 342 CA LEU A 22 -2.496 4.823 -12.182 1.00 0.00 C ATOM 343 C LEU A 22 -3.046 3.556 -11.510 1.00 0.00 C ATOM 344 O LEU A 22 -2.266 2.784 -10.961 1.00 0.00 O ATOM 345 CB LEU A 22 -1.833 5.714 -11.117 1.00 0.00 C ATOM 346 CG LEU A 22 -1.209 7.039 -11.601 1.00 0.00 C ATOM 347 CD1 LEU A 22 -0.536 7.723 -10.402 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.190 6.850 -12.736 1.00 0.00 C ATOM 0 H LEU A 22 -4.132 6.122 -12.288 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.765 4.504 -12.925 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.580 5.949 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.053 5.132 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.009 7.655 -12.010 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.088 8.663 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.281 7.921 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.239 7.071 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.211 7.820 -13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.623 6.210 -12.392 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.680 6.386 -13.592 1.00 0.00 H new ATOM 360 N MET A 23 -4.363 3.318 -11.535 1.00 0.00 N ATOM 361 CA MET A 23 -5.025 2.205 -10.834 1.00 0.00 C ATOM 362 C MET A 23 -4.382 0.843 -11.150 1.00 0.00 C ATOM 363 O MET A 23 -4.066 0.085 -10.232 1.00 0.00 O ATOM 364 CB MET A 23 -6.526 2.253 -11.168 1.00 0.00 C ATOM 365 CG MET A 23 -7.405 1.431 -10.212 1.00 0.00 C ATOM 366 SD MET A 23 -7.283 1.890 -8.469 1.00 0.00 S ATOM 367 CE MET A 23 -7.771 3.627 -8.595 1.00 0.00 C ATOM 0 H MET A 23 -5.015 3.906 -12.054 1.00 0.00 H new ATOM 0 HA MET A 23 -4.895 2.322 -9.758 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.859 3.291 -11.150 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.673 1.889 -12.185 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.444 1.529 -10.525 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.139 0.379 -10.314 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.293 3.925 -7.686 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.883 4.246 -8.724 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.432 3.758 -9.452 1.00 0.00 H new ATOM 377 N ARG A 24 -4.072 0.580 -12.430 1.00 0.00 N ATOM 378 CA ARG A 24 -3.334 -0.611 -12.885 1.00 0.00 C ATOM 379 C ARG A 24 -1.984 -0.772 -12.166 1.00 0.00 C ATOM 380 O ARG A 24 -1.681 -1.843 -11.639 1.00 0.00 O ATOM 381 CB ARG A 24 -3.096 -0.534 -14.406 1.00 0.00 C ATOM 382 CG ARG A 24 -4.388 -0.439 -15.229 1.00 0.00 C ATOM 383 CD ARG A 24 -4.116 -0.393 -16.738 1.00 0.00 C ATOM 384 NE ARG A 24 -3.613 -1.681 -17.241 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.156 -1.931 -18.462 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.104 -0.997 -19.391 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.739 -3.137 -18.777 1.00 0.00 N ATOM 0 H ARG A 24 -4.333 1.203 -13.194 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.946 -1.480 -12.643 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.473 0.333 -14.624 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.538 -1.415 -14.723 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.024 -1.295 -15.003 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.939 0.454 -14.934 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.033 -0.130 -17.265 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.389 0.390 -16.953 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.616 -2.462 -16.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.420 -0.050 -19.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.747 -1.221 -20.320 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.766 -3.884 -18.083 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.388 -3.326 -19.716 1.00 0.00 H new ATOM 401 N ASN A 25 -1.194 0.302 -12.100 1.00 0.00 N ATOM 402 CA ASN A 25 0.101 0.355 -11.413 1.00 0.00 C ATOM 403 C ASN A 25 -0.069 0.076 -9.911 1.00 0.00 C ATOM 404 O ASN A 25 0.641 -0.759 -9.352 1.00 0.00 O ATOM 405 CB ASN A 25 0.786 1.725 -11.614 1.00 0.00 C ATOM 406 CG ASN A 25 0.844 2.239 -13.055 1.00 0.00 C ATOM 407 OD1 ASN A 25 -0.160 2.353 -13.749 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.017 2.608 -13.538 1.00 0.00 N ATOM 0 H ASN A 25 -1.445 1.189 -12.537 1.00 0.00 H new ATOM 0 HA ASN A 25 0.735 -0.417 -11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.263 2.463 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.804 1.660 -11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.083 2.985 -14.483 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.856 2.516 -12.966 1.00 0.00 H new ATOM 415 N TRP A 26 -1.055 0.721 -9.274 1.00 0.00 N ATOM 416 CA TRP A 26 -1.341 0.599 -7.846 1.00 0.00 C ATOM 417 C TRP A 26 -1.812 -0.805 -7.455 1.00 0.00 C ATOM 418 O TRP A 26 -1.229 -1.398 -6.543 1.00 0.00 O ATOM 419 CB TRP A 26 -2.361 1.670 -7.439 1.00 0.00 C ATOM 420 CG TRP A 26 -1.798 3.040 -7.224 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.128 4.160 -7.906 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.856 3.469 -6.193 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.485 5.253 -7.351 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.703 4.885 -6.274 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.147 2.799 -5.170 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.085 5.603 -5.360 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.655 3.507 -4.258 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.766 4.907 -4.345 1.00 0.00 C ATOM 0 H TRP A 26 -1.691 1.358 -9.754 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.412 0.761 -7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.130 1.728 -8.210 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.853 1.349 -6.521 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.793 4.196 -8.756 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.577 6.209 -7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.223 1.725 -5.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.167 6.677 -5.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.189 2.973 -3.486 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.373 5.446 -3.633 1.00 0.00 H new ATOM 439 N VAL A 27 -2.800 -1.378 -8.156 1.00 0.00 N ATOM 440 CA VAL A 27 -3.277 -2.734 -7.821 1.00 0.00 C ATOM 441 C VAL A 27 -2.190 -3.784 -8.054 1.00 0.00 C ATOM 442 O VAL A 27 -2.068 -4.704 -7.255 1.00 0.00 O ATOM 443 CB VAL A 27 -4.592 -3.167 -8.507 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.708 -2.149 -8.247 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.447 -3.459 -10.009 1.00 0.00 C ATOM 0 H VAL A 27 -3.278 -0.938 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.513 -2.672 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.866 -4.117 -8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.622 -2.478 -8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.884 -2.068 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.412 -1.177 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.413 -3.756 -10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.097 -2.563 -10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.728 -4.265 -10.155 1.00 0.00 H new ATOM 455 N CYS A 28 -1.342 -3.618 -9.078 1.00 0.00 N ATOM 456 CA CYS A 28 -0.251 -4.559 -9.352 1.00 0.00 C ATOM 457 C CYS A 28 0.872 -4.460 -8.311 1.00 0.00 C ATOM 458 O CYS A 28 1.320 -5.481 -7.796 1.00 0.00 O ATOM 459 CB CYS A 28 0.248 -4.330 -10.778 1.00 0.00 C ATOM 460 SG CYS A 28 1.128 -5.749 -11.481 1.00 0.00 S ATOM 0 H CYS A 28 -1.392 -2.837 -9.732 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.626 -5.579 -9.271 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.602 -4.089 -11.416 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.909 -3.463 -10.787 1.00 0.00 H new ATOM 0 HG CYS A 28 1.513 -5.466 -12.690 1.00 0.00 H new ATOM 465 N LEU A 29 1.245 -3.237 -7.910 1.00 0.00 N ATOM 466 CA LEU A 29 2.145 -2.963 -6.782 1.00 0.00 C ATOM 467 C LEU A 29 1.624 -3.639 -5.510 1.00 0.00 C ATOM 468 O LEU A 29 2.336 -4.438 -4.908 1.00 0.00 O ATOM 469 CB LEU A 29 2.298 -1.431 -6.668 1.00 0.00 C ATOM 470 CG LEU A 29 3.194 -0.878 -5.538 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.528 0.582 -5.875 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.528 -0.900 -4.151 1.00 0.00 C ATOM 0 H LEU A 29 0.920 -2.389 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 29 3.137 -3.386 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.689 -1.062 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.303 -1.003 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 29 4.074 -1.518 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.161 1.000 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.054 0.624 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.606 1.160 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.218 -0.497 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.623 -0.293 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.271 -1.926 -3.887 1.00 0.00 H new ATOM 484 N VAL A 30 0.368 -3.384 -5.140 1.00 0.00 N ATOM 485 CA VAL A 30 -0.262 -3.972 -3.944 1.00 0.00 C ATOM 486 C VAL A 30 -0.320 -5.507 -4.018 1.00 0.00 C ATOM 487 O VAL A 30 -0.027 -6.179 -3.029 1.00 0.00 O ATOM 488 CB VAL A 30 -1.665 -3.363 -3.727 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.524 -4.168 -2.747 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.538 -1.919 -3.212 1.00 0.00 C ATOM 0 H VAL A 30 -0.249 -2.761 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 30 0.359 -3.726 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.164 -3.385 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.497 -3.689 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.659 -5.180 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.028 -4.209 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.532 -1.498 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.996 -1.916 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.996 -1.319 -3.943 1.00 0.00 H new ATOM 500 N GLU A 31 -0.634 -6.070 -5.190 1.00 0.00 N ATOM 501 CA GLU A 31 -0.661 -7.523 -5.404 1.00 0.00 C ATOM 502 C GLU A 31 0.720 -8.193 -5.270 1.00 0.00 C ATOM 503 O GLU A 31 0.785 -9.381 -4.959 1.00 0.00 O ATOM 504 CB GLU A 31 -1.254 -7.846 -6.787 1.00 0.00 C ATOM 505 CG GLU A 31 -2.787 -7.751 -6.805 1.00 0.00 C ATOM 506 CD GLU A 31 -3.394 -7.826 -8.212 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.706 -8.187 -9.191 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.618 -7.592 -8.341 1.00 0.00 O ATOM 0 H GLU A 31 -0.878 -5.530 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.290 -7.932 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.842 -7.158 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.952 -8.851 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.199 -8.557 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.089 -6.814 -6.338 1.00 0.00 H new ATOM 515 N HIS A 32 1.818 -7.451 -5.435 1.00 0.00 N ATOM 516 CA HIS A 32 3.189 -7.949 -5.261 1.00 0.00 C ATOM 517 C HIS A 32 3.844 -7.552 -3.918 1.00 0.00 C ATOM 518 O HIS A 32 4.847 -8.158 -3.530 1.00 0.00 O ATOM 519 CB HIS A 32 4.016 -7.509 -6.476 1.00 0.00 C ATOM 520 CG HIS A 32 3.746 -8.355 -7.694 1.00 0.00 C ATOM 521 ND1 HIS A 32 4.021 -9.721 -7.805 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.192 -7.923 -8.862 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.617 -10.074 -9.036 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.110 -9.016 -9.694 1.00 0.00 N ATOM 0 H HIS A 32 1.780 -6.466 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 32 3.153 -9.037 -5.210 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.794 -6.467 -6.705 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.076 -7.562 -6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.877 -6.915 -9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.689 -11.072 -9.443 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.732 -9.023 -10.641 1.00 0.00 H new ATOM 532 N GLU A 33 3.269 -6.594 -3.184 1.00 0.00 N ATOM 533 CA GLU A 33 3.693 -6.225 -1.827 1.00 0.00 C ATOM 534 C GLU A 33 2.956 -7.058 -0.756 1.00 0.00 C ATOM 535 O GLU A 33 3.608 -7.749 0.027 1.00 0.00 O ATOM 536 CB GLU A 33 3.515 -4.712 -1.604 1.00 0.00 C ATOM 537 CG GLU A 33 4.512 -3.845 -2.392 1.00 0.00 C ATOM 538 CD GLU A 33 5.974 -4.060 -1.966 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.282 -3.998 -0.755 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.829 -4.266 -2.856 1.00 0.00 O ATOM 0 H GLU A 33 2.481 -6.042 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 33 4.753 -6.456 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.501 -4.430 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.622 -4.496 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.414 -4.066 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.253 -2.795 -2.260 1.00 0.00 H new ATOM 547 N SER A 34 1.616 -7.063 -0.735 1.00 0.00 N ATOM 548 CA SER A 34 0.810 -7.792 0.273 1.00 0.00 C ATOM 549 C SER A 34 -0.026 -8.940 -0.299 1.00 0.00 C ATOM 550 O SER A 34 -0.524 -9.767 0.462 1.00 0.00 O ATOM 551 CB SER A 34 -0.211 -6.864 0.957 1.00 0.00 C ATOM 552 OG SER A 34 -1.068 -6.231 0.017 1.00 0.00 O ATOM 0 H SER A 34 1.050 -6.560 -1.419 1.00 0.00 H new ATOM 0 HA SER A 34 1.561 -8.181 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.809 -7.441 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.318 -6.105 1.534 1.00 0.00 H new ATOM 0 HG SER A 34 -0.886 -5.268 0.005 1.00 0.00 H new ATOM 558 N SER A 35 -0.216 -8.981 -1.618 1.00 0.00 N ATOM 559 CA SER A 35 -1.214 -9.825 -2.300 1.00 0.00 C ATOM 560 C SER A 35 -2.655 -9.345 -2.003 1.00 0.00 C ATOM 561 O SER A 35 -3.600 -10.139 -2.026 1.00 0.00 O ATOM 562 CB SER A 35 -1.036 -11.333 -2.031 1.00 0.00 C ATOM 563 OG SER A 35 0.293 -11.777 -2.274 1.00 0.00 O ATOM 0 H SER A 35 0.332 -8.414 -2.265 1.00 0.00 H new ATOM 0 HA SER A 35 -1.035 -9.702 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.304 -11.548 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.724 -11.895 -2.662 1.00 0.00 H new ATOM 0 HG SER A 35 0.356 -12.737 -2.088 1.00 0.00 H new ATOM 569 N ARG A 36 -2.825 -8.043 -1.698 1.00 0.00 N ATOM 570 CA ARG A 36 -4.077 -7.378 -1.314 1.00 0.00 C ATOM 571 C ARG A 36 -4.562 -7.774 0.094 1.00 0.00 C ATOM 572 O ARG A 36 -5.767 -7.813 0.340 1.00 0.00 O ATOM 573 CB ARG A 36 -5.210 -7.538 -2.346 1.00 0.00 C ATOM 574 CG ARG A 36 -4.841 -7.578 -3.831 1.00 0.00 C ATOM 575 CD ARG A 36 -6.129 -7.479 -4.663 1.00 0.00 C ATOM 576 NE ARG A 36 -6.002 -8.184 -5.939 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.108 -9.488 -6.157 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.455 -10.347 -5.221 1.00 0.00 N ATOM 579 NH2 ARG A 36 -5.847 -9.932 -7.363 1.00 0.00 N ATOM 0 H ARG A 36 -2.041 -7.391 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.820 -6.319 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.745 -8.458 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.911 -6.716 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.169 -6.755 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.311 -8.502 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.961 -7.897 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.364 -6.431 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.809 -7.605 -6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.657 -10.018 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.522 -11.341 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.572 -9.280 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.919 -10.929 -7.566 1.00 0.00 H new ATOM 593 N ASP A 37 -3.649 -8.064 1.020 1.00 0.00 N ATOM 594 CA ASP A 37 -3.954 -8.542 2.381 1.00 0.00 C ATOM 595 C ASP A 37 -3.551 -7.508 3.444 1.00 0.00 C ATOM 596 O ASP A 37 -2.363 -7.215 3.609 1.00 0.00 O ATOM 597 CB ASP A 37 -3.244 -9.884 2.628 1.00 0.00 C ATOM 598 CG ASP A 37 -3.471 -10.464 4.037 1.00 0.00 C ATOM 599 OD1 ASP A 37 -4.404 -10.022 4.748 1.00 0.00 O ATOM 600 OD2 ASP A 37 -2.688 -11.364 4.426 1.00 0.00 O ATOM 0 H ASP A 37 -2.648 -7.973 0.846 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.031 -8.686 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.589 -10.607 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.174 -9.752 2.469 1.00 0.00 H new ATOM 605 N THR A 38 -4.535 -6.956 4.173 1.00 0.00 N ATOM 606 CA THR A 38 -4.257 -5.969 5.232 1.00 0.00 C ATOM 607 C THR A 38 -3.571 -6.604 6.435 1.00 0.00 C ATOM 608 O THR A 38 -2.835 -5.920 7.134 1.00 0.00 O ATOM 609 CB THR A 38 -5.492 -5.202 5.722 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.464 -6.061 6.253 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.174 -4.383 4.640 1.00 0.00 C ATOM 0 H THR A 38 -5.524 -7.174 4.051 1.00 0.00 H new ATOM 0 HA THR A 38 -3.591 -5.251 4.753 1.00 0.00 H new ATOM 0 HB THR A 38 -5.097 -4.531 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.057 -5.556 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.038 -3.870 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.473 -3.648 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.501 -5.043 3.836 1.00 0.00 H new ATOM 619 N SER A 39 -3.750 -7.903 6.675 1.00 0.00 N ATOM 620 CA SER A 39 -3.191 -8.611 7.834 1.00 0.00 C ATOM 621 C SER A 39 -1.694 -8.957 7.684 1.00 0.00 C ATOM 622 O SER A 39 -1.096 -9.537 8.593 1.00 0.00 O ATOM 623 CB SER A 39 -3.979 -9.905 8.077 1.00 0.00 C ATOM 624 OG SER A 39 -5.362 -9.680 8.329 1.00 0.00 O ATOM 0 H SER A 39 -4.297 -8.506 6.060 1.00 0.00 H new ATOM 0 HA SER A 39 -3.279 -7.930 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.876 -10.554 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.543 -10.435 8.924 1.00 0.00 H new ATOM 0 HG SER A 39 -5.812 -10.538 8.474 1.00 0.00 H new ATOM 630 N LYS A 40 -1.077 -8.640 6.539 1.00 0.00 N ATOM 631 CA LYS A 40 0.286 -9.055 6.202 1.00 0.00 C ATOM 632 C LYS A 40 1.365 -8.366 7.076 1.00 0.00 C ATOM 633 O LYS A 40 1.256 -7.176 7.399 1.00 0.00 O ATOM 634 CB LYS A 40 0.495 -8.818 4.694 1.00 0.00 C ATOM 635 CG LYS A 40 1.740 -9.519 4.119 1.00 0.00 C ATOM 636 CD LYS A 40 1.630 -11.051 4.019 1.00 0.00 C ATOM 637 CE LYS A 40 0.502 -11.483 3.067 1.00 0.00 C ATOM 638 NZ LYS A 40 0.378 -12.962 2.981 1.00 0.00 N ATOM 0 H LYS A 40 -1.519 -8.079 5.811 1.00 0.00 H new ATOM 0 HA LYS A 40 0.405 -10.115 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.387 -9.166 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.577 -7.746 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.939 -9.118 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.600 -9.270 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.577 -11.461 3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.449 -11.468 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.442 -11.060 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.692 -11.077 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.394 -13.208 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.270 -13.365 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.171 -13.348 3.924 1.00 0.00 H new ATOM 652 N THR A 41 2.409 -9.135 7.426 1.00 0.00 N ATOM 653 CA THR A 41 3.541 -8.770 8.301 1.00 0.00 C ATOM 654 C THR A 41 4.786 -9.580 7.965 1.00 0.00 C ATOM 655 O THR A 41 4.693 -10.767 7.654 1.00 0.00 O ATOM 656 CB THR A 41 3.231 -8.976 9.796 1.00 0.00 C ATOM 657 OG1 THR A 41 2.624 -10.235 10.004 1.00 0.00 O ATOM 658 CG2 THR A 41 2.333 -7.909 10.416 1.00 0.00 C ATOM 0 H THR A 41 2.492 -10.092 7.084 1.00 0.00 H new ATOM 0 HA THR A 41 3.716 -7.710 8.118 1.00 0.00 H new ATOM 0 HB THR A 41 4.200 -8.907 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.434 -10.353 10.958 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.170 -8.138 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.811 -6.934 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.375 -7.893 9.896 1.00 0.00 H new ATOM 666 N ASN A 42 5.950 -8.943 8.100 1.00 0.00 N ATOM 667 CA ASN A 42 7.275 -9.508 7.819 1.00 0.00 C ATOM 668 C ASN A 42 8.359 -8.761 8.612 1.00 0.00 C ATOM 669 O ASN A 42 8.432 -7.533 8.522 1.00 0.00 O ATOM 670 CB ASN A 42 7.599 -9.373 6.320 1.00 0.00 C ATOM 671 CG ASN A 42 6.853 -10.358 5.426 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.213 -11.525 5.317 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.819 -9.905 4.740 1.00 0.00 N ATOM 0 H ASN A 42 6.000 -7.977 8.422 1.00 0.00 H new ATOM 0 HA ASN A 42 7.261 -10.558 8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.363 -8.358 5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.671 -9.511 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.311 -10.528 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.528 -8.932 4.838 1.00 0.00 H new ATOM 680 N THR A 43 9.202 -9.472 9.372 1.00 0.00 N ATOM 681 CA THR A 43 10.294 -8.886 10.176 1.00 0.00 C ATOM 682 C THR A 43 11.517 -8.616 9.301 1.00 0.00 C ATOM 683 O THR A 43 11.892 -9.446 8.473 1.00 0.00 O ATOM 684 CB THR A 43 10.644 -9.799 11.356 1.00 0.00 C ATOM 685 OG1 THR A 43 9.459 -10.044 12.085 1.00 0.00 O ATOM 686 CG2 THR A 43 11.644 -9.158 12.321 1.00 0.00 C ATOM 0 H THR A 43 9.147 -10.488 9.450 1.00 0.00 H new ATOM 0 HA THR A 43 9.955 -7.933 10.582 1.00 0.00 H new ATOM 0 HB THR A 43 11.090 -10.707 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.658 -10.629 12.846 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.856 -9.849 13.137 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.568 -8.930 11.789 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.222 -8.238 12.725 1.00 0.00 H new ATOM 694 N ASN A 44 12.136 -7.455 9.499 1.00 0.00 N ATOM 695 CA ASN A 44 13.297 -6.965 8.749 1.00 0.00 C ATOM 696 C ASN A 44 14.620 -7.191 9.509 1.00 0.00 C ATOM 697 O ASN A 44 14.641 -7.303 10.739 1.00 0.00 O ATOM 698 CB ASN A 44 13.118 -5.462 8.475 1.00 0.00 C ATOM 699 CG ASN A 44 11.841 -5.107 7.716 1.00 0.00 C ATOM 700 OD1 ASN A 44 11.213 -4.007 8.084 1.00 0.00 O flip ATOM 701 ND2 ASN A 44 11.417 -5.786 6.789 1.00 0.00 N flip ATOM 0 H ASN A 44 11.831 -6.799 10.218 1.00 0.00 H new ATOM 0 HA ASN A 44 13.354 -7.526 7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.121 -4.929 9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.976 -5.104 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.910 -6.635 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.571 -5.502 6.294 1.00 0.00 H new ATOM 708 N ARG A 45 15.747 -7.159 8.784 1.00 0.00 N ATOM 709 CA ARG A 45 17.107 -7.301 9.346 1.00 0.00 C ATOM 710 C ARG A 45 17.489 -6.166 10.316 1.00 0.00 C ATOM 711 O ARG A 45 18.322 -6.356 11.204 1.00 0.00 O ATOM 712 CB ARG A 45 18.147 -7.385 8.215 1.00 0.00 C ATOM 713 CG ARG A 45 17.863 -8.543 7.248 1.00 0.00 C ATOM 714 CD ARG A 45 18.987 -8.700 6.217 1.00 0.00 C ATOM 715 NE ARG A 45 18.697 -9.791 5.266 1.00 0.00 N ATOM 716 CZ ARG A 45 18.934 -11.088 5.437 1.00 0.00 C ATOM 717 NH1 ARG A 45 19.475 -11.566 6.540 1.00 0.00 N ATOM 718 NH2 ARG A 45 18.622 -11.938 4.482 1.00 0.00 N ATOM 0 H ARG A 45 15.744 -7.032 7.772 1.00 0.00 H new ATOM 0 HA ARG A 45 17.102 -8.226 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.155 -6.446 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.140 -7.510 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.751 -9.470 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.918 -8.366 6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.116 -7.765 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.927 -8.903 6.730 1.00 0.00 H new ATOM 0 HE ARG A 45 18.268 -9.520 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.727 -10.934 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.641 -12.568 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.201 -11.601 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.801 -12.934 4.607 1.00 0.00 H new ATOM 732 N ASN A 46 16.846 -5.003 10.177 1.00 0.00 N ATOM 733 CA ASN A 46 17.026 -3.822 11.035 1.00 0.00 C ATOM 734 C ASN A 46 16.258 -3.892 12.378 1.00 0.00 C ATOM 735 O ASN A 46 16.379 -2.981 13.200 1.00 0.00 O ATOM 736 CB ASN A 46 16.619 -2.565 10.241 1.00 0.00 C ATOM 737 CG ASN A 46 17.453 -2.375 8.977 1.00 0.00 C ATOM 738 OD1 ASN A 46 17.097 -2.843 7.902 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.586 -1.701 9.069 1.00 0.00 N ATOM 0 H ASN A 46 16.160 -4.850 9.438 1.00 0.00 H new ATOM 0 HA ASN A 46 18.080 -3.783 11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.566 -2.636 9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.726 -1.687 10.878 1.00 0.00 H new ATOM 0 HD21 ASN A 46 19.169 -1.568 8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.878 -1.314 9.966 1.00 0.00 H new ATOM 746 N GLY A 47 15.446 -4.939 12.605 1.00 0.00 N ATOM 747 CA GLY A 47 14.604 -5.118 13.801 1.00 0.00 C ATOM 748 C GLY A 47 13.208 -4.491 13.692 1.00 0.00 C ATOM 749 O GLY A 47 12.393 -4.643 14.601 1.00 0.00 O ATOM 0 H GLY A 47 15.355 -5.708 11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.496 -6.185 13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.117 -4.686 14.660 1.00 0.00 H new ATOM 753 N SER A 48 12.917 -3.801 12.591 1.00 0.00 N ATOM 754 CA SER A 48 11.584 -3.317 12.215 1.00 0.00 C ATOM 755 C SER A 48 10.723 -4.436 11.591 1.00 0.00 C ATOM 756 O SER A 48 11.171 -5.573 11.417 1.00 0.00 O ATOM 757 CB SER A 48 11.759 -2.131 11.250 1.00 0.00 C ATOM 758 OG SER A 48 12.640 -2.448 10.176 1.00 0.00 O ATOM 0 H SER A 48 13.631 -3.552 11.906 1.00 0.00 H new ATOM 0 HA SER A 48 11.049 -2.990 13.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.787 -1.842 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.147 -1.272 11.797 1.00 0.00 H new ATOM 0 HG SER A 48 12.160 -2.976 9.504 1.00 0.00 H new ATOM 764 N LYS A 49 9.480 -4.121 11.229 1.00 0.00 N ATOM 765 CA LYS A 49 8.535 -5.038 10.578 1.00 0.00 C ATOM 766 C LYS A 49 7.697 -4.294 9.521 1.00 0.00 C ATOM 767 O LYS A 49 7.622 -3.063 9.529 1.00 0.00 O ATOM 768 CB LYS A 49 7.668 -5.693 11.677 1.00 0.00 C ATOM 769 CG LYS A 49 6.957 -7.003 11.295 1.00 0.00 C ATOM 770 CD LYS A 49 5.934 -7.451 12.351 1.00 0.00 C ATOM 771 CE LYS A 49 6.525 -7.686 13.749 1.00 0.00 C ATOM 772 NZ LYS A 49 7.383 -8.899 13.809 1.00 0.00 N ATOM 0 H LYS A 49 9.087 -3.193 11.384 1.00 0.00 H new ATOM 0 HA LYS A 49 9.066 -5.824 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.302 -5.888 12.542 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.912 -4.973 11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.452 -6.872 10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.700 -7.789 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.151 -6.696 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.459 -8.372 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.111 -6.815 14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.714 -7.783 14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.978 -8.862 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.783 -9.748 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.990 -8.937 12.965 1.00 0.00 H new ATOM 786 N ASP A 50 7.088 -5.022 8.588 1.00 0.00 N ATOM 787 CA ASP A 50 6.080 -4.499 7.659 1.00 0.00 C ATOM 788 C ASP A 50 4.676 -4.621 8.259 1.00 0.00 C ATOM 789 O ASP A 50 4.393 -5.563 8.997 1.00 0.00 O ATOM 790 CB ASP A 50 6.183 -5.183 6.271 1.00 0.00 C ATOM 791 CG ASP A 50 5.001 -6.096 5.873 1.00 0.00 C ATOM 792 OD1 ASP A 50 3.882 -5.594 5.641 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.204 -7.312 5.687 1.00 0.00 O ATOM 0 H ASP A 50 7.283 -6.014 8.451 1.00 0.00 H new ATOM 0 HA ASP A 50 6.277 -3.439 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.287 -4.407 5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.097 -5.776 6.248 1.00 0.00 H new ATOM 798 N TYR A 51 3.808 -3.676 7.902 1.00 0.00 N ATOM 799 CA TYR A 51 2.406 -3.624 8.305 1.00 0.00 C ATOM 800 C TYR A 51 1.510 -3.109 7.164 1.00 0.00 C ATOM 801 O TYR A 51 1.797 -2.091 6.523 1.00 0.00 O ATOM 802 CB TYR A 51 2.271 -2.715 9.536 1.00 0.00 C ATOM 803 CG TYR A 51 3.130 -3.098 10.724 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.432 -2.576 10.832 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.630 -3.946 11.729 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.238 -2.898 11.933 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.420 -4.248 12.856 1.00 0.00 C ATOM 808 CZ TYR A 51 4.726 -3.717 12.965 1.00 0.00 C ATOM 809 OH TYR A 51 5.489 -4.012 14.056 1.00 0.00 O ATOM 0 H TYR A 51 4.074 -2.896 7.301 1.00 0.00 H new ATOM 0 HA TYR A 51 2.077 -4.634 8.550 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.520 -1.695 9.243 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.227 -2.710 9.850 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.813 -1.923 10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.639 -4.366 11.637 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.248 -2.521 11.993 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.028 -4.884 13.636 1.00 0.00 H new ATOM 0 HH TYR A 51 4.980 -4.585 14.666 1.00 0.00 H new ATOM 819 N GLY A 52 0.389 -3.792 6.928 1.00 0.00 N ATOM 820 CA GLY A 52 -0.685 -3.325 6.049 1.00 0.00 C ATOM 821 C GLY A 52 -0.498 -3.599 4.561 1.00 0.00 C ATOM 822 O GLY A 52 0.431 -4.283 4.138 1.00 0.00 O ATOM 0 H GLY A 52 0.198 -4.701 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.618 -3.790 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.800 -2.250 6.189 1.00 0.00 H new ATOM 826 N LEU A 53 -1.410 -3.045 3.758 1.00 0.00 N ATOM 827 CA LEU A 53 -1.557 -3.366 2.331 1.00 0.00 C ATOM 828 C LEU A 53 -0.417 -2.885 1.416 1.00 0.00 C ATOM 829 O LEU A 53 -0.254 -3.402 0.310 1.00 0.00 O ATOM 830 CB LEU A 53 -2.896 -2.774 1.844 1.00 0.00 C ATOM 831 CG LEU A 53 -3.582 -3.697 0.827 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.476 -4.692 1.552 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.471 -2.927 -0.133 1.00 0.00 C ATOM 0 H LEU A 53 -2.080 -2.348 4.084 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.525 -4.453 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.556 -2.615 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.720 -1.798 1.391 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.787 -4.195 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.960 -5.344 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.874 -5.293 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.236 -4.153 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.936 -3.620 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.246 -2.405 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.871 -2.202 -0.683 1.00 0.00 H new ATOM 845 N PHE A 54 0.355 -1.906 1.890 1.00 0.00 N ATOM 846 CA PHE A 54 1.492 -1.291 1.198 1.00 0.00 C ATOM 847 C PHE A 54 2.814 -1.570 1.941 1.00 0.00 C ATOM 848 O PHE A 54 3.799 -0.866 1.729 1.00 0.00 O ATOM 849 CB PHE A 54 1.225 0.216 1.035 1.00 0.00 C ATOM 850 CG PHE A 54 -0.035 0.567 0.266 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.268 0.625 0.938 1.00 0.00 C ATOM 852 CD2 PHE A 54 0.019 0.862 -1.110 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.443 0.957 0.248 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.156 1.216 -1.799 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.389 1.260 -1.123 1.00 0.00 C ATOM 0 H PHE A 54 0.198 -1.499 2.812 1.00 0.00 H new ATOM 0 HA PHE A 54 1.599 -1.733 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.165 0.668 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.078 0.668 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.311 0.412 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.961 0.817 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.388 0.980 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.111 1.455 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.290 1.526 -1.656 1.00 0.00 H new ATOM 865 N GLN A 55 2.822 -2.564 2.837 1.00 0.00 N ATOM 866 CA GLN A 55 4.004 -3.102 3.520 1.00 0.00 C ATOM 867 C GLN A 55 4.784 -1.996 4.261 1.00 0.00 C ATOM 868 O GLN A 55 6.001 -1.845 4.139 1.00 0.00 O ATOM 869 CB GLN A 55 4.873 -3.921 2.520 1.00 0.00 C ATOM 870 CG GLN A 55 4.477 -5.394 2.372 1.00 0.00 C ATOM 871 CD GLN A 55 2.969 -5.563 2.348 1.00 0.00 C ATOM 872 OE1 GLN A 55 2.285 -5.043 1.485 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.391 -6.164 3.361 1.00 0.00 N ATOM 0 H GLN A 55 1.964 -3.037 3.119 1.00 0.00 H new ATOM 0 HA GLN A 55 3.684 -3.794 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.818 -3.446 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.914 -3.871 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.904 -5.797 1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.896 -5.970 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.959 -6.601 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.373 -6.194 3.423 1.00 0.00 H new ATOM 882 N ILE A 56 4.051 -1.160 4.995 1.00 0.00 N ATOM 883 CA ILE A 56 4.555 0.083 5.589 1.00 0.00 C ATOM 884 C ILE A 56 5.381 -0.241 6.835 1.00 0.00 C ATOM 885 O ILE A 56 4.950 -1.040 7.664 1.00 0.00 O ATOM 886 CB ILE A 56 3.382 1.052 5.889 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.401 1.104 4.687 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.944 2.441 6.180 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.321 2.188 4.721 1.00 0.00 C ATOM 0 H ILE A 56 3.066 -1.330 5.200 1.00 0.00 H new ATOM 0 HA ILE A 56 5.211 0.592 4.883 1.00 0.00 H new ATOM 0 HB ILE A 56 2.831 0.695 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.986 1.237 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.907 0.135 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.125 3.128 6.392 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.608 2.391 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.501 2.797 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.704 2.115 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.697 2.052 5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.792 3.170 4.758 1.00 0.00 H new ATOM 901 N ASN A 57 6.564 0.359 6.975 1.00 0.00 N ATOM 902 CA ASN A 57 7.490 0.024 8.058 1.00 0.00 C ATOM 903 C ASN A 57 7.454 1.043 9.201 1.00 0.00 C ATOM 904 O ASN A 57 7.450 2.259 8.984 1.00 0.00 O ATOM 905 CB ASN A 57 8.921 -0.125 7.520 1.00 0.00 C ATOM 906 CG ASN A 57 9.054 -1.222 6.470 1.00 0.00 C ATOM 907 OD1 ASN A 57 9.466 -0.980 5.342 1.00 0.00 O ATOM 908 ND2 ASN A 57 8.727 -2.454 6.816 1.00 0.00 N ATOM 0 H ASN A 57 6.906 1.086 6.346 1.00 0.00 H new ATOM 0 HA ASN A 57 7.160 -0.930 8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.241 0.823 7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.594 -0.341 8.350 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.817 -3.214 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.385 -2.645 7.758 1.00 0.00 H new ATOM 915 N ASP A 58 7.532 0.528 10.430 1.00 0.00 N ATOM 916 CA ASP A 58 7.617 1.308 11.669 1.00 0.00 C ATOM 917 C ASP A 58 8.915 2.127 11.816 1.00 0.00 C ATOM 918 O ASP A 58 9.023 2.963 12.710 1.00 0.00 O ATOM 919 CB ASP A 58 7.428 0.364 12.862 1.00 0.00 C ATOM 920 CG ASP A 58 8.645 -0.541 13.112 1.00 0.00 C ATOM 921 OD1 ASP A 58 8.773 -1.560 12.395 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.462 -0.232 14.009 1.00 0.00 O ATOM 0 H ASP A 58 7.538 -0.478 10.597 1.00 0.00 H new ATOM 0 HA ASP A 58 6.820 2.051 11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.231 0.954 13.757 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.549 -0.258 12.690 1.00 0.00 H new ATOM 927 N ARG A 59 9.887 1.906 10.922 1.00 0.00 N ATOM 928 CA ARG A 59 11.145 2.651 10.837 1.00 0.00 C ATOM 929 C ARG A 59 11.035 3.930 9.985 1.00 0.00 C ATOM 930 O ARG A 59 11.869 4.824 10.129 1.00 0.00 O ATOM 931 CB ARG A 59 12.217 1.700 10.274 1.00 0.00 C ATOM 932 CG ARG A 59 13.646 2.186 10.552 1.00 0.00 C ATOM 933 CD ARG A 59 14.681 1.137 10.133 1.00 0.00 C ATOM 934 NE ARG A 59 16.027 1.550 10.562 1.00 0.00 N ATOM 935 CZ ARG A 59 17.105 1.739 9.807 1.00 0.00 C ATOM 936 NH1 ARG A 59 17.094 1.593 8.498 1.00 0.00 N ATOM 937 NH2 ARG A 59 18.238 2.088 10.376 1.00 0.00 N ATOM 0 H ARG A 59 9.814 1.176 10.213 1.00 0.00 H new ATOM 0 HA ARG A 59 11.417 2.995 11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.083 0.710 10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.076 1.596 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.828 3.115 10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.758 2.407 11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.431 0.172 10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.660 1.007 9.051 1.00 0.00 H new ATOM 0 HE ARG A 59 16.148 1.711 11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.233 1.324 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.947 1.749 7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.284 2.211 11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.071 2.235 9.806 1.00 0.00 H new ATOM 951 N TYR A 60 10.006 4.055 9.131 1.00 0.00 N ATOM 952 CA TYR A 60 9.951 5.094 8.084 1.00 0.00 C ATOM 953 C TYR A 60 8.647 5.903 7.977 1.00 0.00 C ATOM 954 O TYR A 60 8.720 7.099 7.689 1.00 0.00 O ATOM 955 CB TYR A 60 10.211 4.418 6.725 1.00 0.00 C ATOM 956 CG TYR A 60 11.491 3.600 6.600 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.724 4.099 7.072 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.443 2.318 6.017 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.886 3.306 7.003 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.600 1.520 5.944 1.00 0.00 C ATOM 961 CZ TYR A 60 13.826 2.008 6.445 1.00 0.00 C ATOM 962 OH TYR A 60 14.946 1.234 6.399 1.00 0.00 O ATOM 0 H TYR A 60 9.191 3.442 9.145 1.00 0.00 H new ATOM 0 HA TYR A 60 10.709 5.823 8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.367 3.765 6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.226 5.192 5.958 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.777 5.094 7.488 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.510 1.944 5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.824 3.690 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.550 0.535 5.505 1.00 0.00 H new ATOM 0 HH TYR A 60 14.731 0.372 5.986 1.00 0.00 H new ATOM 972 N TRP A 61 7.473 5.301 8.221 1.00 0.00 N ATOM 973 CA TRP A 61 6.184 5.935 7.882 1.00 0.00 C ATOM 974 C TRP A 61 5.073 5.749 8.931 1.00 0.00 C ATOM 975 O TRP A 61 4.357 6.707 9.220 1.00 0.00 O ATOM 976 CB TRP A 61 5.738 5.392 6.516 1.00 0.00 C ATOM 977 CG TRP A 61 6.699 5.514 5.373 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.304 4.478 4.750 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.120 6.711 4.649 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.110 4.950 3.732 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.013 6.320 3.606 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.788 8.081 4.727 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.551 7.241 2.691 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.285 9.006 3.790 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.174 8.592 2.780 1.00 0.00 C ATOM 0 H TRP A 61 7.387 4.380 8.650 1.00 0.00 H new ATOM 0 HA TRP A 61 6.349 7.012 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.493 4.337 6.638 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.817 5.903 6.236 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.176 3.437 5.009 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.702 4.360 3.147 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.141 8.425 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.245 6.915 1.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.982 10.041 3.846 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.565 9.311 2.075 1.00 0.00 H new ATOM 996 N CYS A 62 4.946 4.562 9.537 1.00 0.00 N ATOM 997 CA CYS A 62 4.030 4.303 10.663 1.00 0.00 C ATOM 998 C CYS A 62 4.735 4.260 12.034 1.00 0.00 C ATOM 999 O CYS A 62 5.961 4.261 12.137 1.00 0.00 O ATOM 1000 CB CYS A 62 3.207 3.039 10.365 1.00 0.00 C ATOM 1001 SG CYS A 62 4.130 1.608 9.748 1.00 0.00 S ATOM 0 H CYS A 62 5.483 3.741 9.258 1.00 0.00 H new ATOM 0 HA CYS A 62 3.348 5.149 10.749 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.689 2.745 11.278 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.441 3.294 9.632 1.00 0.00 H new ATOM 0 HG CYS A 62 3.311 0.619 9.543 1.00 0.00 H new ATOM 1006 N SER A 63 3.948 4.254 13.108 1.00 0.00 N ATOM 1007 CA SER A 63 4.405 4.198 14.505 1.00 0.00 C ATOM 1008 C SER A 63 3.987 2.880 15.170 1.00 0.00 C ATOM 1009 O SER A 63 2.818 2.496 15.115 1.00 0.00 O ATOM 1010 CB SER A 63 3.806 5.372 15.288 1.00 0.00 C ATOM 1011 OG SER A 63 4.293 5.377 16.622 1.00 0.00 O ATOM 0 H SER A 63 2.932 4.289 13.031 1.00 0.00 H new ATOM 0 HA SER A 63 5.493 4.260 14.511 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.060 6.312 14.798 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.719 5.298 15.291 1.00 0.00 H new ATOM 0 HG SER A 63 3.608 5.745 17.219 1.00 0.00 H new ATOM 1017 N LYS A 64 4.934 2.185 15.805 1.00 0.00 N ATOM 1018 CA LYS A 64 4.700 0.909 16.507 1.00 0.00 C ATOM 1019 C LYS A 64 4.300 1.057 17.989 1.00 0.00 C ATOM 1020 O LYS A 64 3.955 0.064 18.638 1.00 0.00 O ATOM 1021 CB LYS A 64 5.948 0.019 16.383 1.00 0.00 C ATOM 1022 CG LYS A 64 7.228 0.717 16.873 1.00 0.00 C ATOM 1023 CD LYS A 64 8.302 -0.307 17.238 1.00 0.00 C ATOM 1024 CE LYS A 64 9.646 0.409 17.395 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.750 -0.546 17.671 1.00 0.00 N ATOM 0 H LYS A 64 5.905 2.494 15.850 1.00 0.00 H new ATOM 0 HA LYS A 64 3.842 0.447 16.019 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.795 -0.895 16.957 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.076 -0.276 15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.604 1.383 16.096 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.000 1.336 17.741 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.037 -0.816 18.165 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.371 -1.071 16.464 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.868 0.969 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.580 1.133 18.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.644 -0.024 17.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.550 -1.062 18.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.830 -1.221 16.884 1.00 0.00 H new ATOM 1039 N GLY A 65 4.394 2.273 18.537 1.00 0.00 N ATOM 1040 CA GLY A 65 4.191 2.565 19.962 1.00 0.00 C ATOM 1041 C GLY A 65 2.714 2.680 20.343 1.00 0.00 C ATOM 1042 O GLY A 65 1.837 2.177 19.644 1.00 0.00 O ATOM 0 H GLY A 65 4.619 3.103 17.989 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.654 1.779 20.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.699 3.496 20.213 1.00 0.00 H new ATOM 1046 N ALA A 66 2.434 3.348 21.464 1.00 0.00 N ATOM 1047 CA ALA A 66 1.078 3.517 22.005 1.00 0.00 C ATOM 1048 C ALA A 66 0.255 4.629 21.315 1.00 0.00 C ATOM 1049 O ALA A 66 -0.880 4.894 21.709 1.00 0.00 O ATOM 1050 CB ALA A 66 1.207 3.748 23.518 1.00 0.00 C ATOM 0 H ALA A 66 3.153 3.795 22.033 1.00 0.00 H new ATOM 0 HA ALA A 66 0.508 2.611 21.800 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.216 3.878 23.952 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.695 2.888 23.977 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.803 4.643 23.700 1.00 0.00 H new ATOM 1056 N SER A 67 0.805 5.293 20.294 1.00 0.00 N ATOM 1057 CA SER A 67 0.218 6.486 19.664 1.00 0.00 C ATOM 1058 C SER A 67 0.787 6.729 18.247 1.00 0.00 C ATOM 1059 O SER A 67 1.979 6.469 18.031 1.00 0.00 O ATOM 1060 CB SER A 67 0.496 7.701 20.567 1.00 0.00 C ATOM 1061 OG SER A 67 -0.212 8.854 20.138 1.00 0.00 O ATOM 0 H SER A 67 1.690 5.012 19.871 1.00 0.00 H new ATOM 0 HA SER A 67 -0.855 6.332 19.552 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.214 7.463 21.593 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.565 7.913 20.571 1.00 0.00 H new ATOM 0 HG SER A 67 -0.011 9.603 20.737 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.021 7.214 17.275 1.00 0.00 N ATOM 1068 CA PRO A 68 0.462 7.624 15.955 1.00 0.00 C ATOM 1069 C PRO A 68 1.346 8.877 16.054 1.00 0.00 C ATOM 1070 O PRO A 68 1.165 9.712 16.941 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.796 7.892 15.121 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.829 8.312 16.162 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.459 7.450 17.367 1.00 0.00 C ATOM 0 HA PRO A 68 1.085 6.855 15.498 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.629 8.676 14.382 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.114 7.003 14.576 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.765 9.376 16.390 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.847 8.119 15.823 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.711 7.956 18.299 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.009 6.509 17.356 1.00 0.00 H new ATOM 1081 N GLY A 69 2.301 9.021 15.125 1.00 0.00 N ATOM 1082 CA GLY A 69 3.260 10.133 15.129 1.00 0.00 C ATOM 1083 C GLY A 69 4.492 9.857 14.274 1.00 0.00 C ATOM 1084 O GLY A 69 5.470 9.290 14.754 1.00 0.00 O ATOM 0 H GLY A 69 2.430 8.370 14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.766 11.034 14.765 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.573 10.333 16.154 1.00 0.00 H new ATOM 1088 N LYS A 70 4.421 10.293 13.015 1.00 0.00 N ATOM 1089 CA LYS A 70 5.430 10.204 11.942 1.00 0.00 C ATOM 1090 C LYS A 70 5.019 11.123 10.770 1.00 0.00 C ATOM 1091 O LYS A 70 3.993 11.799 10.843 1.00 0.00 O ATOM 1092 CB LYS A 70 5.605 8.732 11.481 1.00 0.00 C ATOM 1093 CG LYS A 70 6.642 7.952 12.308 1.00 0.00 C ATOM 1094 CD LYS A 70 7.594 7.130 11.424 1.00 0.00 C ATOM 1095 CE LYS A 70 8.738 6.492 12.223 1.00 0.00 C ATOM 1096 NZ LYS A 70 8.238 5.587 13.286 1.00 0.00 N ATOM 0 H LYS A 70 3.579 10.763 12.683 1.00 0.00 H new ATOM 0 HA LYS A 70 6.395 10.542 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.643 8.223 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.904 8.720 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.222 8.650 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.126 7.286 12.999 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.029 6.347 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.011 7.774 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.385 5.933 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.348 7.276 12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.730 4.673 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.417 6.013 14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.216 5.439 13.164 1.00 0.00 H new ATOM 1110 N ASP A 71 5.762 11.102 9.659 1.00 0.00 N ATOM 1111 CA ASP A 71 5.458 11.866 8.435 1.00 0.00 C ATOM 1112 C ASP A 71 4.053 11.585 7.849 1.00 0.00 C ATOM 1113 O ASP A 71 3.485 12.444 7.176 1.00 0.00 O ATOM 1114 CB ASP A 71 6.553 11.570 7.399 1.00 0.00 C ATOM 1115 CG ASP A 71 6.441 12.473 6.167 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.877 13.645 6.222 1.00 0.00 O ATOM 1117 OD2 ASP A 71 5.911 12.030 5.125 1.00 0.00 O ATOM 0 H ASP A 71 6.611 10.543 9.579 1.00 0.00 H new ATOM 0 HA ASP A 71 5.445 12.923 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.532 11.705 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.487 10.527 7.090 1.00 0.00 H new ATOM 1122 N CYS A 72 3.473 10.415 8.155 1.00 0.00 N ATOM 1123 CA CYS A 72 2.114 10.011 7.757 1.00 0.00 C ATOM 1124 C CYS A 72 1.098 9.946 8.915 1.00 0.00 C ATOM 1125 O CYS A 72 -0.070 9.653 8.670 1.00 0.00 O ATOM 1126 CB CYS A 72 2.205 8.672 7.016 1.00 0.00 C ATOM 1127 SG CYS A 72 3.289 8.715 5.563 1.00 0.00 S ATOM 0 H CYS A 72 3.951 9.700 8.704 1.00 0.00 H new ATOM 0 HA CYS A 72 1.721 10.790 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.567 7.909 7.706 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.205 8.371 6.703 1.00 0.00 H new ATOM 0 HG CYS A 72 4.433 8.173 5.859 1.00 0.00 H new ATOM 1132 N ASN A 73 1.515 10.214 10.164 1.00 0.00 N ATOM 1133 CA ASN A 73 0.654 10.336 11.355 1.00 0.00 C ATOM 1134 C ASN A 73 -0.328 9.154 11.531 1.00 0.00 C ATOM 1135 O ASN A 73 -1.543 9.336 11.625 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.035 11.716 11.366 1.00 0.00 C ATOM 1137 CG ASN A 73 0.960 12.850 11.592 1.00 0.00 C ATOM 1138 OD1 ASN A 73 1.596 12.937 12.637 1.00 0.00 O ATOM 1139 ND2 ASN A 73 1.118 13.750 10.636 1.00 0.00 N ATOM 0 H ASN A 73 2.501 10.358 10.381 1.00 0.00 H new ATOM 0 HA ASN A 73 1.293 10.275 12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.552 11.871 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.792 11.737 12.150 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.772 14.522 10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.586 13.672 9.769 1.00 0.00 H new ATOM 1146 N VAL A 74 0.212 7.929 11.561 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.560 6.676 11.569 1.00 0.00 C ATOM 1148 C VAL A 74 0.178 5.571 12.334 1.00 0.00 C ATOM 1149 O VAL A 74 1.405 5.494 12.309 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.924 6.262 10.122 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.299 5.858 9.278 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -1.961 5.135 10.114 1.00 0.00 C ATOM 0 H VAL A 74 1.220 7.776 11.581 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.495 6.842 12.104 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.352 7.151 9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.027 5.580 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.991 6.698 9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.800 5.010 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.197 4.865 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.558 4.266 10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.867 5.471 10.618 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.577 4.729 13.042 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.067 3.641 13.882 1.00 0.00 C ATOM 1164 C LYS A 75 -0.098 2.299 13.125 1.00 0.00 C ATOM 1165 O LYS A 75 -1.097 1.970 12.490 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.911 3.615 15.171 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.170 3.025 16.379 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.930 3.198 17.707 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.099 2.224 17.933 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.411 2.752 17.470 1.00 0.00 N ATOM 0 H LYS A 75 -1.595 4.787 13.047 1.00 0.00 H new ATOM 0 HA LYS A 75 0.978 3.807 14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.226 4.631 15.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.816 3.034 14.991 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.006 1.963 16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.807 3.500 16.464 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.222 3.085 18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.314 4.217 17.755 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.889 1.290 17.413 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.165 1.989 18.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.178 2.277 17.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.455 3.776 17.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.517 2.572 16.451 1.00 0.00 H new ATOM 1184 N CYS A 76 0.976 1.508 13.206 1.00 0.00 N ATOM 1185 CA CYS A 76 1.128 0.189 12.558 1.00 0.00 C ATOM 1186 C CYS A 76 -0.073 -0.755 12.759 1.00 0.00 C ATOM 1187 O CYS A 76 -0.459 -1.465 11.836 1.00 0.00 O ATOM 1188 CB CYS A 76 2.379 -0.481 13.133 1.00 0.00 C ATOM 1189 SG CYS A 76 3.915 0.430 12.891 1.00 0.00 S ATOM 0 H CYS A 76 1.800 1.774 13.745 1.00 0.00 H new ATOM 0 HA CYS A 76 1.202 0.368 11.485 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.231 -0.635 14.202 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.485 -1.467 12.680 1.00 0.00 H new ATOM 0 HG CYS A 76 4.030 0.762 11.639 1.00 0.00 H new ATOM 1194 N SER A 77 -0.692 -0.746 13.942 1.00 0.00 N ATOM 1195 CA SER A 77 -1.849 -1.605 14.254 1.00 0.00 C ATOM 1196 C SER A 77 -3.122 -1.204 13.479 1.00 0.00 C ATOM 1197 O SER A 77 -3.882 -2.072 13.044 1.00 0.00 O ATOM 1198 CB SER A 77 -2.098 -1.587 15.769 1.00 0.00 C ATOM 1199 OG SER A 77 -3.007 -2.606 16.162 1.00 0.00 O ATOM 0 H SER A 77 -0.409 -0.144 14.715 1.00 0.00 H new ATOM 0 HA SER A 77 -1.609 -2.618 13.930 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.153 -1.719 16.295 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.492 -0.614 16.062 1.00 0.00 H new ATOM 0 HG SER A 77 -3.142 -2.568 17.132 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.331 0.092 13.204 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.445 0.580 12.382 1.00 0.00 C ATOM 1207 C ASP A 78 -4.272 0.246 10.891 1.00 0.00 C ATOM 1208 O ASP A 78 -5.228 0.352 10.128 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.627 2.092 12.590 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.164 2.418 13.989 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.398 2.339 14.194 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.349 2.762 14.875 1.00 0.00 O ATOM 0 H ASP A 78 -2.725 0.836 13.550 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.346 0.061 12.710 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.672 2.596 12.442 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.313 2.482 11.838 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.087 -0.216 10.469 1.00 0.00 N ATOM 1218 CA LEU A 79 -2.849 -0.703 9.106 1.00 0.00 C ATOM 1219 C LEU A 79 -3.319 -2.154 8.905 1.00 0.00 C ATOM 1220 O LEU A 79 -3.464 -2.588 7.763 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.360 -0.551 8.738 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.733 0.830 9.016 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.698 0.833 8.476 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.513 1.969 8.355 1.00 0.00 C ATOM 0 H LEU A 79 -2.263 -0.262 11.068 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.447 -0.088 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.792 -1.303 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.244 -0.774 7.677 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.755 0.997 10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.156 1.804 8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.277 0.056 8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.682 0.642 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.030 2.920 8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.531 1.819 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.534 1.980 8.737 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.589 -2.888 9.995 1.00 0.00 N ATOM 1237 CA LEU A 80 -3.982 -4.307 9.988 1.00 0.00 C ATOM 1238 C LEU A 80 -5.507 -4.521 10.089 1.00 0.00 C ATOM 1239 O LEU A 80 -5.961 -5.652 10.292 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.231 -5.058 11.107 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.694 -4.930 11.097 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.125 -5.764 12.255 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.055 -5.379 9.775 1.00 0.00 C ATOM 0 H LEU A 80 -3.538 -2.499 10.936 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.697 -4.719 9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.599 -4.699 12.068 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.488 -6.115 11.043 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.452 -3.873 11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.038 -5.684 12.261 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.522 -5.393 13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.411 -6.808 12.126 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.027 -5.263 9.836 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.298 -6.425 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.440 -4.768 8.959 1.00 0.00 H new ATOM 1255 N THR A 81 -6.297 -3.444 9.986 1.00 0.00 N ATOM 1256 CA THR A 81 -7.762 -3.429 10.148 1.00 0.00 C ATOM 1257 C THR A 81 -8.496 -3.789 8.848 1.00 0.00 C ATOM 1258 O THR A 81 -7.874 -4.150 7.850 1.00 0.00 O ATOM 1259 CB THR A 81 -8.167 -2.087 10.779 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.475 -2.198 11.293 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.096 -0.901 9.818 1.00 0.00 C ATOM 0 H THR A 81 -5.920 -2.519 9.779 1.00 0.00 H new ATOM 0 HA THR A 81 -8.078 -4.216 10.832 1.00 0.00 H new ATOM 0 HB THR A 81 -7.444 -1.882 11.568 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.740 -1.346 11.699 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.397 0.008 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.075 -0.789 9.453 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.765 -1.075 8.976 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.826 -3.757 8.869 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.706 -4.208 7.774 1.00 0.00 C ATOM 1271 C ASP A 82 -10.988 -3.150 6.689 1.00 0.00 C ATOM 1272 O ASP A 82 -11.575 -3.462 5.653 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.011 -4.758 8.361 1.00 0.00 C ATOM 1274 CG ASP A 82 -12.953 -3.667 8.904 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.712 -3.170 10.030 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -13.955 -3.340 8.224 1.00 0.00 O ATOM 0 H ASP A 82 -10.347 -3.406 9.673 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.162 -4.995 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.534 -5.327 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.773 -5.453 9.166 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.533 -1.917 6.906 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.508 -0.835 5.914 1.00 0.00 C ATOM 1283 C ASP A 83 -9.055 -0.432 5.626 1.00 0.00 C ATOM 1284 O ASP A 83 -8.288 -0.082 6.525 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.350 0.365 6.385 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.604 1.412 5.278 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.793 1.523 4.325 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.624 2.133 5.383 1.00 0.00 O ATOM 0 H ASP A 83 -10.157 -1.630 7.810 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.955 -1.191 4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.308 0.003 6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.844 0.848 7.221 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.681 -0.474 4.346 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.326 -0.183 3.863 1.00 0.00 C ATOM 1295 C ILE A 84 -6.928 1.295 4.011 1.00 0.00 C ATOM 1296 O ILE A 84 -5.743 1.597 3.877 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.164 -0.658 2.394 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.895 0.276 1.412 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.669 -2.099 2.211 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.655 -0.029 -0.065 1.00 0.00 C ATOM 0 H ILE A 84 -9.327 -0.717 3.596 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.641 -0.742 4.500 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.097 -0.629 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.965 0.221 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.586 1.302 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.541 -2.400 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.100 -2.769 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.725 -2.151 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.211 0.681 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.591 0.056 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.992 -1.042 -0.287 1.00 0.00 H new ATOM 1312 N THR A 85 -7.879 2.215 4.252 1.00 0.00 N ATOM 1313 CA THR A 85 -7.679 3.680 4.190 1.00 0.00 C ATOM 1314 C THR A 85 -6.531 4.201 5.043 1.00 0.00 C ATOM 1315 O THR A 85 -5.857 5.144 4.638 1.00 0.00 O ATOM 1316 CB THR A 85 -8.983 4.423 4.493 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.787 5.794 4.238 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.465 4.270 5.935 1.00 0.00 C ATOM 0 H THR A 85 -8.834 1.957 4.502 1.00 0.00 H new ATOM 0 HA THR A 85 -7.380 3.888 3.163 1.00 0.00 H new ATOM 0 HB THR A 85 -9.748 3.983 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.362 6.322 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.393 4.825 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.638 3.216 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.708 4.660 6.615 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.262 3.580 6.191 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.152 3.969 7.069 1.00 0.00 C ATOM 1328 C LYS A 86 -3.787 3.728 6.398 1.00 0.00 C ATOM 1329 O LYS A 86 -2.854 4.516 6.570 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.281 3.200 8.397 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.638 3.354 9.112 1.00 0.00 C ATOM 1332 CD LYS A 86 -6.953 4.801 9.520 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.261 4.837 10.323 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.610 6.217 10.754 1.00 0.00 N ATOM 0 H LYS A 86 -6.806 2.792 6.541 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.206 5.039 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.107 2.141 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.493 3.535 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.429 2.989 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.645 2.724 10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.137 5.207 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.042 5.428 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.070 4.431 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.167 4.196 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.499 6.198 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.850 6.596 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.726 6.823 9.917 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.689 2.683 5.571 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.522 2.372 4.752 1.00 0.00 C ATOM 1350 C ALA A 87 -2.554 3.128 3.415 1.00 0.00 C ATOM 1351 O ALA A 87 -1.525 3.635 2.976 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.473 0.847 4.562 1.00 0.00 C ATOM 0 H ALA A 87 -4.447 2.010 5.452 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.611 2.703 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.609 0.584 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.392 0.362 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.383 0.513 4.064 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.729 3.264 2.799 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.896 3.873 1.483 1.00 0.00 C ATOM 1360 C ALA A 88 -3.649 5.390 1.476 1.00 0.00 C ATOM 1361 O ALA A 88 -2.975 5.896 0.584 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.288 3.501 0.963 1.00 0.00 C ATOM 0 H ALA A 88 -4.607 2.947 3.211 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.133 3.479 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.439 3.944 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.371 2.417 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.046 3.877 1.651 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.099 6.128 2.492 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.787 7.562 2.617 1.00 0.00 C ATOM 1370 C LYS A 89 -2.317 7.812 2.997 1.00 0.00 C ATOM 1371 O LYS A 89 -1.718 8.793 2.554 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.757 8.206 3.612 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.164 8.325 3.003 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.159 8.953 3.990 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.496 9.340 3.334 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.187 8.190 2.692 1.00 0.00 N ATOM 0 H LYS A 89 -4.682 5.760 3.244 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.919 8.031 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.799 7.610 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.393 9.194 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.119 8.930 2.098 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.518 7.337 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.349 8.251 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.709 9.840 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.152 9.774 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.316 10.112 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.207 8.386 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.807 8.047 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.031 7.331 3.258 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.700 6.884 3.737 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.253 6.881 3.984 1.00 0.00 C ATOM 1392 C CYS A 90 0.527 6.597 2.686 1.00 0.00 C ATOM 1393 O CYS A 90 1.515 7.271 2.403 1.00 0.00 O ATOM 1394 CB CYS A 90 0.046 5.882 5.110 1.00 0.00 C ATOM 1395 SG CYS A 90 1.789 5.669 5.540 1.00 0.00 S ATOM 0 H CYS A 90 -2.192 6.110 4.184 1.00 0.00 H new ATOM 0 HA CYS A 90 0.083 7.865 4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.492 6.200 6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.358 4.911 4.824 1.00 0.00 H new ATOM 0 HG CYS A 90 2.448 6.745 5.227 1.00 0.00 H new ATOM 1400 N ALA A 91 0.022 5.710 1.825 1.00 0.00 N ATOM 1401 CA ALA A 91 0.563 5.462 0.491 1.00 0.00 C ATOM 1402 C ALA A 91 0.520 6.711 -0.409 1.00 0.00 C ATOM 1403 O ALA A 91 1.522 6.996 -1.064 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.170 4.268 -0.122 1.00 0.00 C ATOM 0 H ALA A 91 -0.791 5.134 2.042 1.00 0.00 H new ATOM 0 HA ALA A 91 1.622 5.221 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.224 4.072 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.023 3.389 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.235 4.491 -0.190 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.549 7.526 -0.384 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.542 8.827 -1.079 1.00 0.00 C ATOM 1412 C LYS A 92 0.544 9.773 -0.532 1.00 0.00 C ATOM 1413 O LYS A 92 1.242 10.428 -1.303 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.912 9.526 -1.013 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.148 8.689 -1.366 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.100 7.827 -2.635 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.707 8.541 -3.941 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.649 9.623 -4.325 1.00 0.00 N ATOM 0 H LYS A 92 -1.419 7.312 0.103 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.314 8.604 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.044 9.913 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.884 10.386 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.356 8.030 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.996 9.368 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.395 7.013 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.082 7.375 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.707 8.961 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.658 7.809 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.368 10.018 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.612 9.237 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.628 10.373 -3.605 1.00 0.00 H new ATOM 1432 N LYS A 93 0.733 9.810 0.793 1.00 0.00 N ATOM 1433 CA LYS A 93 1.762 10.626 1.463 1.00 0.00 C ATOM 1434 C LYS A 93 3.205 10.151 1.175 1.00 0.00 C ATOM 1435 O LYS A 93 4.140 10.948 1.241 1.00 0.00 O ATOM 1436 CB LYS A 93 1.427 10.685 2.966 1.00 0.00 C ATOM 1437 CG LYS A 93 2.280 11.653 3.809 1.00 0.00 C ATOM 1438 CD LYS A 93 2.257 13.094 3.277 1.00 0.00 C ATOM 1439 CE LYS A 93 2.675 14.116 4.344 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.140 14.127 4.569 1.00 0.00 N ATOM 0 H LYS A 93 0.167 9.265 1.444 1.00 0.00 H new ATOM 0 HA LYS A 93 1.740 11.635 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.380 10.966 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.532 9.683 3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.918 11.646 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.310 11.296 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.926 13.173 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.254 13.332 2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.349 15.110 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.167 13.888 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.352 14.631 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.488 13.149 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.609 14.609 3.776 1.00 0.00 H new ATOM 1454 N ILE A 94 3.390 8.888 0.778 1.00 0.00 N ATOM 1455 CA ILE A 94 4.660 8.366 0.241 1.00 0.00 C ATOM 1456 C ILE A 94 4.816 8.758 -1.237 1.00 0.00 C ATOM 1457 O ILE A 94 5.869 9.257 -1.637 1.00 0.00 O ATOM 1458 CB ILE A 94 4.742 6.834 0.447 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.765 6.483 1.951 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.005 6.293 -0.246 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.519 5.001 2.265 1.00 0.00 C ATOM 0 H ILE A 94 2.652 8.185 0.820 1.00 0.00 H new ATOM 0 HA ILE A 94 5.491 8.813 0.787 1.00 0.00 H new ATOM 0 HB ILE A 94 3.859 6.371 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.731 6.773 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.009 7.079 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.065 5.214 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.958 6.515 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.887 6.766 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.553 4.847 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.540 4.707 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.289 4.395 1.788 1.00 0.00 H new ATOM 1473 N TYR A 95 3.756 8.614 -2.038 1.00 0.00 N ATOM 1474 CA TYR A 95 3.710 8.981 -3.462 1.00 0.00 C ATOM 1475 C TYR A 95 4.058 10.459 -3.737 1.00 0.00 C ATOM 1476 O TYR A 95 4.611 10.776 -4.791 1.00 0.00 O ATOM 1477 CB TYR A 95 2.347 8.538 -4.035 1.00 0.00 C ATOM 1478 CG TYR A 95 1.782 9.315 -5.212 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.191 10.579 -5.004 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.786 8.754 -6.504 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.648 11.296 -6.087 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.252 9.467 -7.592 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.683 10.744 -7.388 1.00 0.00 C ATOM 1484 OH TYR A 95 0.166 11.445 -8.437 1.00 0.00 O ATOM 0 H TYR A 95 2.874 8.225 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 95 4.501 8.449 -3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.434 7.494 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.616 8.577 -3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.155 10.998 -4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.202 7.770 -6.660 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.205 12.267 -5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.277 9.039 -8.583 1.00 0.00 H new ATOM 0 HH TYR A 95 0.270 10.925 -9.261 1.00 0.00 H new ATOM 1494 N LYS A 96 3.843 11.345 -2.757 1.00 0.00 N ATOM 1495 CA LYS A 96 4.311 12.741 -2.749 1.00 0.00 C ATOM 1496 C LYS A 96 5.837 12.903 -2.938 1.00 0.00 C ATOM 1497 O LYS A 96 6.279 13.939 -3.443 1.00 0.00 O ATOM 1498 CB LYS A 96 3.897 13.369 -1.405 1.00 0.00 C ATOM 1499 CG LYS A 96 2.405 13.723 -1.286 1.00 0.00 C ATOM 1500 CD LYS A 96 2.004 14.932 -2.145 1.00 0.00 C ATOM 1501 CE LYS A 96 0.527 15.276 -1.908 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.099 16.455 -2.704 1.00 0.00 N ATOM 0 H LYS A 96 3.319 11.103 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 96 3.852 13.240 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.156 12.678 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.484 14.274 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.808 12.860 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.169 13.931 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.630 15.789 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.170 14.711 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.092 14.418 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.366 15.475 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.904 16.655 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.673 17.281 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.229 16.256 -3.717 1.00 0.00 H new ATOM 1516 N ARG A 97 6.630 11.892 -2.554 1.00 0.00 N ATOM 1517 CA ARG A 97 8.095 11.852 -2.698 1.00 0.00 C ATOM 1518 C ARG A 97 8.563 10.768 -3.679 1.00 0.00 C ATOM 1519 O ARG A 97 9.485 11.004 -4.459 1.00 0.00 O ATOM 1520 CB ARG A 97 8.756 11.658 -1.336 1.00 0.00 C ATOM 1521 CG ARG A 97 8.514 12.876 -0.431 1.00 0.00 C ATOM 1522 CD ARG A 97 9.496 12.790 0.733 1.00 0.00 C ATOM 1523 NE ARG A 97 9.175 13.721 1.831 1.00 0.00 N ATOM 1524 CZ ARG A 97 8.335 13.503 2.837 1.00 0.00 C ATOM 1525 NH1 ARG A 97 7.529 12.464 2.862 1.00 0.00 N ATOM 1526 NH2 ARG A 97 8.298 14.336 3.853 1.00 0.00 N ATOM 0 H ARG A 97 6.256 11.049 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 97 8.401 12.811 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.360 10.761 -0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.827 11.503 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.661 13.802 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.487 12.883 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.504 11.771 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.501 13.000 0.369 1.00 0.00 H new ATOM 0 HE ARG A 97 9.646 14.625 1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.536 11.794 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.897 12.328 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.914 15.149 3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.653 14.169 4.626 1.00 0.00 H new ATOM 1540 N HIS A 98 7.906 9.604 -3.678 1.00 0.00 N ATOM 1541 CA HIS A 98 8.245 8.430 -4.493 1.00 0.00 C ATOM 1542 C HIS A 98 6.968 7.700 -4.958 1.00 0.00 C ATOM 1543 O HIS A 98 6.427 6.859 -4.236 1.00 0.00 O ATOM 1544 CB HIS A 98 9.156 7.497 -3.672 1.00 0.00 C ATOM 1545 CG HIS A 98 10.478 8.099 -3.277 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.576 8.268 -4.122 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.797 8.558 -2.031 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.531 8.833 -3.362 1.00 0.00 C ATOM 1549 NE2 HIS A 98 12.093 9.019 -2.103 1.00 0.00 N ATOM 0 H HIS A 98 7.090 9.446 -3.086 1.00 0.00 H new ATOM 0 HA HIS A 98 8.778 8.748 -5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.625 7.195 -2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.342 6.592 -4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.158 8.559 -1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.516 9.101 -3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.627 9.429 -1.337 1.00 0.00 H new ATOM 1557 N ARG A 99 6.481 8.018 -6.168 1.00 0.00 N ATOM 1558 CA ARG A 99 5.178 7.561 -6.684 1.00 0.00 C ATOM 1559 C ARG A 99 4.969 6.039 -6.663 1.00 0.00 C ATOM 1560 O ARG A 99 3.892 5.583 -6.287 1.00 0.00 O ATOM 1561 CB ARG A 99 4.891 8.160 -8.053 1.00 0.00 C ATOM 1562 CG ARG A 99 5.902 7.820 -9.149 1.00 0.00 C ATOM 1563 CD ARG A 99 5.376 8.527 -10.387 1.00 0.00 C ATOM 1564 NE ARG A 99 6.214 8.265 -11.569 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.963 8.659 -12.813 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.893 9.364 -13.122 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.800 8.347 -13.778 1.00 0.00 N ATOM 0 H ARG A 99 6.988 8.609 -6.827 1.00 0.00 H new ATOM 0 HA ARG A 99 4.440 7.940 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.905 7.825 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.842 9.244 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.902 8.168 -8.888 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.970 6.743 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.356 8.199 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.335 9.600 -10.202 1.00 0.00 H new ATOM 0 HE ARG A 99 7.069 7.730 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.226 9.624 -12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.732 9.650 -14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.638 7.804 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.611 8.648 -14.734 1.00 0.00 H new ATOM 1581 N PHE A 100 6.018 5.275 -6.995 1.00 0.00 N ATOM 1582 CA PHE A 100 6.036 3.806 -6.964 1.00 0.00 C ATOM 1583 C PHE A 100 7.385 3.215 -6.501 1.00 0.00 C ATOM 1584 O PHE A 100 7.447 2.046 -6.127 1.00 0.00 O ATOM 1585 CB PHE A 100 5.708 3.254 -8.357 1.00 0.00 C ATOM 1586 CG PHE A 100 4.420 3.732 -8.992 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.189 3.449 -8.375 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.448 4.439 -10.211 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.991 3.892 -8.954 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.248 4.878 -10.794 1.00 0.00 C ATOM 1591 CZ PHE A 100 2.023 4.606 -10.163 1.00 0.00 C ATOM 0 H PHE A 100 6.905 5.674 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 100 5.284 3.508 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.531 3.507 -9.025 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.672 2.167 -8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.166 2.889 -7.452 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.391 4.643 -10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.047 3.685 -8.472 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.267 5.424 -11.726 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.101 4.948 -10.610 1.00 0.00 H new ATOM 1601 N ASP A 101 8.466 4.008 -6.504 1.00 0.00 N ATOM 1602 CA ASP A 101 9.841 3.533 -6.268 1.00 0.00 C ATOM 1603 C ASP A 101 10.144 3.191 -4.792 1.00 0.00 C ATOM 1604 O ASP A 101 11.150 2.545 -4.498 1.00 0.00 O ATOM 1605 CB ASP A 101 10.816 4.586 -6.816 1.00 0.00 C ATOM 1606 CG ASP A 101 12.272 4.088 -6.867 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.551 3.135 -7.633 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.137 4.679 -6.178 1.00 0.00 O ATOM 0 H ASP A 101 8.411 5.012 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 101 9.964 2.587 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.502 4.877 -7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.765 5.479 -6.194 1.00 0.00 H new ATOM 1613 N ALA A 102 9.251 3.566 -3.867 1.00 0.00 N ATOM 1614 CA ALA A 102 9.304 3.162 -2.458 1.00 0.00 C ATOM 1615 C ALA A 102 8.946 1.674 -2.226 1.00 0.00 C ATOM 1616 O ALA A 102 9.109 1.175 -1.110 1.00 0.00 O ATOM 1617 CB ALA A 102 8.392 4.098 -1.655 1.00 0.00 C ATOM 0 H ALA A 102 8.457 4.170 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 102 10.335 3.252 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.416 3.815 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.740 5.125 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.371 4.020 -2.028 1.00 0.00 H new ATOM 1623 N TRP A 103 8.491 0.966 -3.268 1.00 0.00 N ATOM 1624 CA TRP A 103 8.049 -0.431 -3.218 1.00 0.00 C ATOM 1625 C TRP A 103 8.793 -1.302 -4.238 1.00 0.00 C ATOM 1626 O TRP A 103 8.860 -0.990 -5.429 1.00 0.00 O ATOM 1627 CB TRP A 103 6.534 -0.465 -3.451 1.00 0.00 C ATOM 1628 CG TRP A 103 5.726 0.239 -2.405 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.371 -0.291 -1.217 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.169 1.593 -2.413 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.614 0.616 -0.511 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.419 1.784 -1.213 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.211 2.679 -3.312 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.697 2.959 -0.951 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.502 3.868 -3.059 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.728 4.002 -1.893 1.00 0.00 C ATOM 0 H TRP A 103 8.419 1.367 -4.203 1.00 0.00 H new ATOM 0 HA TRP A 103 8.281 -0.849 -2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.319 -0.016 -4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.211 -1.505 -3.502 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.640 -1.278 -0.872 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.241 0.443 0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.800 2.596 -4.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.126 3.060 -0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.553 4.683 -3.766 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.159 4.904 -1.721 1.00 0.00 H new ATOM 1647 N TYR A 104 9.365 -2.411 -3.762 1.00 0.00 N ATOM 1648 CA TYR A 104 10.270 -3.246 -4.554 1.00 0.00 C ATOM 1649 C TYR A 104 9.547 -4.167 -5.550 1.00 0.00 C ATOM 1650 O TYR A 104 10.047 -4.391 -6.654 1.00 0.00 O ATOM 1651 CB TYR A 104 11.174 -4.047 -3.608 1.00 0.00 C ATOM 1652 CG TYR A 104 12.445 -4.509 -4.285 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.565 -3.656 -4.299 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.499 -5.755 -4.938 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.746 -4.051 -4.954 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.674 -6.153 -5.604 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.803 -5.300 -5.615 1.00 0.00 C ATOM 1658 OH TYR A 104 15.941 -5.667 -6.266 1.00 0.00 O ATOM 0 H TYR A 104 9.213 -2.755 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 104 10.874 -2.580 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.428 -3.433 -2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.628 -4.913 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.518 -2.696 -3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.638 -6.407 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.608 -3.401 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.714 -7.108 -6.106 1.00 0.00 H new ATOM 0 HH TYR A 104 15.817 -6.553 -6.667 1.00 0.00 H new ATOM 1668 N GLY A 105 8.344 -4.647 -5.211 1.00 0.00 N ATOM 1669 CA GLY A 105 7.523 -5.500 -6.076 1.00 0.00 C ATOM 1670 C GLY A 105 7.069 -4.784 -7.345 1.00 0.00 C ATOM 1671 O GLY A 105 6.947 -5.421 -8.389 1.00 0.00 O ATOM 0 H GLY A 105 7.907 -4.449 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.091 -6.389 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.648 -5.839 -5.521 1.00 0.00 H new ATOM 1675 N TRP A 106 6.905 -3.457 -7.294 1.00 0.00 N ATOM 1676 CA TRP A 106 6.626 -2.651 -8.481 1.00 0.00 C ATOM 1677 C TRP A 106 7.790 -2.680 -9.486 1.00 0.00 C ATOM 1678 O TRP A 106 7.611 -3.096 -10.631 1.00 0.00 O ATOM 1679 CB TRP A 106 6.241 -1.227 -8.076 1.00 0.00 C ATOM 1680 CG TRP A 106 6.079 -0.311 -9.246 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.977 -0.191 -10.019 1.00 0.00 C ATOM 1682 CD2 TRP A 106 7.073 0.588 -9.824 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.226 0.704 -11.043 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.510 1.208 -10.978 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.392 0.949 -9.473 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.231 2.124 -11.759 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.128 1.858 -10.251 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.552 2.445 -11.393 1.00 0.00 C ATOM 0 H TRP A 106 6.962 -2.916 -6.431 1.00 0.00 H new ATOM 0 HA TRP A 106 5.774 -3.092 -8.999 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.309 -1.255 -7.512 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.005 -0.825 -7.410 1.00 0.00 H new ATOM 0 HD1 TRP A 106 4.045 -0.714 -9.861 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.545 0.960 -11.758 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.843 0.519 -8.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.779 2.577 -12.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.141 2.108 -9.971 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.123 3.142 -11.989 1.00 0.00 H new ATOM 1699 N LYS A 107 9.002 -2.312 -9.060 1.00 0.00 N ATOM 1700 CA LYS A 107 10.180 -2.308 -9.943 1.00 0.00 C ATOM 1701 C LYS A 107 10.660 -3.719 -10.344 1.00 0.00 C ATOM 1702 O LYS A 107 11.341 -3.860 -11.362 1.00 0.00 O ATOM 1703 CB LYS A 107 11.305 -1.436 -9.349 1.00 0.00 C ATOM 1704 CG LYS A 107 11.745 -1.843 -7.934 1.00 0.00 C ATOM 1705 CD LYS A 107 12.868 -0.960 -7.365 1.00 0.00 C ATOM 1706 CE LYS A 107 14.179 -0.972 -8.172 1.00 0.00 C ATOM 1707 NZ LYS A 107 14.845 -2.302 -8.174 1.00 0.00 N ATOM 0 H LYS A 107 9.197 -2.011 -8.105 1.00 0.00 H new ATOM 0 HA LYS A 107 9.869 -1.852 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.170 -1.479 -10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.971 -0.399 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.884 -1.798 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.081 -2.880 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.506 0.066 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.083 -1.284 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.970 -0.674 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.862 -0.230 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.848 -2.187 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.769 -2.730 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.384 -2.920 -8.872 1.00 0.00 H new ATOM 1721 N ASN A 108 10.273 -4.765 -9.602 1.00 0.00 N ATOM 1722 CA ASN A 108 10.660 -6.155 -9.875 1.00 0.00 C ATOM 1723 C ASN A 108 9.641 -6.940 -10.734 1.00 0.00 C ATOM 1724 O ASN A 108 10.058 -7.800 -11.509 1.00 0.00 O ATOM 1725 CB ASN A 108 10.957 -6.854 -8.539 1.00 0.00 C ATOM 1726 CG ASN A 108 11.725 -8.160 -8.726 1.00 0.00 C ATOM 1727 OD1 ASN A 108 11.192 -9.251 -8.577 1.00 0.00 O ATOM 1728 ND2 ASN A 108 13.006 -8.089 -9.046 1.00 0.00 N ATOM 0 H ASN A 108 9.673 -4.668 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 108 11.559 -6.136 -10.491 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.534 -6.184 -7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.019 -7.057 -8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.549 -8.944 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.451 -7.180 -9.170 1.00 0.00 H new ATOM 1735 N HIS A 109 8.339 -6.607 -10.696 1.00 0.00 N ATOM 1736 CA HIS A 109 7.279 -7.366 -11.398 1.00 0.00 C ATOM 1737 C HIS A 109 6.297 -6.537 -12.262 1.00 0.00 C ATOM 1738 O HIS A 109 5.578 -7.114 -13.080 1.00 0.00 O ATOM 1739 CB HIS A 109 6.470 -8.163 -10.362 1.00 0.00 C ATOM 1740 CG HIS A 109 7.267 -9.127 -9.527 1.00 0.00 C ATOM 1741 ND1 HIS A 109 7.806 -10.334 -9.978 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.526 -8.992 -8.195 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.384 -10.892 -8.902 1.00 0.00 C ATOM 1744 NE2 HIS A 109 8.231 -10.112 -7.816 1.00 0.00 N ATOM 0 H HIS A 109 7.987 -5.802 -10.177 1.00 0.00 H new ATOM 0 HA HIS A 109 7.812 -8.001 -12.106 1.00 0.00 H new ATOM 0 HB2 HIS A 109 5.970 -7.459 -9.697 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.690 -8.718 -10.883 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.235 -8.167 -7.561 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.902 -11.840 -8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.576 -10.315 -6.878 1.00 0.00 H new ATOM 1752 N CYS A 110 6.252 -5.206 -12.110 1.00 0.00 N ATOM 1753 CA CYS A 110 5.214 -4.336 -12.709 1.00 0.00 C ATOM 1754 C CYS A 110 5.744 -3.361 -13.776 1.00 0.00 C ATOM 1755 O CYS A 110 4.986 -2.548 -14.305 1.00 0.00 O ATOM 1756 CB CYS A 110 4.523 -3.554 -11.583 1.00 0.00 C ATOM 1757 SG CYS A 110 3.961 -4.539 -10.171 1.00 0.00 S ATOM 0 H CYS A 110 6.941 -4.691 -11.562 1.00 0.00 H new ATOM 0 HA CYS A 110 4.515 -4.989 -13.232 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.212 -2.792 -11.219 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.663 -3.032 -12.003 1.00 0.00 H new ATOM 0 HG CYS A 110 2.723 -4.892 -10.353 1.00 0.00 H new ATOM 1762 N GLN A 111 7.044 -3.410 -14.079 1.00 0.00 N ATOM 1763 CA GLN A 111 7.726 -2.435 -14.940 1.00 0.00 C ATOM 1764 C GLN A 111 7.440 -2.625 -16.444 1.00 0.00 C ATOM 1765 O GLN A 111 7.383 -1.638 -17.180 1.00 0.00 O ATOM 1766 CB GLN A 111 9.238 -2.426 -14.626 1.00 0.00 C ATOM 1767 CG GLN A 111 10.068 -3.614 -15.156 1.00 0.00 C ATOM 1768 CD GLN A 111 9.634 -4.975 -14.610 1.00 0.00 C ATOM 1769 OE1 GLN A 111 8.808 -5.674 -15.179 1.00 0.00 O ATOM 1770 NE2 GLN A 111 10.119 -5.386 -13.462 1.00 0.00 N ATOM 0 H GLN A 111 7.664 -4.140 -13.728 1.00 0.00 H new ATOM 0 HA GLN A 111 7.312 -1.454 -14.707 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.663 -1.508 -15.031 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.359 -2.383 -13.544 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.001 -3.633 -16.244 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.116 -3.452 -14.904 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.809 -4.820 -12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 111 9.806 -6.271 -13.064 1.00 0.00 H new ATOM 1779 N GLY A 112 7.245 -3.871 -16.902 1.00 0.00 N ATOM 1780 CA GLY A 112 7.023 -4.214 -18.317 1.00 0.00 C ATOM 1781 C GLY A 112 5.561 -4.478 -18.692 1.00 0.00 C ATOM 1782 O GLY A 112 5.190 -4.297 -19.852 1.00 0.00 O ATOM 0 H GLY A 112 7.237 -4.685 -16.288 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.401 -3.401 -18.937 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.611 -5.100 -18.558 1.00 0.00 H new ATOM 1786 N SER A 113 4.729 -4.879 -17.729 1.00 0.00 N ATOM 1787 CA SER A 113 3.345 -5.337 -17.938 1.00 0.00 C ATOM 1788 C SER A 113 2.480 -5.097 -16.688 1.00 0.00 C ATOM 1789 O SER A 113 2.928 -5.338 -15.563 1.00 0.00 O ATOM 1790 CB SER A 113 3.314 -6.843 -18.263 1.00 0.00 C ATOM 1791 OG SER A 113 3.930 -7.151 -19.509 1.00 0.00 O ATOM 0 H SER A 113 5.005 -4.896 -16.747 1.00 0.00 H new ATOM 0 HA SER A 113 2.943 -4.763 -18.773 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.818 -7.392 -17.468 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.279 -7.185 -18.280 1.00 0.00 H new ATOM 0 HG SER A 113 3.885 -8.117 -19.666 1.00 0.00 H new ATOM 1797 N LEU A 114 1.236 -4.640 -16.884 1.00 0.00 N ATOM 1798 CA LEU A 114 0.247 -4.379 -15.833 1.00 0.00 C ATOM 1799 C LEU A 114 -1.096 -5.098 -16.108 1.00 0.00 C ATOM 1800 O LEU A 114 -1.439 -5.302 -17.278 1.00 0.00 O ATOM 1801 CB LEU A 114 0.037 -2.858 -15.759 1.00 0.00 C ATOM 1802 CG LEU A 114 1.254 -2.061 -15.250 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.966 -0.573 -15.453 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.540 -2.352 -13.771 1.00 0.00 C ATOM 0 H LEU A 114 0.878 -4.434 -17.817 1.00 0.00 H new ATOM 0 HA LEU A 114 0.617 -4.768 -14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.229 -2.494 -16.751 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.812 -2.654 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 114 2.140 -2.359 -15.811 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.814 0.013 -15.100 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.804 -0.375 -16.513 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.074 -0.295 -14.892 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.405 -1.773 -13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.673 -2.076 -13.171 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.746 -3.415 -13.643 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.880 -5.437 -15.064 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.156 -6.134 -15.186 1.00 0.00 C ATOM 1818 C PRO A 115 -4.241 -5.246 -15.800 1.00 0.00 C ATOM 1819 O PRO A 115 -4.191 -4.021 -15.704 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.537 -6.545 -13.761 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.887 -5.468 -12.898 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.593 -5.193 -13.659 1.00 0.00 C ATOM 0 HA PRO A 115 -3.066 -6.992 -15.852 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.618 -6.570 -13.625 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.161 -7.538 -13.515 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.511 -4.578 -12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.698 -5.817 -11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.262 -4.166 -13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.791 -5.843 -13.308 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.248 -5.884 -16.398 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.477 -5.231 -16.857 1.00 0.00 C ATOM 1832 C ASP A 116 -7.440 -4.947 -15.688 1.00 0.00 C ATOM 1833 O ASP A 116 -7.592 -5.743 -14.757 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.141 -6.101 -17.938 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.471 -5.531 -18.467 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.621 -4.286 -18.559 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.369 -6.340 -18.793 1.00 0.00 O ATOM 0 H ASP A 116 -5.233 -6.887 -16.581 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.222 -4.263 -17.289 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.449 -6.218 -18.772 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.320 -7.096 -17.531 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.113 -3.799 -15.777 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.102 -3.281 -14.814 1.00 0.00 C ATOM 1844 C ILE A 117 -10.388 -2.775 -15.491 1.00 0.00 C ATOM 1845 O ILE A 117 -11.292 -2.295 -14.815 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.474 -2.149 -13.969 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -8.072 -0.967 -14.883 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.295 -2.670 -13.121 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.722 0.290 -14.103 1.00 0.00 C ATOM 0 H ILE A 117 -7.979 -3.166 -16.565 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.386 -4.115 -14.172 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.217 -1.781 -13.262 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.217 -1.260 -15.493 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.892 -0.748 -15.567 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.875 -1.850 -12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.649 -3.450 -12.447 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.527 -3.079 -13.778 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.448 1.085 -14.797 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.583 0.604 -13.513 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.883 0.084 -13.438 1.00 0.00 H new ATOM 1861 N SER A 118 -10.484 -2.830 -16.819 1.00 0.00 N ATOM 1862 CA SER A 118 -11.598 -2.237 -17.584 1.00 0.00 C ATOM 1863 C SER A 118 -12.970 -2.907 -17.349 1.00 0.00 C ATOM 1864 O SER A 118 -14.010 -2.328 -17.672 1.00 0.00 O ATOM 1865 CB SER A 118 -11.251 -2.187 -19.084 1.00 0.00 C ATOM 1866 OG SER A 118 -11.030 -3.471 -19.650 1.00 0.00 O ATOM 0 H SER A 118 -9.788 -3.290 -17.406 1.00 0.00 H new ATOM 0 HA SER A 118 -11.714 -1.223 -17.201 1.00 0.00 H new ATOM 0 HB2 SER A 118 -12.061 -1.695 -19.622 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.359 -1.577 -19.224 1.00 0.00 H new ATOM 0 HG SER A 118 -10.185 -3.836 -19.313 1.00 0.00 H new ATOM 1872 N SER A 119 -13.003 -4.090 -16.727 1.00 0.00 N ATOM 1873 CA SER A 119 -14.225 -4.759 -16.254 1.00 0.00 C ATOM 1874 C SER A 119 -14.725 -4.250 -14.883 1.00 0.00 C ATOM 1875 O SER A 119 -15.817 -4.634 -14.451 1.00 0.00 O ATOM 1876 CB SER A 119 -13.974 -6.274 -16.172 1.00 0.00 C ATOM 1877 OG SER A 119 -13.616 -6.822 -17.437 1.00 0.00 O ATOM 0 H SER A 119 -12.157 -4.626 -16.532 1.00 0.00 H new ATOM 0 HA SER A 119 -15.007 -4.524 -16.976 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.179 -6.472 -15.453 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.871 -6.771 -15.802 1.00 0.00 H new ATOM 0 HG SER A 119 -13.463 -7.786 -17.345 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.949 -3.403 -14.188 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.235 -2.887 -12.844 1.00 0.00 C ATOM 1885 C CYS A 120 -14.977 -1.535 -12.887 1.00 0.00 C ATOM 1886 O CYS A 120 -16.045 -1.424 -12.244 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.915 -2.775 -12.063 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.884 -4.266 -12.029 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.464 -0.567 -13.496 1.00 0.00 O ATOM 0 H CYS A 120 -13.071 -3.046 -14.564 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.902 -3.584 -12.336 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.330 -1.962 -12.492 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.146 -2.493 -11.036 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.560 -5.249 -11.512 1.00 0.00 H new