USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1081 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 77 HIS : no HD1:sc= -2.73 X(o=-1.2,f=-1.1) USER MOD Set 1.2: B 155 THR OG1 : rot 17:sc= 1.56 USER MOD Set 1.3: B 159 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 66 SER OG : rot -12:sc= 0.656 USER MOD Set 2.2: A 71 CYS SG : rot 150:sc= -1.38 USER MOD Set 3.1: A 30 THR OG1 : rot -110:sc= -2.07! USER MOD Set 3.2: A 44 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0) USER MOD Set 3.3: A 45 SER OG : rot -14:sc= 1.94 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 165:sc= -0.334 (180deg=-0.939) USER MOD Set 4.2: A 92 SER OG : rot -175:sc= -0.8 USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= -0.0217 (180deg=-0.189) USER MOD Single : A 5 THR OG1 : rot -49:sc= 0.471 USER MOD Single : A 7 ASN : amide:sc= -0.807 K(o=-0.81,f=-2.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00624 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -107:sc= 0.126 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 131:sc= 1.26 (180deg=0.35) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-6!) USER MOD Single : A 18 THR OG1 : rot -170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= -0.928 (180deg=-0.94) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.404 K(o=-0.4,f=-4.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -169:sc= -4.44! (180deg=-5.05!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 68 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.5!) USER MOD Single : A 70 THR OG1 : rot 50:sc= 1.21 USER MOD Single : A 75 HIS : no HE2:sc= -0.594 K(o=-0.59,f=-3.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.489 K(o=-0.49,f=-4.5!) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0858) USER MOD Single : A 85 GLN : amide:sc= 0.489 K(o=0.49,f=-1.3) USER MOD Single : A 86 SER OG : rot -99:sc= 1.31 USER MOD Single : A 98 CYS SG : rot -159:sc= 0.892 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -3.71! K(o=-3.7!,f=-1.5) USER MOD Single : A 112 THR OG1 : rot -6:sc= 1.19 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 152:sc= 1.24 (180deg=0.898) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 SER OG : rot 180:sc= -0.0206 USER MOD Single : B 160 GLN : amide:sc= -0.692 X(o=-0.69,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 112.055 13.476 -26.495 1.00 0.00 N ATOM 2 CA GLY A -3 112.512 12.656 -25.393 1.00 0.00 C ATOM 3 C GLY A -3 112.215 13.324 -24.090 1.00 0.00 C ATOM 4 O GLY A -3 112.009 14.543 -24.045 1.00 0.00 O ATOM 0 H1 GLY A -3 111.205 13.049 -26.916 1.00 0.00 H new ATOM 0 H2 GLY A -3 111.827 14.429 -26.147 1.00 0.00 H new ATOM 0 H3 GLY A -3 112.804 13.539 -27.214 1.00 0.00 H new ATOM 0 HA2 GLY A -3 112.024 11.682 -25.429 1.00 0.00 H new ATOM 0 HA3 GLY A -3 113.584 12.479 -25.483 1.00 0.00 H new ATOM 10 N ALA A -2 112.175 12.549 -23.044 1.00 0.00 N ATOM 11 CA ALA A -2 111.912 13.023 -21.710 1.00 0.00 C ATOM 12 C ALA A -2 112.334 11.941 -20.748 1.00 0.00 C ATOM 13 O ALA A -2 112.450 10.776 -21.161 1.00 0.00 O ATOM 14 CB ALA A -2 110.436 13.347 -21.534 1.00 0.00 C ATOM 0 H ALA A -2 112.328 11.542 -23.094 1.00 0.00 H new ATOM 0 HA ALA A -2 112.470 13.940 -21.520 1.00 0.00 H new ATOM 0 HB1 ALA A -2 110.260 13.703 -20.519 1.00 0.00 H new ATOM 0 HB2 ALA A -2 110.146 14.120 -22.245 1.00 0.00 H new ATOM 0 HB3 ALA A -2 109.843 12.450 -21.711 1.00 0.00 H new ATOM 20 N MET A -1 112.564 12.307 -19.495 1.00 0.00 N ATOM 21 CA MET A -1 113.019 11.374 -18.452 1.00 0.00 C ATOM 22 C MET A -1 114.420 10.829 -18.758 1.00 0.00 C ATOM 23 O MET A -1 115.138 11.368 -19.618 1.00 0.00 O ATOM 24 CB MET A -1 112.010 10.227 -18.205 1.00 0.00 C ATOM 25 CG MET A -1 110.712 10.656 -17.551 1.00 0.00 C ATOM 26 SD MET A -1 109.628 9.259 -17.195 1.00 0.00 S ATOM 27 CE MET A -1 108.269 10.097 -16.374 1.00 0.00 C ATOM 0 H MET A -1 112.442 13.264 -19.163 1.00 0.00 H new ATOM 0 HA MET A -1 113.078 11.946 -17.526 1.00 0.00 H new ATOM 0 HB2 MET A -1 111.781 9.751 -19.159 1.00 0.00 H new ATOM 0 HB3 MET A -1 112.485 9.472 -17.578 1.00 0.00 H new ATOM 0 HG2 MET A -1 110.933 11.186 -16.625 1.00 0.00 H new ATOM 0 HG3 MET A -1 110.193 11.358 -18.204 1.00 0.00 H new ATOM 0 HE1 MET A -1 107.511 9.368 -16.089 1.00 0.00 H new ATOM 0 HE2 MET A -1 108.639 10.603 -15.482 1.00 0.00 H new ATOM 0 HE3 MET A -1 107.831 10.830 -17.052 1.00 0.00 H new ATOM 37 N GLY A 0 114.827 9.806 -18.038 1.00 0.00 N ATOM 38 CA GLY A 0 116.147 9.243 -18.223 1.00 0.00 C ATOM 39 C GLY A 0 117.083 9.710 -17.139 1.00 0.00 C ATOM 40 O GLY A 0 118.268 9.409 -17.144 1.00 0.00 O ATOM 0 H GLY A 0 114.265 9.348 -17.321 1.00 0.00 H new ATOM 0 HA2 GLY A 0 116.088 8.155 -18.215 1.00 0.00 H new ATOM 0 HA3 GLY A 0 116.538 9.534 -19.198 1.00 0.00 H new ATOM 44 N LYS A 1 116.532 10.452 -16.217 1.00 0.00 N ATOM 45 CA LYS A 1 117.263 11.000 -15.097 1.00 0.00 C ATOM 46 C LYS A 1 116.895 10.198 -13.867 1.00 0.00 C ATOM 47 O LYS A 1 115.852 9.534 -13.857 1.00 0.00 O ATOM 48 CB LYS A 1 116.866 12.485 -14.845 1.00 0.00 C ATOM 49 CG LYS A 1 117.243 13.499 -15.929 1.00 0.00 C ATOM 50 CD LYS A 1 116.427 13.329 -17.201 1.00 0.00 C ATOM 51 CE LYS A 1 116.710 14.416 -18.217 1.00 0.00 C ATOM 52 NZ LYS A 1 116.296 15.762 -17.747 1.00 0.00 N ATOM 0 H LYS A 1 115.543 10.700 -16.220 1.00 0.00 H new ATOM 0 HA LYS A 1 118.331 10.953 -15.309 1.00 0.00 H new ATOM 0 HB2 LYS A 1 115.786 12.527 -14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 1 117.324 12.804 -13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 1 117.100 14.508 -15.542 1.00 0.00 H new ATOM 0 HG3 LYS A 1 118.302 13.395 -16.165 1.00 0.00 H new ATOM 0 HD2 LYS A 1 116.645 12.357 -17.643 1.00 0.00 H new ATOM 0 HD3 LYS A 1 115.366 13.335 -16.952 1.00 0.00 H new ATOM 0 HE2 LYS A 1 117.776 14.427 -18.444 1.00 0.00 H new ATOM 0 HE3 LYS A 1 116.189 14.184 -19.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 116.288 16.423 -18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 115.343 15.708 -17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 116.966 16.100 -17.027 1.00 0.00 H new ATOM 66 N PRO A 2 117.730 10.206 -12.828 1.00 0.00 N ATOM 67 CA PRO A 2 117.379 9.563 -11.585 1.00 0.00 C ATOM 68 C PRO A 2 116.262 10.336 -10.931 1.00 0.00 C ATOM 69 O PRO A 2 116.358 11.556 -10.714 1.00 0.00 O ATOM 70 CB PRO A 2 118.638 9.597 -10.753 1.00 0.00 C ATOM 71 CG PRO A 2 119.482 10.672 -11.340 1.00 0.00 C ATOM 72 CD PRO A 2 119.063 10.836 -12.779 1.00 0.00 C ATOM 0 HA PRO A 2 117.028 8.539 -11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 2 118.410 9.805 -9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 2 119.152 8.636 -10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 2 119.351 11.606 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 2 120.538 10.410 -11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 2 119.020 11.887 -13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 2 119.762 10.348 -13.458 1.00 0.00 H new ATOM 80 N PHE A 3 115.221 9.654 -10.653 1.00 0.00 N ATOM 81 CA PHE A 3 114.021 10.265 -10.215 1.00 0.00 C ATOM 82 C PHE A 3 113.833 10.199 -8.709 1.00 0.00 C ATOM 83 O PHE A 3 114.045 9.152 -8.069 1.00 0.00 O ATOM 84 CB PHE A 3 112.825 9.711 -10.985 1.00 0.00 C ATOM 85 CG PHE A 3 112.614 8.240 -10.875 1.00 0.00 C ATOM 86 CD1 PHE A 3 113.254 7.357 -11.721 1.00 0.00 C ATOM 87 CD2 PHE A 3 111.765 7.749 -9.930 1.00 0.00 C ATOM 88 CE1 PHE A 3 113.040 5.997 -11.609 1.00 0.00 C ATOM 89 CE2 PHE A 3 111.542 6.411 -9.806 1.00 0.00 C ATOM 90 CZ PHE A 3 112.178 5.523 -10.645 1.00 0.00 C ATOM 0 H PHE A 3 115.173 8.638 -10.723 1.00 0.00 H new ATOM 0 HA PHE A 3 114.097 11.329 -10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 3 111.925 10.216 -10.635 1.00 0.00 H new ATOM 0 HB3 PHE A 3 112.944 9.965 -12.038 1.00 0.00 H new ATOM 0 HD1 PHE A 3 113.928 7.733 -12.477 1.00 0.00 H new ATOM 0 HD2 PHE A 3 111.259 8.434 -9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 3 113.545 5.310 -12.272 1.00 0.00 H new ATOM 0 HE2 PHE A 3 110.865 6.046 -9.048 1.00 0.00 H new ATOM 0 HZ PHE A 3 112.002 4.462 -10.548 1.00 0.00 H new ATOM 100 N PHE A 4 113.534 11.338 -8.163 1.00 0.00 N ATOM 101 CA PHE A 4 113.274 11.530 -6.762 1.00 0.00 C ATOM 102 C PHE A 4 112.261 12.647 -6.573 1.00 0.00 C ATOM 103 O PHE A 4 112.328 13.679 -7.263 1.00 0.00 O ATOM 104 CB PHE A 4 114.570 11.888 -6.007 1.00 0.00 C ATOM 105 CG PHE A 4 114.338 12.667 -4.729 1.00 0.00 C ATOM 106 CD1 PHE A 4 114.039 12.033 -3.549 1.00 0.00 C ATOM 107 CD2 PHE A 4 114.356 14.061 -4.753 1.00 0.00 C ATOM 108 CE1 PHE A 4 113.773 12.764 -2.415 1.00 0.00 C ATOM 109 CE2 PHE A 4 114.081 14.790 -3.631 1.00 0.00 C ATOM 110 CZ PHE A 4 113.791 14.145 -2.454 1.00 0.00 C ATOM 0 H PHE A 4 113.460 12.200 -8.703 1.00 0.00 H new ATOM 0 HA PHE A 4 112.877 10.598 -6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 4 115.106 10.969 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 4 115.214 12.472 -6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 4 114.012 10.954 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 4 114.591 14.573 -5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 4 113.549 12.256 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 4 114.092 15.869 -3.670 1.00 0.00 H new ATOM 0 HZ PHE A 4 113.578 14.715 -1.562 1.00 0.00 H new ATOM 120 N THR A 5 111.332 12.413 -5.697 1.00 0.00 N ATOM 121 CA THR A 5 110.407 13.408 -5.188 1.00 0.00 C ATOM 122 C THR A 5 109.478 12.769 -4.125 1.00 0.00 C ATOM 123 O THR A 5 108.294 13.121 -4.016 1.00 0.00 O ATOM 124 CB THR A 5 109.595 14.113 -6.332 1.00 0.00 C ATOM 125 OG1 THR A 5 108.789 15.188 -5.809 1.00 0.00 O ATOM 126 CG2 THR A 5 108.714 13.135 -7.103 1.00 0.00 C ATOM 0 H THR A 5 111.183 11.488 -5.294 1.00 0.00 H new ATOM 0 HA THR A 5 110.989 14.196 -4.710 1.00 0.00 H new ATOM 0 HB THR A 5 110.329 14.521 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 5 108.283 14.869 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 5 108.173 13.670 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 5 109.337 12.364 -7.557 1.00 0.00 H new ATOM 0 HG23 THR A 5 108.002 12.671 -6.421 1.00 0.00 H new ATOM 134 N ARG A 6 110.053 11.781 -3.360 1.00 0.00 N ATOM 135 CA ARG A 6 109.401 11.034 -2.214 1.00 0.00 C ATOM 136 C ARG A 6 108.036 10.485 -2.566 1.00 0.00 C ATOM 137 O ARG A 6 107.120 10.358 -1.757 1.00 0.00 O ATOM 138 CB ARG A 6 109.361 11.872 -0.975 1.00 0.00 C ATOM 139 CG ARG A 6 108.409 13.018 -1.014 1.00 0.00 C ATOM 140 CD ARG A 6 108.636 13.869 0.148 1.00 0.00 C ATOM 141 NE ARG A 6 108.357 13.183 1.426 1.00 0.00 N ATOM 142 CZ ARG A 6 108.938 13.455 2.613 1.00 0.00 C ATOM 143 NH1 ARG A 6 109.845 14.424 2.719 1.00 0.00 N ATOM 144 NH2 ARG A 6 108.594 12.748 3.693 1.00 0.00 N ATOM 0 H ARG A 6 111.010 11.470 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 6 110.028 10.166 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 6 109.100 11.233 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 6 110.362 12.259 -0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 6 108.547 13.590 -1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 6 107.382 12.653 -1.018 1.00 0.00 H new ATOM 0 HD2 ARG A 6 109.670 14.212 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 6 108.006 14.755 0.072 1.00 0.00 H new ATOM 0 HE ARG A 6 107.662 12.436 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 6 110.107 14.969 1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 6 110.278 14.621 3.621 1.00 0.00 H new ATOM 0 HH21 ARG A 6 107.896 12.008 3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 6 109.029 12.948 4.594 1.00 0.00 H new ATOM 158 N ASN A 7 107.913 10.246 -3.756 1.00 0.00 N ATOM 159 CA ASN A 7 106.746 9.613 -4.319 1.00 0.00 C ATOM 160 C ASN A 7 106.931 8.115 -4.494 1.00 0.00 C ATOM 161 O ASN A 7 107.731 7.656 -5.297 1.00 0.00 O ATOM 162 CB ASN A 7 106.381 10.230 -5.664 1.00 0.00 C ATOM 163 CG ASN A 7 105.288 11.262 -5.583 1.00 0.00 C ATOM 164 OD1 ASN A 7 104.112 10.929 -5.713 1.00 0.00 O ATOM 165 ND2 ASN A 7 105.643 12.498 -5.371 1.00 0.00 N ATOM 0 H ASN A 7 108.627 10.476 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 7 105.937 9.779 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 7 107.270 10.689 -6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 7 106.070 9.437 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 7 104.934 13.229 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 7 106.630 12.735 -5.268 1.00 0.00 H new ATOM 172 N PRO A 8 106.148 7.302 -3.766 1.00 0.00 N ATOM 173 CA PRO A 8 106.153 5.844 -3.971 1.00 0.00 C ATOM 174 C PRO A 8 105.694 5.568 -5.345 1.00 0.00 C ATOM 175 O PRO A 8 106.070 4.630 -6.013 1.00 0.00 O ATOM 176 CB PRO A 8 105.002 5.385 -3.149 1.00 0.00 C ATOM 177 CG PRO A 8 104.648 6.432 -2.187 1.00 0.00 C ATOM 178 CD PRO A 8 105.212 7.712 -2.685 1.00 0.00 C ATOM 0 HA PRO A 8 107.126 5.402 -3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 8 104.149 5.160 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 8 105.259 4.465 -2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 8 103.565 6.506 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 8 105.047 6.196 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 8 104.431 8.371 -3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 8 105.730 8.254 -1.894 1.00 0.00 H new ATOM 186 N SER A 9 104.823 6.409 -5.681 1.00 0.00 N ATOM 187 CA SER A 9 104.108 6.436 -6.819 1.00 0.00 C ATOM 188 C SER A 9 105.018 6.681 -8.068 1.00 0.00 C ATOM 189 O SER A 9 104.691 6.231 -9.175 1.00 0.00 O ATOM 190 CB SER A 9 103.160 7.543 -6.584 1.00 0.00 C ATOM 191 OG SER A 9 102.417 7.312 -5.398 1.00 0.00 O ATOM 0 H SER A 9 104.581 7.187 -5.067 1.00 0.00 H new ATOM 0 HA SER A 9 103.607 5.494 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 103.703 8.485 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 102.483 7.637 -7.433 1.00 0.00 H new ATOM 0 HG SER A 9 101.793 8.054 -5.253 1.00 0.00 H new ATOM 197 N GLU A 10 106.166 7.388 -7.873 1.00 0.00 N ATOM 198 CA GLU A 10 107.107 7.616 -8.966 1.00 0.00 C ATOM 199 C GLU A 10 107.940 6.365 -9.113 1.00 0.00 C ATOM 200 O GLU A 10 108.353 5.994 -10.216 1.00 0.00 O ATOM 201 CB GLU A 10 108.026 8.845 -8.705 1.00 0.00 C ATOM 202 CG GLU A 10 109.106 8.637 -7.643 1.00 0.00 C ATOM 203 CD GLU A 10 109.832 9.884 -7.289 1.00 0.00 C ATOM 204 OE1 GLU A 10 110.432 10.512 -8.199 1.00 0.00 O ATOM 205 OE2 GLU A 10 109.823 10.262 -6.084 1.00 0.00 O ATOM 0 H GLU A 10 106.444 7.796 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 10 106.552 7.833 -9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 10 108.509 9.123 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 107.403 9.688 -8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 10 108.647 8.225 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 10 109.822 7.898 -8.003 1.00 0.00 H new ATOM 212 N LEU A 11 108.179 5.716 -7.975 1.00 0.00 N ATOM 213 CA LEU A 11 108.886 4.477 -7.933 1.00 0.00 C ATOM 214 C LEU A 11 108.157 3.436 -8.717 1.00 0.00 C ATOM 215 O LEU A 11 106.943 3.219 -8.577 1.00 0.00 O ATOM 216 CB LEU A 11 109.161 4.070 -6.506 1.00 0.00 C ATOM 217 CG LEU A 11 110.162 4.970 -5.794 1.00 0.00 C ATOM 218 CD1 LEU A 11 110.199 4.661 -4.321 1.00 0.00 C ATOM 219 CD2 LEU A 11 111.547 4.785 -6.411 1.00 0.00 C ATOM 0 H LEU A 11 107.878 6.053 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 11 109.860 4.597 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 11 108.224 4.073 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 11 109.535 3.046 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 11 109.852 6.008 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 11 110.920 5.315 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 11 109.211 4.823 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 11 110.493 3.622 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 11 112.262 5.430 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 11 111.856 3.745 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 11 111.512 5.048 -7.468 1.00 0.00 H new ATOM 231 N LYS A 12 108.901 2.829 -9.573 1.00 0.00 N ATOM 232 CA LYS A 12 108.373 1.955 -10.564 1.00 0.00 C ATOM 233 C LYS A 12 108.127 0.550 -10.055 1.00 0.00 C ATOM 234 O LYS A 12 108.274 0.260 -8.870 1.00 0.00 O ATOM 235 CB LYS A 12 109.278 1.927 -11.767 1.00 0.00 C ATOM 236 CG LYS A 12 110.628 1.352 -11.467 1.00 0.00 C ATOM 237 CD LYS A 12 111.395 1.043 -12.738 1.00 0.00 C ATOM 238 CE LYS A 12 110.723 0.004 -13.652 1.00 0.00 C ATOM 239 NZ LYS A 12 110.839 -1.386 -13.157 1.00 0.00 N ATOM 0 H LYS A 12 109.916 2.927 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 12 107.399 2.355 -10.845 1.00 0.00 H new ATOM 0 HB2 LYS A 12 108.807 1.342 -12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 12 109.397 2.941 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 12 111.197 2.055 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 12 110.514 0.441 -10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 12 111.531 1.968 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 12 112.388 0.684 -12.470 1.00 0.00 H new ATOM 0 HE2 LYS A 12 109.668 0.255 -13.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 111.168 0.065 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 109.904 -1.841 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 111.496 -1.917 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 111.198 -1.378 -12.181 1.00 0.00 H new ATOM 253 N GLY A 13 107.795 -0.307 -10.983 1.00 0.00 N ATOM 254 CA GLY A 13 107.417 -1.639 -10.682 1.00 0.00 C ATOM 255 C GLY A 13 106.004 -1.694 -10.163 1.00 0.00 C ATOM 256 O GLY A 13 105.099 -1.036 -10.690 1.00 0.00 O ATOM 0 H GLY A 13 107.783 -0.085 -11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 13 107.504 -2.257 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 13 108.098 -2.055 -9.939 1.00 0.00 H new ATOM 260 N LYS A 14 105.836 -2.434 -9.138 1.00 0.00 N ATOM 261 CA LYS A 14 104.568 -2.633 -8.486 1.00 0.00 C ATOM 262 C LYS A 14 104.623 -2.049 -7.106 1.00 0.00 C ATOM 263 O LYS A 14 105.585 -2.204 -6.411 1.00 0.00 O ATOM 264 CB LYS A 14 104.204 -4.124 -8.413 1.00 0.00 C ATOM 265 CG LYS A 14 105.328 -5.010 -7.889 1.00 0.00 C ATOM 266 CD LYS A 14 106.083 -5.710 -9.013 1.00 0.00 C ATOM 267 CE LYS A 14 105.260 -6.817 -9.642 1.00 0.00 C ATOM 268 NZ LYS A 14 105.917 -7.383 -10.836 1.00 0.00 N ATOM 0 H LYS A 14 106.600 -2.947 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 14 103.796 -2.131 -9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 14 103.331 -4.244 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 14 103.918 -4.467 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 14 106.024 -4.405 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 14 104.914 -5.757 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 14 106.355 -4.981 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 14 107.012 -6.125 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 14 105.095 -7.607 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 14 104.280 -6.428 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 105.322 -8.136 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 106.051 -6.635 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 106.842 -7.777 -10.569 1.00 0.00 H new ATOM 282 N PHE A 15 103.595 -1.427 -6.725 1.00 0.00 N ATOM 283 CA PHE A 15 103.512 -0.776 -5.474 1.00 0.00 C ATOM 284 C PHE A 15 102.558 -1.581 -4.631 1.00 0.00 C ATOM 285 O PHE A 15 101.378 -1.733 -4.976 1.00 0.00 O ATOM 286 CB PHE A 15 103.030 0.654 -5.707 1.00 0.00 C ATOM 287 CG PHE A 15 102.916 1.537 -4.487 1.00 0.00 C ATOM 288 CD1 PHE A 15 103.518 1.199 -3.287 1.00 0.00 C ATOM 289 CD2 PHE A 15 102.219 2.716 -4.565 1.00 0.00 C ATOM 290 CE1 PHE A 15 103.419 2.027 -2.186 1.00 0.00 C ATOM 291 CE2 PHE A 15 102.109 3.548 -3.478 1.00 0.00 C ATOM 292 CZ PHE A 15 102.709 3.207 -2.283 1.00 0.00 C ATOM 0 H PHE A 15 102.748 -1.346 -7.288 1.00 0.00 H new ATOM 0 HA PHE A 15 104.471 -0.713 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 15 103.711 1.132 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 15 102.053 0.610 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 15 104.073 0.275 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 15 101.749 2.994 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 15 103.894 1.753 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 15 101.552 4.470 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 15 102.624 3.860 -1.427 1.00 0.00 H new ATOM 302 N ILE A 16 103.080 -2.148 -3.589 1.00 0.00 N ATOM 303 CA ILE A 16 102.350 -3.029 -2.735 1.00 0.00 C ATOM 304 C ILE A 16 102.537 -2.661 -1.284 1.00 0.00 C ATOM 305 O ILE A 16 103.558 -2.085 -0.894 1.00 0.00 O ATOM 306 CB ILE A 16 102.710 -4.545 -2.939 1.00 0.00 C ATOM 307 CG1 ILE A 16 104.241 -4.839 -2.845 1.00 0.00 C ATOM 308 CG2 ILE A 16 102.126 -5.086 -4.235 1.00 0.00 C ATOM 309 CD1 ILE A 16 105.065 -4.412 -4.060 1.00 0.00 C ATOM 0 H ILE A 16 104.049 -2.007 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 16 101.305 -2.904 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 16 102.248 -5.075 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 16 104.637 -4.336 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 16 104.380 -5.909 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.394 -6.137 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 16 101.041 -4.989 -4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.524 -4.520 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 16 106.113 -4.660 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 16 104.704 -4.934 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 16 104.966 -3.337 -4.207 1.00 0.00 H new ATOM 321 N HIS A 17 101.553 -2.983 -0.511 1.00 0.00 N ATOM 322 CA HIS A 17 101.530 -2.731 0.896 1.00 0.00 C ATOM 323 C HIS A 17 101.225 -4.060 1.599 1.00 0.00 C ATOM 324 O HIS A 17 100.079 -4.540 1.613 1.00 0.00 O ATOM 325 CB HIS A 17 100.477 -1.640 1.169 1.00 0.00 C ATOM 326 CG HIS A 17 100.255 -1.244 2.602 1.00 0.00 C ATOM 327 ND1 HIS A 17 100.709 -0.066 3.153 1.00 0.00 N ATOM 328 CD2 HIS A 17 99.532 -1.850 3.574 1.00 0.00 C ATOM 329 CE1 HIS A 17 100.263 0.008 4.401 1.00 0.00 C ATOM 330 NE2 HIS A 17 99.538 -1.052 4.708 1.00 0.00 N ATOM 0 H HIS A 17 100.711 -3.446 -0.853 1.00 0.00 H new ATOM 0 HA HIS A 17 102.482 -2.363 1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 17 100.763 -0.748 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 17 99.525 -1.979 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 17 99.031 -2.802 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 17 100.466 0.826 5.076 1.00 0.00 H new ATOM 0 HE2 HIS A 17 99.077 -1.244 5.597 1.00 0.00 H new ATOM 338 N THR A 18 102.254 -4.645 2.143 1.00 0.00 N ATOM 339 CA THR A 18 102.181 -5.965 2.745 1.00 0.00 C ATOM 340 C THR A 18 102.820 -5.961 4.143 1.00 0.00 C ATOM 341 O THR A 18 103.765 -5.238 4.395 1.00 0.00 O ATOM 342 CB THR A 18 102.858 -7.043 1.823 1.00 0.00 C ATOM 343 OG1 THR A 18 102.702 -8.358 2.379 1.00 0.00 O ATOM 344 CG2 THR A 18 104.344 -6.753 1.606 1.00 0.00 C ATOM 0 H THR A 18 103.181 -4.222 2.186 1.00 0.00 H new ATOM 0 HA THR A 18 101.129 -6.229 2.852 1.00 0.00 H new ATOM 0 HB THR A 18 102.356 -6.996 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 18 103.259 -8.992 1.881 1.00 0.00 H new ATOM 0 HG21 THR A 18 104.775 -7.521 0.964 1.00 0.00 H new ATOM 0 HG22 THR A 18 104.459 -5.778 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 18 104.859 -6.753 2.567 1.00 0.00 H new ATOM 352 N LYS A 19 102.287 -6.766 5.032 1.00 0.00 N ATOM 353 CA LYS A 19 102.743 -6.825 6.414 1.00 0.00 C ATOM 354 C LYS A 19 103.992 -7.687 6.559 1.00 0.00 C ATOM 355 O LYS A 19 104.046 -8.810 6.052 1.00 0.00 O ATOM 356 CB LYS A 19 101.576 -7.333 7.317 1.00 0.00 C ATOM 357 CG LYS A 19 101.849 -7.542 8.840 1.00 0.00 C ATOM 358 CD LYS A 19 102.627 -8.834 9.156 1.00 0.00 C ATOM 359 CE LYS A 19 102.442 -9.277 10.588 1.00 0.00 C ATOM 360 NZ LYS A 19 101.019 -9.444 10.949 1.00 0.00 N ATOM 0 H LYS A 19 101.520 -7.405 4.822 1.00 0.00 H new ATOM 0 HA LYS A 19 103.027 -5.824 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.752 -6.626 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.230 -8.283 6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 19 102.409 -6.688 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 19 100.898 -7.561 9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 19 102.296 -9.628 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.687 -8.674 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 19 102.966 -10.220 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 19 102.899 -8.545 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.947 -9.982 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 100.581 -8.509 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 100.527 -9.958 10.191 1.00 0.00 H new ATOM 374 N LEU A 20 104.970 -7.179 7.287 1.00 0.00 N ATOM 375 CA LEU A 20 106.155 -7.930 7.588 1.00 0.00 C ATOM 376 C LEU A 20 106.257 -8.038 9.071 1.00 0.00 C ATOM 377 O LEU A 20 106.144 -7.038 9.801 1.00 0.00 O ATOM 378 CB LEU A 20 107.432 -7.333 6.964 1.00 0.00 C ATOM 379 CG LEU A 20 108.160 -8.238 5.944 1.00 0.00 C ATOM 380 CD1 LEU A 20 107.234 -8.757 4.863 1.00 0.00 C ATOM 381 CD2 LEU A 20 109.300 -7.494 5.315 1.00 0.00 C ATOM 0 H LEU A 20 104.957 -6.238 7.680 1.00 0.00 H new ATOM 0 HA LEU A 20 106.071 -8.920 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 20 107.171 -6.397 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 20 108.127 -7.088 7.767 1.00 0.00 H new ATOM 0 HG LEU A 20 108.535 -9.100 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 107.796 -9.387 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 20 106.435 -9.341 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 106.804 -7.917 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 109.806 -8.141 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 20 108.919 -6.611 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 20 110.005 -7.188 6.088 1.00 0.00 H new ATOM 393 N ARG A 21 106.366 -9.223 9.526 1.00 0.00 N ATOM 394 CA ARG A 21 106.434 -9.490 10.894 1.00 0.00 C ATOM 395 C ARG A 21 107.879 -9.359 11.357 1.00 0.00 C ATOM 396 O ARG A 21 108.743 -10.019 10.811 1.00 0.00 O ATOM 397 CB ARG A 21 105.991 -10.920 11.102 1.00 0.00 C ATOM 398 CG ARG A 21 105.850 -11.363 12.538 1.00 0.00 C ATOM 399 CD ARG A 21 105.841 -12.872 12.590 1.00 0.00 C ATOM 400 NE ARG A 21 104.808 -13.454 11.724 1.00 0.00 N ATOM 401 CZ ARG A 21 104.975 -14.560 10.987 1.00 0.00 C ATOM 402 NH1 ARG A 21 106.068 -15.316 11.144 1.00 0.00 N ATOM 403 NH2 ARG A 21 104.039 -14.919 10.112 1.00 0.00 N ATOM 0 H ARG A 21 106.411 -10.054 8.936 1.00 0.00 H new ATOM 0 HA ARG A 21 105.805 -8.797 11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 21 105.032 -11.059 10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 21 106.706 -11.577 10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 21 106.673 -10.971 13.135 1.00 0.00 H new ATOM 0 HG3 ARG A 21 104.929 -10.966 12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 21 106.818 -13.249 12.290 1.00 0.00 H new ATOM 0 HD3 ARG A 21 105.676 -13.197 13.617 1.00 0.00 H new ATOM 0 HE ARG A 21 103.903 -12.985 11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 21 106.778 -15.051 11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 21 106.191 -16.157 10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 21 103.198 -14.353 10.004 1.00 0.00 H new ATOM 0 HH22 ARG A 21 104.163 -15.761 9.549 1.00 0.00 H new ATOM 417 N LYS A 22 108.141 -8.454 12.283 1.00 0.00 N ATOM 418 CA LYS A 22 109.402 -8.396 12.986 1.00 0.00 C ATOM 419 C LYS A 22 109.686 -9.731 13.545 1.00 0.00 C ATOM 420 O LYS A 22 109.101 -10.100 14.566 1.00 0.00 O ATOM 421 CB LYS A 22 109.307 -7.446 14.151 1.00 0.00 C ATOM 422 CG LYS A 22 109.760 -6.059 13.873 1.00 0.00 C ATOM 423 CD LYS A 22 109.052 -5.377 12.694 1.00 0.00 C ATOM 424 CE LYS A 22 107.600 -5.025 12.981 1.00 0.00 C ATOM 425 NZ LYS A 22 107.420 -3.879 13.921 1.00 0.00 N ATOM 0 H LYS A 22 107.476 -7.734 12.568 1.00 0.00 H new ATOM 0 HA LYS A 22 110.176 -8.068 12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 22 108.271 -7.412 14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 22 109.898 -7.846 14.975 1.00 0.00 H new ATOM 0 HG2 LYS A 22 109.609 -5.456 14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 22 110.832 -6.074 13.676 1.00 0.00 H new ATOM 0 HD2 LYS A 22 109.593 -4.468 12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 22 109.094 -6.034 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 107.103 -4.790 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 22 107.101 -5.901 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 106.406 -3.682 14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 107.834 -4.119 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 107.895 -3.037 13.537 1.00 0.00 H new ATOM 439 N SER A 23 110.539 -10.445 12.883 1.00 0.00 N ATOM 440 CA SER A 23 110.843 -11.767 13.272 1.00 0.00 C ATOM 441 C SER A 23 111.898 -11.747 14.380 1.00 0.00 C ATOM 442 O SER A 23 111.564 -11.499 15.531 1.00 0.00 O ATOM 443 CB SER A 23 111.236 -12.626 12.045 1.00 0.00 C ATOM 444 OG SER A 23 111.288 -14.008 12.367 1.00 0.00 O ATOM 0 H SER A 23 111.041 -10.119 12.057 1.00 0.00 H new ATOM 0 HA SER A 23 109.958 -12.247 13.690 1.00 0.00 H new ATOM 0 HB2 SER A 23 110.516 -12.466 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 23 112.207 -12.303 11.670 1.00 0.00 H new ATOM 0 HG SER A 23 111.537 -14.521 11.570 1.00 0.00 H new ATOM 450 N SER A 24 113.154 -11.874 14.051 1.00 0.00 N ATOM 451 CA SER A 24 114.164 -11.899 15.064 1.00 0.00 C ATOM 452 C SER A 24 114.763 -10.507 15.246 1.00 0.00 C ATOM 453 O SER A 24 115.888 -10.221 14.810 1.00 0.00 O ATOM 454 CB SER A 24 115.227 -12.930 14.731 1.00 0.00 C ATOM 455 OG SER A 24 114.631 -14.198 14.444 1.00 0.00 O ATOM 0 H SER A 24 113.498 -11.961 13.095 1.00 0.00 H new ATOM 0 HA SER A 24 113.711 -12.192 16.011 1.00 0.00 H new ATOM 0 HB2 SER A 24 115.810 -12.594 13.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 115.919 -13.029 15.567 1.00 0.00 H new ATOM 0 HG SER A 24 115.332 -14.848 14.230 1.00 0.00 H new ATOM 461 N ARG A 25 113.964 -9.649 15.883 1.00 0.00 N ATOM 462 CA ARG A 25 114.311 -8.296 16.249 1.00 0.00 C ATOM 463 C ARG A 25 114.659 -7.455 15.039 1.00 0.00 C ATOM 464 O ARG A 25 115.611 -6.673 15.044 1.00 0.00 O ATOM 465 CB ARG A 25 115.433 -8.359 17.222 1.00 0.00 C ATOM 466 CG ARG A 25 115.489 -7.222 18.163 1.00 0.00 C ATOM 467 CD ARG A 25 116.362 -7.629 19.253 1.00 0.00 C ATOM 468 NE ARG A 25 116.546 -6.595 20.258 1.00 0.00 N ATOM 469 CZ ARG A 25 117.524 -6.590 21.159 1.00 0.00 C ATOM 470 NH1 ARG A 25 118.408 -7.579 21.183 1.00 0.00 N ATOM 471 NH2 ARG A 25 117.622 -5.593 22.036 1.00 0.00 N ATOM 0 H ARG A 25 113.017 -9.901 16.166 1.00 0.00 H new ATOM 0 HA ARG A 25 113.452 -7.807 16.708 1.00 0.00 H new ATOM 0 HB2 ARG A 25 115.351 -9.284 17.793 1.00 0.00 H new ATOM 0 HB3 ARG A 25 116.373 -8.406 16.672 1.00 0.00 H new ATOM 0 HG2 ARG A 25 115.874 -6.329 17.670 1.00 0.00 H new ATOM 0 HG3 ARG A 25 114.494 -6.977 18.534 1.00 0.00 H new ATOM 0 HD2 ARG A 25 115.948 -8.518 19.728 1.00 0.00 H new ATOM 0 HD3 ARG A 25 117.334 -7.908 18.846 1.00 0.00 H new ATOM 0 HE ARG A 25 115.881 -5.822 20.273 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.337 -8.343 20.511 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.158 -7.576 21.874 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.946 -4.830 22.018 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.373 -5.592 22.726 1.00 0.00 H new ATOM 485 N GLY A 26 113.904 -7.644 14.010 1.00 0.00 N ATOM 486 CA GLY A 26 114.106 -6.933 12.808 1.00 0.00 C ATOM 487 C GLY A 26 113.388 -7.601 11.707 1.00 0.00 C ATOM 488 O GLY A 26 112.257 -8.097 11.893 1.00 0.00 O ATOM 0 H GLY A 26 113.125 -8.303 13.986 1.00 0.00 H new ATOM 0 HA2 GLY A 26 113.751 -5.908 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 26 115.171 -6.880 12.581 1.00 0.00 H new ATOM 492 N PHE A 27 114.022 -7.682 10.596 1.00 0.00 N ATOM 493 CA PHE A 27 113.421 -8.207 9.434 1.00 0.00 C ATOM 494 C PHE A 27 114.204 -9.398 8.895 1.00 0.00 C ATOM 495 O PHE A 27 113.926 -10.533 9.271 1.00 0.00 O ATOM 496 CB PHE A 27 113.309 -7.098 8.409 1.00 0.00 C ATOM 497 CG PHE A 27 112.298 -6.060 8.779 1.00 0.00 C ATOM 498 CD1 PHE A 27 110.952 -6.259 8.543 1.00 0.00 C ATOM 499 CD2 PHE A 27 112.695 -4.900 9.395 1.00 0.00 C ATOM 500 CE1 PHE A 27 110.026 -5.304 8.916 1.00 0.00 C ATOM 501 CE2 PHE A 27 111.783 -3.957 9.772 1.00 0.00 C ATOM 502 CZ PHE A 27 110.449 -4.149 9.534 1.00 0.00 C ATOM 0 H PHE A 27 114.988 -7.380 10.470 1.00 0.00 H new ATOM 0 HA PHE A 27 112.424 -8.579 9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 27 114.282 -6.622 8.289 1.00 0.00 H new ATOM 0 HB3 PHE A 27 113.043 -7.529 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 27 110.621 -7.168 8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 27 113.745 -4.731 9.584 1.00 0.00 H new ATOM 0 HE1 PHE A 27 108.975 -5.463 8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 27 112.116 -3.054 10.261 1.00 0.00 H new ATOM 0 HZ PHE A 27 109.732 -3.398 9.830 1.00 0.00 H new ATOM 512 N GLY A 28 115.216 -9.159 8.130 1.00 0.00 N ATOM 513 CA GLY A 28 115.879 -10.246 7.442 1.00 0.00 C ATOM 514 C GLY A 28 116.001 -9.986 5.957 1.00 0.00 C ATOM 515 O GLY A 28 115.550 -10.771 5.122 1.00 0.00 O ATOM 0 H GLY A 28 115.609 -8.234 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 28 116.872 -10.392 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 28 115.324 -11.170 7.604 1.00 0.00 H new ATOM 519 N PHE A 29 116.551 -8.867 5.638 1.00 0.00 N ATOM 520 CA PHE A 29 116.884 -8.495 4.299 1.00 0.00 C ATOM 521 C PHE A 29 117.892 -7.384 4.367 1.00 0.00 C ATOM 522 O PHE A 29 117.852 -6.574 5.278 1.00 0.00 O ATOM 523 CB PHE A 29 115.651 -8.153 3.412 1.00 0.00 C ATOM 524 CG PHE A 29 114.677 -7.171 3.965 1.00 0.00 C ATOM 525 CD1 PHE A 29 114.881 -5.828 3.817 1.00 0.00 C ATOM 526 CD2 PHE A 29 113.541 -7.603 4.600 1.00 0.00 C ATOM 527 CE1 PHE A 29 113.967 -4.908 4.299 1.00 0.00 C ATOM 528 CE2 PHE A 29 112.621 -6.703 5.079 1.00 0.00 C ATOM 529 CZ PHE A 29 112.831 -5.350 4.929 1.00 0.00 C ATOM 0 H PHE A 29 116.793 -8.155 6.327 1.00 0.00 H new ATOM 0 HA PHE A 29 117.319 -9.356 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 29 116.014 -7.771 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 29 115.117 -9.079 3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 29 115.771 -5.479 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 29 113.368 -8.662 4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 29 114.146 -3.850 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 29 111.730 -7.057 5.575 1.00 0.00 H new ATOM 0 HZ PHE A 29 112.107 -4.642 5.305 1.00 0.00 H new ATOM 539 N THR A 30 118.819 -7.360 3.493 1.00 0.00 N ATOM 540 CA THR A 30 119.789 -6.332 3.534 1.00 0.00 C ATOM 541 C THR A 30 119.510 -5.351 2.409 1.00 0.00 C ATOM 542 O THR A 30 119.195 -5.757 1.268 1.00 0.00 O ATOM 543 CB THR A 30 121.226 -6.921 3.552 1.00 0.00 C ATOM 544 OG1 THR A 30 121.365 -7.920 2.526 1.00 0.00 O ATOM 545 CG2 THR A 30 121.498 -7.582 4.902 1.00 0.00 C ATOM 0 H THR A 30 118.931 -8.038 2.739 1.00 0.00 H new ATOM 0 HA THR A 30 119.721 -5.768 4.464 1.00 0.00 H new ATOM 0 HB THR A 30 121.932 -6.109 3.379 1.00 0.00 H new ATOM 0 HG1 THR A 30 121.441 -8.805 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 122.507 -7.993 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 30 121.403 -6.841 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 30 120.778 -8.384 5.066 1.00 0.00 H new ATOM 553 N VAL A 31 119.581 -4.082 2.713 1.00 0.00 N ATOM 554 CA VAL A 31 119.099 -3.075 1.798 1.00 0.00 C ATOM 555 C VAL A 31 120.247 -2.197 1.267 1.00 0.00 C ATOM 556 O VAL A 31 121.319 -2.181 1.845 1.00 0.00 O ATOM 557 CB VAL A 31 118.024 -2.156 2.512 1.00 0.00 C ATOM 558 CG1 VAL A 31 117.226 -2.881 3.584 1.00 0.00 C ATOM 559 CG2 VAL A 31 118.608 -0.867 3.020 1.00 0.00 C ATOM 0 H VAL A 31 119.967 -3.719 3.585 1.00 0.00 H new ATOM 0 HA VAL A 31 118.642 -3.591 0.954 1.00 0.00 H new ATOM 0 HB VAL A 31 117.310 -1.893 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 31 116.509 -2.193 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 31 116.693 -3.720 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 31 117.903 -3.251 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 31 117.827 -0.278 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 31 119.394 -1.084 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 31 119.027 -0.304 2.186 1.00 0.00 H new ATOM 569 N VAL A 32 119.981 -1.480 0.177 1.00 0.00 N ATOM 570 CA VAL A 32 120.866 -0.472 -0.374 1.00 0.00 C ATOM 571 C VAL A 32 120.155 0.855 -0.424 1.00 0.00 C ATOM 572 O VAL A 32 119.012 0.933 -0.803 1.00 0.00 O ATOM 573 CB VAL A 32 121.451 -0.795 -1.783 1.00 0.00 C ATOM 574 CG1 VAL A 32 122.599 -1.758 -1.689 1.00 0.00 C ATOM 575 CG2 VAL A 32 120.380 -1.342 -2.720 1.00 0.00 C ATOM 0 H VAL A 32 119.119 -1.592 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 32 121.722 -0.446 0.300 1.00 0.00 H new ATOM 0 HB VAL A 32 121.821 0.142 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 32 122.985 -1.963 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 32 123.389 -1.323 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 32 122.258 -2.688 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 32 120.823 -1.556 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 32 119.964 -2.258 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 119.587 -0.603 -2.837 1.00 0.00 H new ATOM 585 N GLY A 33 120.813 1.869 0.020 1.00 0.00 N ATOM 586 CA GLY A 33 120.265 3.180 -0.040 1.00 0.00 C ATOM 587 C GLY A 33 120.009 3.720 1.330 1.00 0.00 C ATOM 588 O GLY A 33 120.933 3.641 2.211 1.00 0.00 O ATOM 0 H GLY A 33 121.744 1.814 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 33 120.950 3.840 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 33 119.334 3.163 -0.607 1.00 0.00 H new ATOM 592 N GLY A 34 118.758 4.256 1.506 1.00 0.00 N ATOM 593 CA GLY A 34 118.270 4.884 2.734 1.00 0.00 C ATOM 594 C GLY A 34 119.322 5.656 3.373 1.00 0.00 C ATOM 595 O GLY A 34 119.762 5.368 4.460 1.00 0.00 O ATOM 0 H GLY A 34 118.059 4.252 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 34 117.425 5.533 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 117.907 4.118 3.420 1.00 0.00 H new ATOM 599 N ASP A 35 119.744 6.603 2.677 1.00 0.00 N ATOM 600 CA ASP A 35 120.893 7.323 3.059 1.00 0.00 C ATOM 601 C ASP A 35 120.511 8.691 3.469 1.00 0.00 C ATOM 602 O ASP A 35 121.034 9.230 4.445 1.00 0.00 O ATOM 603 CB ASP A 35 121.840 7.349 1.866 1.00 0.00 C ATOM 604 CG ASP A 35 123.242 7.713 2.215 1.00 0.00 C ATOM 605 OD1 ASP A 35 123.522 8.853 2.608 1.00 0.00 O ATOM 606 OD2 ASP A 35 124.109 6.861 2.055 1.00 0.00 O ATOM 0 H ASP A 35 119.309 6.920 1.810 1.00 0.00 H new ATOM 0 HA ASP A 35 121.388 6.852 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 35 121.837 6.368 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 35 121.463 8.060 1.131 1.00 0.00 H new ATOM 611 N GLU A 36 119.536 9.225 2.792 1.00 0.00 N ATOM 612 CA GLU A 36 119.214 10.617 2.928 1.00 0.00 C ATOM 613 C GLU A 36 117.818 10.864 2.499 1.00 0.00 C ATOM 614 O GLU A 36 117.184 9.949 2.039 1.00 0.00 O ATOM 615 CB GLU A 36 120.287 11.444 2.164 1.00 0.00 C ATOM 616 CG GLU A 36 120.694 10.850 0.852 1.00 0.00 C ATOM 617 CD GLU A 36 121.831 11.605 0.210 1.00 0.00 C ATOM 618 OE1 GLU A 36 121.625 12.734 -0.277 1.00 0.00 O ATOM 619 OE2 GLU A 36 122.974 11.118 0.220 1.00 0.00 O ATOM 0 H GLU A 36 118.946 8.714 2.136 1.00 0.00 H new ATOM 0 HA GLU A 36 119.248 10.940 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 36 119.902 12.449 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 36 121.170 11.545 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 36 120.989 9.811 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 36 119.838 10.844 0.177 1.00 0.00 H new ATOM 626 N PRO A 37 117.291 12.065 2.645 1.00 0.00 N ATOM 627 CA PRO A 37 115.919 12.385 2.224 1.00 0.00 C ATOM 628 C PRO A 37 115.779 12.148 0.746 1.00 0.00 C ATOM 629 O PRO A 37 114.724 11.741 0.239 1.00 0.00 O ATOM 630 CB PRO A 37 115.828 13.860 2.589 1.00 0.00 C ATOM 631 CG PRO A 37 116.784 13.986 3.712 1.00 0.00 C ATOM 632 CD PRO A 37 117.941 13.230 3.225 1.00 0.00 C ATOM 0 HA PRO A 37 115.133 11.787 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 37 116.103 14.501 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 37 114.817 14.140 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 37 117.035 15.027 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 37 116.384 13.567 4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 37 118.518 13.789 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 37 118.626 12.962 4.029 1.00 0.00 H new ATOM 640 N ASP A 38 116.884 12.346 0.106 1.00 0.00 N ATOM 641 CA ASP A 38 117.087 12.110 -1.277 1.00 0.00 C ATOM 642 C ASP A 38 117.060 10.612 -1.612 1.00 0.00 C ATOM 643 O ASP A 38 116.484 10.207 -2.617 1.00 0.00 O ATOM 644 CB ASP A 38 118.441 12.715 -1.652 1.00 0.00 C ATOM 645 CG ASP A 38 119.028 12.232 -2.980 1.00 0.00 C ATOM 646 OD1 ASP A 38 119.684 11.164 -3.019 1.00 0.00 O ATOM 647 OD2 ASP A 38 118.908 12.948 -3.997 1.00 0.00 O ATOM 0 H ASP A 38 117.721 12.700 0.570 1.00 0.00 H new ATOM 0 HA ASP A 38 116.280 12.571 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 38 118.337 13.799 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 119.153 12.492 -0.857 1.00 0.00 H new ATOM 652 N GLU A 39 117.636 9.799 -0.756 1.00 0.00 N ATOM 653 CA GLU A 39 117.817 8.417 -1.066 1.00 0.00 C ATOM 654 C GLU A 39 117.004 7.501 -0.152 1.00 0.00 C ATOM 655 O GLU A 39 117.252 7.430 1.073 1.00 0.00 O ATOM 656 CB GLU A 39 119.290 8.073 -0.989 1.00 0.00 C ATOM 657 CG GLU A 39 119.606 6.675 -1.425 1.00 0.00 C ATOM 658 CD GLU A 39 119.211 6.427 -2.859 1.00 0.00 C ATOM 659 OE1 GLU A 39 118.023 6.196 -3.132 1.00 0.00 O ATOM 660 OE2 GLU A 39 120.090 6.470 -3.745 1.00 0.00 O ATOM 0 H GLU A 39 117.985 10.081 0.160 1.00 0.00 H new ATOM 0 HA GLU A 39 117.450 8.252 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 39 119.850 8.773 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 39 119.633 8.211 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 39 120.674 6.491 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 39 119.087 5.968 -0.778 1.00 0.00 H new ATOM 667 N PHE A 40 116.130 6.748 -0.803 1.00 0.00 N ATOM 668 CA PHE A 40 115.161 5.798 -0.211 1.00 0.00 C ATOM 669 C PHE A 40 115.828 4.445 -0.087 1.00 0.00 C ATOM 670 O PHE A 40 116.918 4.235 -0.635 1.00 0.00 O ATOM 671 CB PHE A 40 113.925 5.633 -1.109 1.00 0.00 C ATOM 672 CG PHE A 40 113.407 6.882 -1.788 1.00 0.00 C ATOM 673 CD1 PHE A 40 113.007 7.991 -1.066 1.00 0.00 C ATOM 674 CD2 PHE A 40 113.290 6.913 -3.172 1.00 0.00 C ATOM 675 CE1 PHE A 40 112.500 9.110 -1.713 1.00 0.00 C ATOM 676 CE2 PHE A 40 112.791 8.024 -3.824 1.00 0.00 C ATOM 677 CZ PHE A 40 112.393 9.123 -3.099 1.00 0.00 C ATOM 0 H PHE A 40 116.063 6.775 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 40 114.848 6.185 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 40 114.160 4.899 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 40 113.119 5.215 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 40 113.090 7.987 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 40 113.595 6.052 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 40 112.189 9.970 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 40 112.714 8.030 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 40 111.999 9.992 -3.604 1.00 0.00 H new ATOM 687 N LEU A 41 115.236 3.536 0.673 1.00 0.00 N ATOM 688 CA LEU A 41 115.891 2.259 0.858 1.00 0.00 C ATOM 689 C LEU A 41 115.445 1.327 -0.232 1.00 0.00 C ATOM 690 O LEU A 41 114.348 1.409 -0.658 1.00 0.00 O ATOM 691 CB LEU A 41 115.602 1.612 2.210 1.00 0.00 C ATOM 692 CG LEU A 41 116.109 2.268 3.498 1.00 0.00 C ATOM 693 CD1 LEU A 41 115.381 3.578 3.816 1.00 0.00 C ATOM 694 CD2 LEU A 41 115.946 1.299 4.639 1.00 0.00 C ATOM 0 H LEU A 41 114.343 3.652 1.151 1.00 0.00 H new ATOM 0 HA LEU A 41 116.965 2.444 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 41 114.520 1.517 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 41 116.009 0.601 2.179 1.00 0.00 H new ATOM 0 HG LEU A 41 117.160 2.517 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 115.779 4.001 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 41 115.530 4.284 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 41 114.316 3.382 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.305 1.758 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.893 1.040 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 41 116.522 0.397 4.435 1.00 0.00 H new ATOM 706 N GLN A 42 116.305 0.498 -0.694 1.00 0.00 N ATOM 707 CA GLN A 42 115.997 -0.462 -1.722 1.00 0.00 C ATOM 708 C GLN A 42 116.590 -1.758 -1.220 1.00 0.00 C ATOM 709 O GLN A 42 117.310 -1.725 -0.267 1.00 0.00 O ATOM 710 CB GLN A 42 116.672 0.028 -2.995 1.00 0.00 C ATOM 711 CG GLN A 42 116.043 -0.388 -4.312 1.00 0.00 C ATOM 712 CD GLN A 42 116.396 -1.766 -4.797 1.00 0.00 C ATOM 713 OE1 GLN A 42 115.736 -2.738 -4.487 1.00 0.00 O ATOM 714 NE2 GLN A 42 117.423 -1.855 -5.575 1.00 0.00 N ATOM 0 H GLN A 42 117.271 0.456 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 42 114.936 -0.594 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 42 116.704 1.117 -2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 42 117.704 -0.322 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 42 114.959 -0.325 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.335 0.332 -5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.955 -1.018 -5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.702 -2.762 -5.949 1.00 0.00 H new ATOM 723 N ILE A 43 116.310 -2.859 -1.816 1.00 0.00 N ATOM 724 CA ILE A 43 116.761 -4.143 -1.243 1.00 0.00 C ATOM 725 C ILE A 43 117.793 -4.832 -2.120 1.00 0.00 C ATOM 726 O ILE A 43 117.526 -5.110 -3.294 1.00 0.00 O ATOM 727 CB ILE A 43 115.581 -5.121 -1.021 1.00 0.00 C ATOM 728 CG1 ILE A 43 114.467 -4.428 -0.257 1.00 0.00 C ATOM 729 CG2 ILE A 43 116.032 -6.398 -0.280 1.00 0.00 C ATOM 730 CD1 ILE A 43 114.877 -3.870 1.071 1.00 0.00 C ATOM 0 H ILE A 43 115.782 -2.933 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 43 117.214 -3.892 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 43 115.208 -5.425 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 43 114.072 -3.618 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 43 113.654 -5.137 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 43 115.177 -7.060 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 116.796 -6.909 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 43 116.442 -6.128 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 43 114.019 -3.394 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 43 115.243 -4.676 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 43 115.668 -3.134 0.928 1.00 0.00 H new ATOM 742 N LYS A 44 118.942 -5.172 -1.522 1.00 0.00 N ATOM 743 CA LYS A 44 120.034 -5.817 -2.248 1.00 0.00 C ATOM 744 C LYS A 44 120.119 -7.308 -1.990 1.00 0.00 C ATOM 745 O LYS A 44 120.735 -8.031 -2.765 1.00 0.00 O ATOM 746 CB LYS A 44 121.401 -5.100 -2.042 1.00 0.00 C ATOM 747 CG LYS A 44 121.883 -4.922 -0.569 1.00 0.00 C ATOM 748 CD LYS A 44 122.335 -6.193 0.117 1.00 0.00 C ATOM 749 CE LYS A 44 123.648 -6.706 -0.434 1.00 0.00 C ATOM 750 NZ LYS A 44 124.076 -7.950 0.240 1.00 0.00 N ATOM 0 H LYS A 44 119.136 -5.009 -0.534 1.00 0.00 H new ATOM 0 HA LYS A 44 119.787 -5.709 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 44 122.164 -5.659 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 44 121.341 -4.114 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 44 122.707 -4.208 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 44 121.072 -4.483 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 44 122.439 -6.009 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 44 121.569 -6.960 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 44 123.547 -6.888 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 44 124.417 -5.943 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 125.045 -8.188 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 124.049 -7.813 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 123.435 -8.726 -0.023 1.00 0.00 H new ATOM 764 N SER A 45 119.542 -7.779 -0.907 1.00 0.00 N ATOM 765 CA SER A 45 119.506 -9.204 -0.652 1.00 0.00 C ATOM 766 C SER A 45 118.352 -9.568 0.257 1.00 0.00 C ATOM 767 O SER A 45 118.183 -8.985 1.321 1.00 0.00 O ATOM 768 CB SER A 45 120.822 -9.693 -0.008 1.00 0.00 C ATOM 769 OG SER A 45 121.951 -9.434 -0.840 1.00 0.00 O ATOM 0 H SER A 45 119.095 -7.203 -0.194 1.00 0.00 H new ATOM 0 HA SER A 45 119.375 -9.694 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 45 120.960 -9.200 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 45 120.754 -10.763 0.189 1.00 0.00 H new ATOM 0 HG SER A 45 121.646 -9.207 -1.743 1.00 0.00 H new ATOM 775 N LEU A 46 117.566 -10.499 -0.188 1.00 0.00 N ATOM 776 CA LEU A 46 116.564 -11.110 0.588 1.00 0.00 C ATOM 777 C LEU A 46 117.235 -12.132 1.488 1.00 0.00 C ATOM 778 O LEU A 46 117.726 -13.162 1.006 1.00 0.00 O ATOM 779 CB LEU A 46 115.561 -11.778 -0.362 1.00 0.00 C ATOM 780 CG LEU A 46 114.618 -12.812 0.235 1.00 0.00 C ATOM 781 CD1 LEU A 46 113.907 -12.249 1.421 1.00 0.00 C ATOM 782 CD2 LEU A 46 113.625 -13.268 -0.807 1.00 0.00 C ATOM 0 H LEU A 46 117.617 -10.859 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 46 116.029 -10.389 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 46 114.957 -10.995 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 46 116.123 -12.257 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 46 115.203 -13.671 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 46 113.237 -13.002 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.636 -11.957 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 46 113.329 -11.376 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 112.954 -14.008 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 46 113.045 -12.413 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 46 114.158 -13.712 -1.648 1.00 0.00 H new ATOM 794 N VAL A 47 117.288 -11.846 2.760 1.00 0.00 N ATOM 795 CA VAL A 47 117.925 -12.715 3.686 1.00 0.00 C ATOM 796 C VAL A 47 116.935 -13.775 4.109 1.00 0.00 C ATOM 797 O VAL A 47 115.794 -13.480 4.494 1.00 0.00 O ATOM 798 CB VAL A 47 118.462 -11.934 4.914 1.00 0.00 C ATOM 799 CG1 VAL A 47 119.076 -12.867 5.927 1.00 0.00 C ATOM 800 CG2 VAL A 47 119.482 -10.893 4.488 1.00 0.00 C ATOM 0 H VAL A 47 116.889 -11.004 3.174 1.00 0.00 H new ATOM 0 HA VAL A 47 118.785 -13.185 3.209 1.00 0.00 H new ATOM 0 HB VAL A 47 117.614 -11.429 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 47 119.444 -12.291 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 47 118.324 -13.578 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 47 119.905 -13.407 5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 47 119.844 -10.358 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 47 120.319 -11.385 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 47 119.016 -10.188 3.800 1.00 0.00 H new ATOM 810 N LEU A 48 117.332 -14.995 3.968 1.00 0.00 N ATOM 811 CA LEU A 48 116.499 -16.094 4.332 1.00 0.00 C ATOM 812 C LEU A 48 116.306 -16.130 5.806 1.00 0.00 C ATOM 813 O LEU A 48 117.209 -15.746 6.568 1.00 0.00 O ATOM 814 CB LEU A 48 117.047 -17.378 3.781 1.00 0.00 C ATOM 815 CG LEU A 48 117.230 -17.359 2.263 1.00 0.00 C ATOM 816 CD1 LEU A 48 117.732 -18.689 1.760 1.00 0.00 C ATOM 817 CD2 LEU A 48 115.931 -16.938 1.544 1.00 0.00 C ATOM 0 H LEU A 48 118.244 -15.260 3.597 1.00 0.00 H new ATOM 0 HA LEU A 48 115.512 -15.963 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 118.007 -17.586 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 48 116.377 -18.195 4.048 1.00 0.00 H new ATOM 0 HG LEU A 48 117.987 -16.610 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 48 117.853 -18.647 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 48 118.692 -18.914 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 48 117.014 -19.469 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 48 116.096 -16.935 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 48 115.136 -17.643 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 48 115.642 -15.939 1.870 1.00 0.00 H new ATOM 829 N ASP A 49 115.098 -16.537 6.191 1.00 0.00 N ATOM 830 CA ASP A 49 114.606 -16.528 7.575 1.00 0.00 C ATOM 831 C ASP A 49 114.083 -15.129 7.940 1.00 0.00 C ATOM 832 O ASP A 49 113.641 -14.852 9.058 1.00 0.00 O ATOM 833 CB ASP A 49 115.632 -17.087 8.571 1.00 0.00 C ATOM 834 CG ASP A 49 115.086 -17.243 9.975 1.00 0.00 C ATOM 835 OD1 ASP A 49 114.240 -18.137 10.206 1.00 0.00 O ATOM 836 OD2 ASP A 49 115.518 -16.500 10.890 1.00 0.00 O ATOM 0 H ASP A 49 114.409 -16.895 5.529 1.00 0.00 H new ATOM 0 HA ASP A 49 113.762 -17.215 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 49 115.981 -18.056 8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 49 116.498 -16.426 8.598 1.00 0.00 H new ATOM 841 N GLY A 50 114.120 -14.257 6.958 1.00 0.00 N ATOM 842 CA GLY A 50 113.539 -12.954 7.069 1.00 0.00 C ATOM 843 C GLY A 50 112.076 -13.028 6.778 1.00 0.00 C ATOM 844 O GLY A 50 111.683 -13.908 6.049 1.00 0.00 O ATOM 0 H GLY A 50 114.559 -14.441 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 50 113.700 -12.558 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 50 114.024 -12.269 6.373 1.00 0.00 H new ATOM 848 N PRO A 51 111.237 -12.058 7.184 1.00 0.00 N ATOM 849 CA PRO A 51 109.816 -12.213 7.063 1.00 0.00 C ATOM 850 C PRO A 51 109.416 -12.103 5.612 1.00 0.00 C ATOM 851 O PRO A 51 108.455 -12.647 5.196 1.00 0.00 O ATOM 852 CB PRO A 51 109.233 -11.126 7.965 1.00 0.00 C ATOM 853 CG PRO A 51 110.330 -10.131 8.187 1.00 0.00 C ATOM 854 CD PRO A 51 111.578 -10.680 7.558 1.00 0.00 C ATOM 0 HA PRO A 51 109.440 -13.187 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 51 108.369 -10.654 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 51 108.893 -11.547 8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 51 110.070 -9.170 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 51 110.482 -9.961 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 51 111.871 -10.095 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 51 112.416 -10.655 8.255 1.00 0.00 H new ATOM 862 N ALA A 52 110.233 -11.413 4.861 1.00 0.00 N ATOM 863 CA ALA A 52 110.076 -11.272 3.442 1.00 0.00 C ATOM 864 C ALA A 52 110.217 -12.644 2.772 1.00 0.00 C ATOM 865 O ALA A 52 109.427 -13.026 1.911 1.00 0.00 O ATOM 866 CB ALA A 52 111.153 -10.338 2.942 1.00 0.00 C ATOM 0 H ALA A 52 111.047 -10.922 5.231 1.00 0.00 H new ATOM 0 HA ALA A 52 109.092 -10.869 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 52 111.055 -10.214 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.049 -9.369 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 52 112.133 -10.756 3.172 1.00 0.00 H new ATOM 872 N ALA A 53 111.215 -13.383 3.215 1.00 0.00 N ATOM 873 CA ALA A 53 111.509 -14.709 2.710 1.00 0.00 C ATOM 874 C ALA A 53 110.380 -15.638 3.036 1.00 0.00 C ATOM 875 O ALA A 53 109.838 -16.349 2.188 1.00 0.00 O ATOM 876 CB ALA A 53 112.782 -15.230 3.387 1.00 0.00 C ATOM 0 H ALA A 53 111.854 -13.074 3.947 1.00 0.00 H new ATOM 0 HA ALA A 53 111.644 -14.661 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 53 113.011 -16.228 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 53 113.613 -14.560 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 112.629 -15.273 4.465 1.00 0.00 H new ATOM 882 N LEU A 54 110.045 -15.580 4.258 1.00 0.00 N ATOM 883 CA LEU A 54 109.132 -16.439 4.900 1.00 0.00 C ATOM 884 C LEU A 54 107.695 -16.241 4.551 1.00 0.00 C ATOM 885 O LEU A 54 106.983 -17.188 4.207 1.00 0.00 O ATOM 886 CB LEU A 54 109.362 -16.258 6.299 1.00 0.00 C ATOM 887 CG LEU A 54 110.806 -16.507 6.656 1.00 0.00 C ATOM 888 CD1 LEU A 54 110.885 -16.420 8.024 1.00 0.00 C ATOM 889 CD2 LEU A 54 111.311 -17.863 6.181 1.00 0.00 C ATOM 0 H LEU A 54 110.430 -14.877 4.889 1.00 0.00 H new ATOM 0 HA LEU A 54 109.313 -17.459 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 54 109.084 -15.244 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 54 108.724 -16.936 6.865 1.00 0.00 H new ATOM 0 HG LEU A 54 111.438 -15.771 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.914 -16.593 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 54 110.568 -15.427 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.236 -17.171 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 54 112.356 -17.983 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.716 -18.653 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.223 -17.924 5.096 1.00 0.00 H new ATOM 901 N ASP A 55 107.272 -15.021 4.628 1.00 0.00 N ATOM 902 CA ASP A 55 105.897 -14.663 4.371 1.00 0.00 C ATOM 903 C ASP A 55 105.707 -14.582 2.888 1.00 0.00 C ATOM 904 O ASP A 55 104.596 -14.713 2.368 1.00 0.00 O ATOM 905 CB ASP A 55 105.604 -13.289 4.971 1.00 0.00 C ATOM 906 CG ASP A 55 104.153 -13.052 5.268 1.00 0.00 C ATOM 907 OD1 ASP A 55 103.401 -12.620 4.364 1.00 0.00 O ATOM 908 OD2 ASP A 55 103.736 -13.258 6.434 1.00 0.00 O ATOM 0 H ASP A 55 107.869 -14.231 4.873 1.00 0.00 H new ATOM 0 HA ASP A 55 105.231 -15.405 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 55 106.176 -13.176 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 55 105.954 -12.520 4.282 1.00 0.00 H new ATOM 913 N GLY A 56 106.822 -14.399 2.201 1.00 0.00 N ATOM 914 CA GLY A 56 106.778 -14.211 0.789 1.00 0.00 C ATOM 915 C GLY A 56 106.343 -12.799 0.458 1.00 0.00 C ATOM 916 O GLY A 56 106.299 -11.937 1.347 1.00 0.00 O ATOM 0 H GLY A 56 107.757 -14.379 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 56 107.760 -14.406 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 56 106.087 -14.926 0.342 1.00 0.00 H new ATOM 920 N LYS A 57 106.059 -12.564 -0.806 1.00 0.00 N ATOM 921 CA LYS A 57 105.534 -11.295 -1.327 1.00 0.00 C ATOM 922 C LYS A 57 106.467 -10.094 -1.033 1.00 0.00 C ATOM 923 O LYS A 57 106.010 -8.951 -0.838 1.00 0.00 O ATOM 924 CB LYS A 57 104.112 -11.041 -0.806 1.00 0.00 C ATOM 925 CG LYS A 57 103.331 -9.964 -1.575 1.00 0.00 C ATOM 926 CD LYS A 57 101.966 -9.686 -0.961 1.00 0.00 C ATOM 927 CE LYS A 57 101.074 -10.922 -0.957 1.00 0.00 C ATOM 928 NZ LYS A 57 99.755 -10.645 -0.361 1.00 0.00 N ATOM 0 H LYS A 57 106.188 -13.268 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 57 105.493 -11.389 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.552 -11.975 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.170 -10.750 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.912 -9.042 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.203 -10.282 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.095 -9.330 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 57 101.475 -8.887 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 57 100.943 -11.279 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 57 101.563 -11.721 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 99.178 -11.510 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 99.878 -10.329 0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 99.277 -9.900 -0.907 1.00 0.00 H new ATOM 942 N MET A 58 107.745 -10.360 -0.965 1.00 0.00 N ATOM 943 CA MET A 58 108.760 -9.306 -0.877 1.00 0.00 C ATOM 944 C MET A 58 110.095 -9.883 -1.311 1.00 0.00 C ATOM 945 O MET A 58 110.455 -10.987 -0.873 1.00 0.00 O ATOM 946 CB MET A 58 108.790 -8.681 0.525 1.00 0.00 C ATOM 947 CG MET A 58 109.694 -7.494 0.663 1.00 0.00 C ATOM 948 SD MET A 58 111.425 -7.906 0.859 1.00 0.00 S ATOM 949 CE MET A 58 112.038 -6.309 1.297 1.00 0.00 C ATOM 0 H MET A 58 108.126 -11.306 -0.968 1.00 0.00 H new ATOM 0 HA MET A 58 108.515 -8.485 -1.550 1.00 0.00 H new ATOM 0 HB2 MET A 58 107.777 -8.383 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 58 109.101 -9.442 1.241 1.00 0.00 H new ATOM 0 HG2 MET A 58 109.580 -6.861 -0.217 1.00 0.00 H new ATOM 0 HG3 MET A 58 109.373 -6.905 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 58 113.128 -6.318 1.270 1.00 0.00 H new ATOM 0 HE2 MET A 58 111.664 -5.569 0.590 1.00 0.00 H new ATOM 0 HE3 MET A 58 111.702 -6.053 2.302 1.00 0.00 H new ATOM 959 N GLU A 59 110.813 -9.182 -2.194 1.00 0.00 N ATOM 960 CA GLU A 59 112.006 -9.757 -2.845 1.00 0.00 C ATOM 961 C GLU A 59 113.074 -8.693 -3.148 1.00 0.00 C ATOM 962 O GLU A 59 112.785 -7.510 -3.251 1.00 0.00 O ATOM 963 CB GLU A 59 111.595 -10.397 -4.182 1.00 0.00 C ATOM 964 CG GLU A 59 110.535 -11.482 -4.080 1.00 0.00 C ATOM 965 CD GLU A 59 110.154 -12.028 -5.411 1.00 0.00 C ATOM 966 OE1 GLU A 59 109.476 -11.327 -6.190 1.00 0.00 O ATOM 967 OE2 GLU A 59 110.526 -13.174 -5.725 1.00 0.00 O ATOM 0 H GLU A 59 110.597 -8.226 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 59 112.426 -10.490 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 59 111.227 -9.613 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 59 112.482 -10.821 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 59 110.906 -12.291 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 109.650 -11.077 -3.589 1.00 0.00 H new ATOM 974 N THR A 60 114.305 -9.155 -3.345 1.00 0.00 N ATOM 975 CA THR A 60 115.417 -8.320 -3.715 1.00 0.00 C ATOM 976 C THR A 60 115.061 -7.529 -4.982 1.00 0.00 C ATOM 977 O THR A 60 114.774 -8.120 -6.042 1.00 0.00 O ATOM 978 CB THR A 60 116.605 -9.221 -4.025 1.00 0.00 C ATOM 979 OG1 THR A 60 116.748 -10.220 -2.991 1.00 0.00 O ATOM 980 CG2 THR A 60 117.849 -8.417 -4.083 1.00 0.00 C ATOM 0 H THR A 60 114.551 -10.140 -3.247 1.00 0.00 H new ATOM 0 HA THR A 60 115.653 -7.630 -2.905 1.00 0.00 H new ATOM 0 HB THR A 60 116.432 -9.705 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 60 117.513 -10.797 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 60 118.694 -9.069 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 60 117.758 -7.662 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 60 118.011 -7.928 -3.123 1.00 0.00 H new ATOM 988 N GLY A 61 115.078 -6.226 -4.884 1.00 0.00 N ATOM 989 CA GLY A 61 114.673 -5.424 -5.994 1.00 0.00 C ATOM 990 C GLY A 61 113.455 -4.577 -5.691 1.00 0.00 C ATOM 991 O GLY A 61 112.885 -3.955 -6.596 1.00 0.00 O ATOM 0 H GLY A 61 115.366 -5.707 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 115.498 -4.775 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 61 114.458 -6.071 -6.845 1.00 0.00 H new ATOM 995 N ASP A 62 112.985 -4.612 -4.471 1.00 0.00 N ATOM 996 CA ASP A 62 111.947 -3.687 -4.082 1.00 0.00 C ATOM 997 C ASP A 62 112.488 -2.515 -3.327 1.00 0.00 C ATOM 998 O ASP A 62 113.485 -2.604 -2.626 1.00 0.00 O ATOM 999 CB ASP A 62 110.742 -4.321 -3.395 1.00 0.00 C ATOM 1000 CG ASP A 62 111.025 -5.158 -2.217 1.00 0.00 C ATOM 1001 OD1 ASP A 62 111.553 -4.662 -1.256 1.00 0.00 O ATOM 1002 OD2 ASP A 62 110.599 -6.339 -2.243 1.00 0.00 O ATOM 0 H ASP A 62 113.294 -5.255 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 62 111.548 -3.312 -5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 62 110.063 -3.524 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 62 110.212 -4.930 -4.128 1.00 0.00 H new ATOM 1007 N VAL A 63 111.882 -1.393 -3.551 1.00 0.00 N ATOM 1008 CA VAL A 63 112.282 -0.193 -2.920 1.00 0.00 C ATOM 1009 C VAL A 63 111.367 0.120 -1.750 1.00 0.00 C ATOM 1010 O VAL A 63 110.142 0.285 -1.904 1.00 0.00 O ATOM 1011 CB VAL A 63 112.434 1.005 -3.930 1.00 0.00 C ATOM 1012 CG1 VAL A 63 111.176 1.241 -4.721 1.00 0.00 C ATOM 1013 CG2 VAL A 63 112.870 2.287 -3.235 1.00 0.00 C ATOM 0 H VAL A 63 111.089 -1.291 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 63 113.284 -0.343 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 63 113.220 0.715 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 63 111.327 2.076 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 63 110.932 0.345 -5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 63 110.357 1.473 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 63 112.962 3.086 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 63 112.128 2.566 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 63 113.833 2.128 -2.749 1.00 0.00 H new ATOM 1023 N ILE A 64 111.964 0.146 -0.588 1.00 0.00 N ATOM 1024 CA ILE A 64 111.297 0.427 0.635 1.00 0.00 C ATOM 1025 C ILE A 64 110.998 1.908 0.712 1.00 0.00 C ATOM 1026 O ILE A 64 111.945 2.793 0.825 1.00 0.00 O ATOM 1027 CB ILE A 64 112.110 -0.016 1.876 1.00 0.00 C ATOM 1028 CG1 ILE A 64 112.412 -1.518 1.832 1.00 0.00 C ATOM 1029 CG2 ILE A 64 111.396 0.353 3.184 1.00 0.00 C ATOM 1030 CD1 ILE A 64 111.189 -2.411 1.795 1.00 0.00 C ATOM 0 H ILE A 64 112.961 -0.035 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 64 110.371 -0.148 0.645 1.00 0.00 H new ATOM 0 HB ILE A 64 113.056 0.525 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 64 113.023 -1.726 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 64 113.010 -1.780 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 64 111.998 0.026 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 64 111.259 1.433 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 64 110.423 -0.138 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 64 111.501 -3.455 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 64 110.585 -2.238 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 64 110.599 -2.183 0.907 1.00 0.00 H new ATOM 1042 N VAL A 65 109.704 2.170 0.630 1.00 0.00 N ATOM 1043 CA VAL A 65 109.148 3.478 0.626 1.00 0.00 C ATOM 1044 C VAL A 65 108.870 3.916 2.058 1.00 0.00 C ATOM 1045 O VAL A 65 109.394 4.905 2.506 1.00 0.00 O ATOM 1046 CB VAL A 65 107.832 3.487 -0.212 1.00 0.00 C ATOM 1047 CG1 VAL A 65 107.200 4.856 -0.271 1.00 0.00 C ATOM 1048 CG2 VAL A 65 108.089 2.976 -1.619 1.00 0.00 C ATOM 0 H VAL A 65 108.999 1.436 0.562 1.00 0.00 H new ATOM 0 HA VAL A 65 109.854 4.175 0.175 1.00 0.00 H new ATOM 0 HB VAL A 65 107.132 2.821 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.287 4.810 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 65 106.959 5.189 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.896 5.559 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.159 2.990 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.823 3.615 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.470 1.956 -1.572 1.00 0.00 H new ATOM 1058 N SER A 66 108.063 3.163 2.781 1.00 0.00 N ATOM 1059 CA SER A 66 107.709 3.509 4.165 1.00 0.00 C ATOM 1060 C SER A 66 107.186 2.292 4.910 1.00 0.00 C ATOM 1061 O SER A 66 106.998 1.222 4.314 1.00 0.00 O ATOM 1062 CB SER A 66 106.664 4.645 4.215 1.00 0.00 C ATOM 1063 OG SER A 66 107.164 5.839 3.625 1.00 0.00 O ATOM 0 H SER A 66 107.633 2.303 2.441 1.00 0.00 H new ATOM 0 HA SER A 66 108.618 3.859 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 66 105.759 4.332 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 66 106.385 4.839 5.251 1.00 0.00 H new ATOM 0 HG SER A 66 108.129 5.752 3.478 1.00 0.00 H new ATOM 1069 N VAL A 67 106.957 2.446 6.199 1.00 0.00 N ATOM 1070 CA VAL A 67 106.458 1.378 6.999 1.00 0.00 C ATOM 1071 C VAL A 67 105.428 1.924 7.999 1.00 0.00 C ATOM 1072 O VAL A 67 105.732 2.822 8.772 1.00 0.00 O ATOM 1073 CB VAL A 67 107.620 0.601 7.701 1.00 0.00 C ATOM 1074 CG1 VAL A 67 108.360 1.415 8.748 1.00 0.00 C ATOM 1075 CG2 VAL A 67 107.122 -0.667 8.279 1.00 0.00 C ATOM 0 H VAL A 67 107.115 3.316 6.707 1.00 0.00 H new ATOM 0 HA VAL A 67 105.955 0.654 6.358 1.00 0.00 H new ATOM 0 HB VAL A 67 108.351 0.384 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 67 109.150 0.808 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 67 108.798 2.297 8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 67 107.663 1.726 9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 67 107.944 -1.194 8.763 1.00 0.00 H new ATOM 0 HG22 VAL A 67 106.346 -0.452 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 67 106.708 -1.290 7.486 1.00 0.00 H new ATOM 1085 N ASN A 68 104.208 1.390 7.918 1.00 0.00 N ATOM 1086 CA ASN A 68 103.023 1.782 8.714 1.00 0.00 C ATOM 1087 C ASN A 68 102.920 3.258 9.100 1.00 0.00 C ATOM 1088 O ASN A 68 102.372 4.071 8.343 1.00 0.00 O ATOM 1089 CB ASN A 68 102.650 0.791 9.870 1.00 0.00 C ATOM 1090 CG ASN A 68 103.680 0.628 10.984 1.00 0.00 C ATOM 1091 OD1 ASN A 68 104.869 0.776 10.779 1.00 0.00 O ATOM 1092 ND2 ASN A 68 103.220 0.291 12.158 1.00 0.00 N ATOM 0 H ASN A 68 104.000 0.634 7.266 1.00 0.00 H new ATOM 0 HA ASN A 68 102.222 1.672 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 68 101.714 1.125 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.463 -0.189 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 68 103.864 0.144 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 68 102.216 0.174 12.298 1.00 0.00 H new ATOM 1099 N ASP A 69 103.470 3.597 10.221 1.00 0.00 N ATOM 1100 CA ASP A 69 103.389 4.950 10.770 1.00 0.00 C ATOM 1101 C ASP A 69 104.572 5.826 10.354 1.00 0.00 C ATOM 1102 O ASP A 69 104.408 7.028 10.102 1.00 0.00 O ATOM 1103 CB ASP A 69 103.293 4.919 12.312 1.00 0.00 C ATOM 1104 CG ASP A 69 104.510 4.301 12.983 1.00 0.00 C ATOM 1105 OD1 ASP A 69 105.485 5.009 13.263 1.00 0.00 O ATOM 1106 OD2 ASP A 69 104.511 3.079 13.236 1.00 0.00 O ATOM 0 H ASP A 69 103.999 2.948 10.803 1.00 0.00 H new ATOM 0 HA ASP A 69 102.482 5.391 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 69 103.162 5.936 12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 69 102.404 4.358 12.602 1.00 0.00 H new ATOM 1111 N THR A 70 105.727 5.235 10.220 1.00 0.00 N ATOM 1112 CA THR A 70 106.925 5.985 9.976 1.00 0.00 C ATOM 1113 C THR A 70 107.242 6.122 8.490 1.00 0.00 C ATOM 1114 O THR A 70 107.244 5.140 7.715 1.00 0.00 O ATOM 1115 CB THR A 70 108.115 5.387 10.757 1.00 0.00 C ATOM 1116 OG1 THR A 70 107.838 5.460 12.169 1.00 0.00 O ATOM 1117 CG2 THR A 70 109.412 6.129 10.467 1.00 0.00 C ATOM 0 H THR A 70 105.863 4.226 10.277 1.00 0.00 H new ATOM 0 HA THR A 70 106.748 6.996 10.343 1.00 0.00 H new ATOM 0 HB THR A 70 108.239 4.352 10.440 1.00 0.00 H new ATOM 0 HG1 THR A 70 106.950 5.087 12.348 1.00 0.00 H new ATOM 0 HG21 THR A 70 110.225 5.677 11.036 1.00 0.00 H new ATOM 0 HG22 THR A 70 109.636 6.067 9.402 1.00 0.00 H new ATOM 0 HG23 THR A 70 109.305 7.175 10.755 1.00 0.00 H new ATOM 1125 N CYS A 71 107.509 7.339 8.106 1.00 0.00 N ATOM 1126 CA CYS A 71 107.852 7.660 6.768 1.00 0.00 C ATOM 1127 C CYS A 71 109.349 7.425 6.610 1.00 0.00 C ATOM 1128 O CYS A 71 110.177 8.292 6.872 1.00 0.00 O ATOM 1129 CB CYS A 71 107.478 9.116 6.466 1.00 0.00 C ATOM 1130 SG CYS A 71 107.538 9.583 4.711 1.00 0.00 S ATOM 0 H CYS A 71 107.491 8.143 8.733 1.00 0.00 H new ATOM 0 HA CYS A 71 107.306 7.035 6.062 1.00 0.00 H new ATOM 0 HB2 CYS A 71 106.471 9.301 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 71 108.150 9.770 7.022 1.00 0.00 H new ATOM 0 HG CYS A 71 106.661 10.515 4.480 1.00 0.00 H new ATOM 1136 N VAL A 72 109.681 6.214 6.225 1.00 0.00 N ATOM 1137 CA VAL A 72 111.067 5.781 6.018 1.00 0.00 C ATOM 1138 C VAL A 72 111.557 6.301 4.656 1.00 0.00 C ATOM 1139 O VAL A 72 112.705 6.114 4.241 1.00 0.00 O ATOM 1140 CB VAL A 72 111.142 4.228 6.091 1.00 0.00 C ATOM 1141 CG1 VAL A 72 112.557 3.720 5.999 1.00 0.00 C ATOM 1142 CG2 VAL A 72 110.515 3.742 7.368 1.00 0.00 C ATOM 0 H VAL A 72 108.995 5.482 6.041 1.00 0.00 H new ATOM 0 HA VAL A 72 111.712 6.188 6.797 1.00 0.00 H new ATOM 0 HB VAL A 72 110.594 3.838 5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.557 2.631 6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.996 4.035 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 72 113.143 4.125 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 72 110.572 2.654 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 72 111.047 4.167 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 72 109.471 4.052 7.402 1.00 0.00 H new ATOM 1152 N LEU A 73 110.669 6.982 4.000 1.00 0.00 N ATOM 1153 CA LEU A 73 110.899 7.576 2.741 1.00 0.00 C ATOM 1154 C LEU A 73 111.884 8.692 2.945 1.00 0.00 C ATOM 1155 O LEU A 73 111.571 9.712 3.586 1.00 0.00 O ATOM 1156 CB LEU A 73 109.560 8.114 2.303 1.00 0.00 C ATOM 1157 CG LEU A 73 109.388 8.559 0.890 1.00 0.00 C ATOM 1158 CD1 LEU A 73 109.728 7.431 -0.062 1.00 0.00 C ATOM 1159 CD2 LEU A 73 107.955 8.967 0.722 1.00 0.00 C ATOM 0 H LEU A 73 109.725 7.140 4.353 1.00 0.00 H new ATOM 0 HA LEU A 73 111.299 6.890 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 108.815 7.342 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 73 109.319 8.960 2.946 1.00 0.00 H new ATOM 0 HG LEU A 73 110.054 9.392 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 73 109.598 7.770 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 73 110.763 7.125 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 73 109.068 6.584 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.789 9.300 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.307 8.117 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 73 107.725 9.781 1.410 1.00 0.00 H new ATOM 1171 N GLY A 74 113.064 8.498 2.420 1.00 0.00 N ATOM 1172 CA GLY A 74 114.113 9.445 2.604 1.00 0.00 C ATOM 1173 C GLY A 74 114.557 9.519 4.052 1.00 0.00 C ATOM 1174 O GLY A 74 114.691 10.610 4.625 1.00 0.00 O ATOM 0 H GLY A 74 113.317 7.685 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 74 114.962 9.173 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 74 113.776 10.429 2.276 1.00 0.00 H new ATOM 1178 N HIS A 75 114.686 8.382 4.666 1.00 0.00 N ATOM 1179 CA HIS A 75 115.164 8.293 6.012 1.00 0.00 C ATOM 1180 C HIS A 75 116.653 8.096 5.925 1.00 0.00 C ATOM 1181 O HIS A 75 117.131 7.355 5.063 1.00 0.00 O ATOM 1182 CB HIS A 75 114.543 7.088 6.711 1.00 0.00 C ATOM 1183 CG HIS A 75 113.941 7.363 8.043 1.00 0.00 C ATOM 1184 ND1 HIS A 75 112.719 7.979 8.253 1.00 0.00 N ATOM 1185 CD2 HIS A 75 114.416 7.064 9.248 1.00 0.00 C ATOM 1186 CE1 HIS A 75 112.510 8.029 9.568 1.00 0.00 C ATOM 1187 NE2 HIS A 75 113.518 7.486 10.227 1.00 0.00 N ATOM 0 H HIS A 75 114.460 7.482 4.243 1.00 0.00 H new ATOM 0 HA HIS A 75 114.905 9.189 6.576 1.00 0.00 H new ATOM 0 HB2 HIS A 75 113.773 6.670 6.062 1.00 0.00 H new ATOM 0 HB3 HIS A 75 115.310 6.323 6.829 1.00 0.00 H new ATOM 0 HD1 HIS A 75 112.091 8.331 7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 75 115.356 6.569 9.440 1.00 0.00 H new ATOM 0 HE1 HIS A 75 111.634 8.456 10.033 1.00 0.00 H new ATOM 1195 N THR A 76 117.369 8.769 6.762 1.00 0.00 N ATOM 1196 CA THR A 76 118.804 8.677 6.793 1.00 0.00 C ATOM 1197 C THR A 76 119.207 7.292 7.315 1.00 0.00 C ATOM 1198 O THR A 76 118.503 6.776 8.188 1.00 0.00 O ATOM 1199 CB THR A 76 119.329 9.750 7.762 1.00 0.00 C ATOM 1200 OG1 THR A 76 118.812 11.034 7.394 1.00 0.00 O ATOM 1201 CG2 THR A 76 120.848 9.805 7.828 1.00 0.00 C ATOM 0 H THR A 76 116.977 9.407 7.454 1.00 0.00 H new ATOM 0 HA THR A 76 119.218 8.826 5.796 1.00 0.00 H new ATOM 0 HB THR A 76 118.980 9.473 8.757 1.00 0.00 H new ATOM 0 HG1 THR A 76 119.149 11.713 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 76 121.154 10.582 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 76 121.233 8.842 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 76 121.247 10.031 6.839 1.00 0.00 H new ATOM 1209 N HIS A 77 120.286 6.692 6.803 1.00 0.00 N ATOM 1210 CA HIS A 77 120.714 5.339 7.218 1.00 0.00 C ATOM 1211 C HIS A 77 120.734 5.174 8.709 1.00 0.00 C ATOM 1212 O HIS A 77 120.130 4.258 9.226 1.00 0.00 O ATOM 1213 CB HIS A 77 122.097 4.995 6.642 1.00 0.00 C ATOM 1214 CG HIS A 77 122.560 3.584 6.938 1.00 0.00 C ATOM 1215 ND1 HIS A 77 122.538 2.572 6.023 1.00 0.00 N ATOM 1216 CD2 HIS A 77 123.106 3.048 8.065 1.00 0.00 C ATOM 1217 CE1 HIS A 77 123.061 1.490 6.589 1.00 0.00 C ATOM 1218 NE2 HIS A 77 123.422 1.718 7.832 1.00 0.00 N ATOM 0 H HIS A 77 120.886 7.119 6.097 1.00 0.00 H new ATOM 0 HA HIS A 77 119.973 4.648 6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 77 122.074 5.139 5.562 1.00 0.00 H new ATOM 0 HB3 HIS A 77 122.829 5.697 7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 77 123.267 3.576 8.993 1.00 0.00 H new ATOM 0 HE1 HIS A 77 123.176 0.540 6.089 1.00 0.00 H new ATOM 0 HE2 HIS A 77 123.844 1.058 8.485 1.00 0.00 H new ATOM 1226 N ALA A 78 121.350 6.108 9.385 1.00 0.00 N ATOM 1227 CA ALA A 78 121.506 6.044 10.841 1.00 0.00 C ATOM 1228 C ALA A 78 120.150 6.042 11.535 1.00 0.00 C ATOM 1229 O ALA A 78 119.950 5.393 12.556 1.00 0.00 O ATOM 1230 CB ALA A 78 122.345 7.206 11.337 1.00 0.00 C ATOM 0 H ALA A 78 121.761 6.938 8.957 1.00 0.00 H new ATOM 0 HA ALA A 78 122.017 5.112 11.084 1.00 0.00 H new ATOM 0 HB1 ALA A 78 122.450 7.142 12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 78 123.331 7.167 10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 78 121.858 8.145 11.074 1.00 0.00 H new ATOM 1236 N GLN A 79 119.212 6.709 10.923 1.00 0.00 N ATOM 1237 CA GLN A 79 117.906 6.866 11.471 1.00 0.00 C ATOM 1238 C GLN A 79 117.081 5.606 11.215 1.00 0.00 C ATOM 1239 O GLN A 79 116.488 5.033 12.136 1.00 0.00 O ATOM 1240 CB GLN A 79 117.254 8.068 10.822 1.00 0.00 C ATOM 1241 CG GLN A 79 118.061 9.357 10.944 1.00 0.00 C ATOM 1242 CD GLN A 79 118.203 9.922 12.338 1.00 0.00 C ATOM 1243 OE1 GLN A 79 118.202 9.212 13.344 1.00 0.00 O ATOM 1244 NE2 GLN A 79 118.369 11.205 12.392 1.00 0.00 N ATOM 0 H GLN A 79 119.341 7.162 10.018 1.00 0.00 H new ATOM 0 HA GLN A 79 117.966 7.021 12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 79 117.091 7.853 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 79 116.273 8.222 11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 79 119.059 9.177 10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 79 117.596 10.114 10.312 1.00 0.00 H new ATOM 0 HE21 GLN A 79 118.363 11.757 11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 79 118.506 11.664 13.293 1.00 0.00 H new ATOM 1253 N VAL A 80 117.078 5.165 9.967 1.00 0.00 N ATOM 1254 CA VAL A 80 116.338 3.986 9.579 1.00 0.00 C ATOM 1255 C VAL A 80 116.891 2.729 10.259 1.00 0.00 C ATOM 1256 O VAL A 80 116.125 1.910 10.781 1.00 0.00 O ATOM 1257 CB VAL A 80 116.233 3.801 8.027 1.00 0.00 C ATOM 1258 CG1 VAL A 80 117.594 3.699 7.361 1.00 0.00 C ATOM 1259 CG2 VAL A 80 115.390 2.582 7.717 1.00 0.00 C ATOM 0 H VAL A 80 117.585 5.613 9.204 1.00 0.00 H new ATOM 0 HA VAL A 80 115.318 4.141 9.931 1.00 0.00 H new ATOM 0 HB VAL A 80 115.754 4.690 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 80 117.465 3.572 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 80 118.162 4.609 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 80 118.134 2.843 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 80 115.318 2.455 6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 80 115.853 1.698 8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 80 114.392 2.714 8.134 1.00 0.00 H new ATOM 1269 N VAL A 81 118.221 2.617 10.316 1.00 0.00 N ATOM 1270 CA VAL A 81 118.875 1.485 10.956 1.00 0.00 C ATOM 1271 C VAL A 81 118.531 1.471 12.422 1.00 0.00 C ATOM 1272 O VAL A 81 118.361 0.432 13.001 1.00 0.00 O ATOM 1273 CB VAL A 81 120.443 1.413 10.732 1.00 0.00 C ATOM 1274 CG1 VAL A 81 121.212 2.468 11.517 1.00 0.00 C ATOM 1275 CG2 VAL A 81 120.984 0.020 11.034 1.00 0.00 C ATOM 0 H VAL A 81 118.864 3.304 9.923 1.00 0.00 H new ATOM 0 HA VAL A 81 118.489 0.589 10.470 1.00 0.00 H new ATOM 0 HB VAL A 81 120.603 1.630 9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 81 122.279 2.363 11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 81 120.882 3.461 11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 81 121.026 2.336 12.583 1.00 0.00 H new ATOM 0 HG21 VAL A 81 122.062 0.005 10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 81 120.771 -0.236 12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 120.507 -0.706 10.376 1.00 0.00 H new ATOM 1285 N LYS A 82 118.408 2.639 13.007 1.00 0.00 N ATOM 1286 CA LYS A 82 118.022 2.749 14.381 1.00 0.00 C ATOM 1287 C LYS A 82 116.624 2.153 14.607 1.00 0.00 C ATOM 1288 O LYS A 82 116.432 1.381 15.530 1.00 0.00 O ATOM 1289 CB LYS A 82 118.127 4.222 14.821 1.00 0.00 C ATOM 1290 CG LYS A 82 117.742 4.543 16.276 1.00 0.00 C ATOM 1291 CD LYS A 82 116.238 4.786 16.477 1.00 0.00 C ATOM 1292 CE LYS A 82 115.768 6.055 15.762 1.00 0.00 C ATOM 1293 NZ LYS A 82 114.362 6.389 16.078 1.00 0.00 N ATOM 0 H LYS A 82 118.573 3.531 12.541 1.00 0.00 H new ATOM 0 HA LYS A 82 118.700 2.167 15.006 1.00 0.00 H new ATOM 0 HB2 LYS A 82 119.154 4.551 14.661 1.00 0.00 H new ATOM 0 HB3 LYS A 82 117.495 4.818 14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 82 118.057 3.719 16.916 1.00 0.00 H new ATOM 0 HG3 LYS A 82 118.291 5.427 16.601 1.00 0.00 H new ATOM 0 HD2 LYS A 82 115.678 3.929 16.103 1.00 0.00 H new ATOM 0 HD3 LYS A 82 116.022 4.867 17.542 1.00 0.00 H new ATOM 0 HE2 LYS A 82 116.410 6.889 16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 82 115.875 5.923 14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.036 7.149 15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 113.766 5.547 15.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 114.294 6.705 17.066 1.00 0.00 H new ATOM 1307 N ILE A 83 115.679 2.444 13.721 1.00 0.00 N ATOM 1308 CA ILE A 83 114.300 1.992 13.914 1.00 0.00 C ATOM 1309 C ILE A 83 114.222 0.499 13.669 1.00 0.00 C ATOM 1310 O ILE A 83 113.776 -0.286 14.516 1.00 0.00 O ATOM 1311 CB ILE A 83 113.332 2.703 12.937 1.00 0.00 C ATOM 1312 CG1 ILE A 83 113.454 4.220 13.072 1.00 0.00 C ATOM 1313 CG2 ILE A 83 111.886 2.249 13.177 1.00 0.00 C ATOM 1314 CD1 ILE A 83 112.516 4.986 12.177 1.00 0.00 C ATOM 0 H ILE A 83 115.836 2.984 12.870 1.00 0.00 H new ATOM 0 HA ILE A 83 114.007 2.232 14.936 1.00 0.00 H new ATOM 0 HB ILE A 83 113.608 2.427 11.919 1.00 0.00 H new ATOM 0 HG12 ILE A 83 113.263 4.500 14.108 1.00 0.00 H new ATOM 0 HG13 ILE A 83 114.479 4.515 12.846 1.00 0.00 H new ATOM 0 HG21 ILE A 83 111.223 2.761 12.480 1.00 0.00 H new ATOM 0 HG22 ILE A 83 111.812 1.172 13.023 1.00 0.00 H new ATOM 0 HG23 ILE A 83 111.594 2.490 14.199 1.00 0.00 H new ATOM 0 HD11 ILE A 83 112.661 6.056 12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 83 112.721 4.736 11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 83 111.486 4.721 12.418 1.00 0.00 H new ATOM 1326 N PHE A 84 114.760 0.132 12.547 1.00 0.00 N ATOM 1327 CA PHE A 84 114.742 -1.210 12.045 1.00 0.00 C ATOM 1328 C PHE A 84 115.575 -2.171 12.895 1.00 0.00 C ATOM 1329 O PHE A 84 115.340 -3.364 12.901 1.00 0.00 O ATOM 1330 CB PHE A 84 115.191 -1.192 10.589 1.00 0.00 C ATOM 1331 CG PHE A 84 114.107 -0.794 9.593 1.00 0.00 C ATOM 1332 CD1 PHE A 84 113.405 0.392 9.731 1.00 0.00 C ATOM 1333 CD2 PHE A 84 113.788 -1.620 8.528 1.00 0.00 C ATOM 1334 CE1 PHE A 84 112.416 0.744 8.836 1.00 0.00 C ATOM 1335 CE2 PHE A 84 112.798 -1.273 7.628 1.00 0.00 C ATOM 1336 CZ PHE A 84 112.112 -0.089 7.782 1.00 0.00 C ATOM 0 H PHE A 84 115.244 0.785 11.930 1.00 0.00 H new ATOM 0 HA PHE A 84 113.723 -1.593 12.104 1.00 0.00 H new ATOM 0 HB2 PHE A 84 116.028 -0.501 10.490 1.00 0.00 H new ATOM 0 HB3 PHE A 84 115.562 -2.182 10.325 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.636 1.053 10.554 1.00 0.00 H new ATOM 0 HD2 PHE A 84 114.321 -2.550 8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.880 1.673 8.962 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.563 -1.930 6.804 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.339 0.185 7.079 1.00 0.00 H new ATOM 1346 N GLN A 85 116.587 -1.666 13.532 1.00 0.00 N ATOM 1347 CA GLN A 85 117.359 -2.462 14.451 1.00 0.00 C ATOM 1348 C GLN A 85 116.825 -2.458 15.901 1.00 0.00 C ATOM 1349 O GLN A 85 117.197 -3.321 16.698 1.00 0.00 O ATOM 1350 CB GLN A 85 118.846 -2.136 14.358 1.00 0.00 C ATOM 1351 CG GLN A 85 119.503 -2.685 13.109 1.00 0.00 C ATOM 1352 CD GLN A 85 119.465 -4.190 13.073 1.00 0.00 C ATOM 1353 OE1 GLN A 85 119.497 -4.843 14.104 1.00 0.00 O ATOM 1354 NE2 GLN A 85 119.396 -4.753 11.915 1.00 0.00 N ATOM 0 H GLN A 85 116.903 -0.701 13.435 1.00 0.00 H new ATOM 0 HA GLN A 85 117.233 -3.496 14.129 1.00 0.00 H new ATOM 0 HB2 GLN A 85 118.976 -1.054 14.383 1.00 0.00 H new ATOM 0 HB3 GLN A 85 119.354 -2.538 15.234 1.00 0.00 H new ATOM 0 HG2 GLN A 85 118.999 -2.287 12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 85 120.538 -2.346 13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 85 119.371 -4.181 11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 85 119.367 -5.770 11.843 1.00 0.00 H new ATOM 1363 N SER A 86 115.967 -1.494 16.258 1.00 0.00 N ATOM 1364 CA SER A 86 115.485 -1.427 17.643 1.00 0.00 C ATOM 1365 C SER A 86 114.145 -2.136 17.858 1.00 0.00 C ATOM 1366 O SER A 86 113.743 -2.357 19.018 1.00 0.00 O ATOM 1367 CB SER A 86 115.440 0.016 18.173 1.00 0.00 C ATOM 1368 OG SER A 86 114.628 0.854 17.363 1.00 0.00 O ATOM 0 H SER A 86 115.603 -0.774 15.633 1.00 0.00 H new ATOM 0 HA SER A 86 116.222 -1.976 18.229 1.00 0.00 H new ATOM 0 HB2 SER A 86 115.057 0.016 19.193 1.00 0.00 H new ATOM 0 HB3 SER A 86 116.452 0.420 18.213 1.00 0.00 H new ATOM 0 HG SER A 86 115.196 1.365 16.749 1.00 0.00 H new ATOM 1374 N ILE A 87 113.454 -2.469 16.768 1.00 0.00 N ATOM 1375 CA ILE A 87 112.190 -3.198 16.821 1.00 0.00 C ATOM 1376 C ILE A 87 112.264 -4.491 17.655 1.00 0.00 C ATOM 1377 O ILE A 87 113.316 -5.095 17.805 1.00 0.00 O ATOM 1378 CB ILE A 87 111.629 -3.549 15.419 1.00 0.00 C ATOM 1379 CG1 ILE A 87 112.684 -3.539 14.335 1.00 0.00 C ATOM 1380 CG2 ILE A 87 110.372 -2.772 15.047 1.00 0.00 C ATOM 1381 CD1 ILE A 87 112.129 -3.815 12.981 1.00 0.00 C ATOM 0 H ILE A 87 113.757 -2.239 15.822 1.00 0.00 H new ATOM 0 HA ILE A 87 111.511 -2.501 17.312 1.00 0.00 H new ATOM 0 HB ILE A 87 111.302 -4.586 15.498 1.00 0.00 H new ATOM 0 HG12 ILE A 87 113.180 -2.569 14.327 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.445 -4.284 14.569 1.00 0.00 H new ATOM 0 HG21 ILE A 87 110.040 -3.072 14.053 1.00 0.00 H new ATOM 0 HG22 ILE A 87 109.586 -2.983 15.772 1.00 0.00 H new ATOM 0 HG23 ILE A 87 110.590 -1.704 15.050 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.934 -3.794 12.247 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.657 -4.798 12.975 1.00 0.00 H new ATOM 0 HD13 ILE A 87 111.389 -3.055 12.729 1.00 0.00 H new ATOM 1393 N PRO A 88 111.119 -4.923 18.181 1.00 0.00 N ATOM 1394 CA PRO A 88 111.009 -6.073 19.044 1.00 0.00 C ATOM 1395 C PRO A 88 110.628 -7.336 18.280 1.00 0.00 C ATOM 1396 O PRO A 88 109.925 -7.301 17.255 1.00 0.00 O ATOM 1397 CB PRO A 88 109.867 -5.657 19.989 1.00 0.00 C ATOM 1398 CG PRO A 88 109.133 -4.535 19.284 1.00 0.00 C ATOM 1399 CD PRO A 88 109.814 -4.344 17.958 1.00 0.00 C ATOM 0 HA PRO A 88 111.947 -6.318 19.542 1.00 0.00 H new ATOM 0 HB2 PRO A 88 109.200 -6.496 20.188 1.00 0.00 H new ATOM 0 HB3 PRO A 88 110.257 -5.325 20.951 1.00 0.00 H new ATOM 0 HG2 PRO A 88 108.081 -4.786 19.147 1.00 0.00 H new ATOM 0 HG3 PRO A 88 109.168 -3.619 19.873 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.280 -4.849 17.153 1.00 0.00 H new ATOM 0 HD3 PRO A 88 109.880 -3.291 17.685 1.00 0.00 H new ATOM 1407 N ILE A 89 111.117 -8.431 18.774 1.00 0.00 N ATOM 1408 CA ILE A 89 110.862 -9.741 18.223 1.00 0.00 C ATOM 1409 C ILE A 89 109.377 -10.087 18.367 1.00 0.00 C ATOM 1410 O ILE A 89 108.822 -10.018 19.467 1.00 0.00 O ATOM 1411 CB ILE A 89 111.725 -10.797 18.980 1.00 0.00 C ATOM 1412 CG1 ILE A 89 113.199 -10.412 18.890 1.00 0.00 C ATOM 1413 CG2 ILE A 89 111.485 -12.212 18.467 1.00 0.00 C ATOM 1414 CD1 ILE A 89 114.162 -11.359 19.539 1.00 0.00 C ATOM 0 H ILE A 89 111.722 -8.447 19.595 1.00 0.00 H new ATOM 0 HA ILE A 89 111.126 -9.746 17.165 1.00 0.00 H new ATOM 0 HB ILE A 89 111.422 -10.798 20.027 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.466 -10.317 17.838 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.326 -9.428 19.342 1.00 0.00 H new ATOM 0 HG21 ILE A 89 112.108 -12.912 19.024 1.00 0.00 H new ATOM 0 HG22 ILE A 89 110.436 -12.474 18.601 1.00 0.00 H new ATOM 0 HG23 ILE A 89 111.740 -12.263 17.408 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.179 -10.987 19.414 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.933 -11.439 20.602 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.076 -12.341 19.074 1.00 0.00 H new ATOM 1426 N GLY A 90 108.747 -10.409 17.261 1.00 0.00 N ATOM 1427 CA GLY A 90 107.363 -10.790 17.274 1.00 0.00 C ATOM 1428 C GLY A 90 106.425 -9.665 16.872 1.00 0.00 C ATOM 1429 O GLY A 90 105.214 -9.793 17.036 1.00 0.00 O ATOM 0 H GLY A 90 109.179 -10.413 16.337 1.00 0.00 H new ATOM 0 HA2 GLY A 90 107.219 -11.633 16.598 1.00 0.00 H new ATOM 0 HA3 GLY A 90 107.098 -11.135 18.273 1.00 0.00 H new ATOM 1433 N ALA A 91 106.957 -8.566 16.344 1.00 0.00 N ATOM 1434 CA ALA A 91 106.104 -7.410 16.070 1.00 0.00 C ATOM 1435 C ALA A 91 105.571 -7.427 14.622 1.00 0.00 C ATOM 1436 O ALA A 91 105.857 -8.334 13.864 1.00 0.00 O ATOM 1437 CB ALA A 91 106.858 -6.128 16.388 1.00 0.00 C ATOM 0 H ALA A 91 107.941 -8.450 16.103 1.00 0.00 H new ATOM 0 HA ALA A 91 105.228 -7.460 16.717 1.00 0.00 H new ATOM 0 HB1 ALA A 91 106.219 -5.269 16.182 1.00 0.00 H new ATOM 0 HB2 ALA A 91 107.143 -6.125 17.440 1.00 0.00 H new ATOM 0 HB3 ALA A 91 107.754 -6.070 15.770 1.00 0.00 H new ATOM 1443 N SER A 92 104.823 -6.417 14.246 1.00 0.00 N ATOM 1444 CA SER A 92 104.197 -6.355 12.932 1.00 0.00 C ATOM 1445 C SER A 92 104.284 -4.955 12.370 1.00 0.00 C ATOM 1446 O SER A 92 104.420 -3.990 13.123 1.00 0.00 O ATOM 1447 CB SER A 92 102.731 -6.802 13.064 1.00 0.00 C ATOM 1448 OG SER A 92 101.994 -6.593 11.876 1.00 0.00 O ATOM 0 H SER A 92 104.627 -5.610 14.838 1.00 0.00 H new ATOM 0 HA SER A 92 104.718 -7.019 12.243 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.699 -7.859 13.327 1.00 0.00 H new ATOM 0 HB3 SER A 92 102.260 -6.256 13.881 1.00 0.00 H new ATOM 0 HG SER A 92 101.053 -6.818 12.031 1.00 0.00 H new ATOM 1454 N VAL A 93 104.332 -4.877 11.050 1.00 0.00 N ATOM 1455 CA VAL A 93 104.301 -3.630 10.305 1.00 0.00 C ATOM 1456 C VAL A 93 103.703 -3.829 8.975 1.00 0.00 C ATOM 1457 O VAL A 93 103.737 -4.916 8.433 1.00 0.00 O ATOM 1458 CB VAL A 93 105.664 -2.958 10.083 1.00 0.00 C ATOM 1459 CG1 VAL A 93 106.147 -2.190 11.275 1.00 0.00 C ATOM 1460 CG2 VAL A 93 106.713 -3.943 9.570 1.00 0.00 C ATOM 0 H VAL A 93 104.395 -5.701 10.452 1.00 0.00 H new ATOM 0 HA VAL A 93 103.706 -2.972 10.939 1.00 0.00 H new ATOM 0 HB VAL A 93 105.506 -2.218 9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 93 107.115 -1.741 11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 93 105.430 -1.406 11.517 1.00 0.00 H new ATOM 0 HG13 VAL A 93 106.248 -2.864 12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 93 107.661 -3.424 9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 93 106.844 -4.745 10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 93 106.383 -4.364 8.620 1.00 0.00 H new ATOM 1470 N ASP A 94 103.209 -2.765 8.448 1.00 0.00 N ATOM 1471 CA ASP A 94 102.630 -2.723 7.157 1.00 0.00 C ATOM 1472 C ASP A 94 103.627 -2.040 6.283 1.00 0.00 C ATOM 1473 O ASP A 94 103.829 -0.845 6.385 1.00 0.00 O ATOM 1474 CB ASP A 94 101.363 -1.890 7.205 1.00 0.00 C ATOM 1475 CG ASP A 94 100.256 -2.492 8.033 1.00 0.00 C ATOM 1476 OD1 ASP A 94 99.575 -3.433 7.582 1.00 0.00 O ATOM 1477 OD2 ASP A 94 100.025 -2.020 9.164 1.00 0.00 O ATOM 0 H ASP A 94 103.198 -1.864 8.926 1.00 0.00 H new ATOM 0 HA ASP A 94 102.383 -3.720 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 94 101.605 -0.905 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.001 -1.742 6.188 1.00 0.00 H new ATOM 1482 N LEU A 95 104.246 -2.767 5.457 1.00 0.00 N ATOM 1483 CA LEU A 95 105.309 -2.258 4.662 1.00 0.00 C ATOM 1484 C LEU A 95 104.786 -1.808 3.312 1.00 0.00 C ATOM 1485 O LEU A 95 104.120 -2.576 2.614 1.00 0.00 O ATOM 1486 CB LEU A 95 106.329 -3.365 4.477 1.00 0.00 C ATOM 1487 CG LEU A 95 107.730 -2.943 4.110 1.00 0.00 C ATOM 1488 CD1 LEU A 95 108.345 -2.192 5.276 1.00 0.00 C ATOM 1489 CD2 LEU A 95 108.548 -4.159 3.781 1.00 0.00 C ATOM 0 H LEU A 95 104.037 -3.753 5.299 1.00 0.00 H new ATOM 0 HA LEU A 95 105.765 -1.399 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.378 -3.940 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 95 105.963 -4.039 3.702 1.00 0.00 H new ATOM 0 HG LEU A 95 107.707 -2.289 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 95 109.358 -1.884 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 95 107.744 -1.311 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 95 108.376 -2.841 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 95 109.561 -3.855 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 95 108.583 -4.820 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.095 -4.686 2.941 1.00 0.00 H new ATOM 1501 N GLU A 96 105.065 -0.578 2.956 1.00 0.00 N ATOM 1502 CA GLU A 96 104.690 -0.064 1.664 1.00 0.00 C ATOM 1503 C GLU A 96 105.943 0.100 0.820 1.00 0.00 C ATOM 1504 O GLU A 96 106.867 0.883 1.150 1.00 0.00 O ATOM 1505 CB GLU A 96 103.829 1.212 1.777 1.00 0.00 C ATOM 1506 CG GLU A 96 104.417 2.322 2.624 1.00 0.00 C ATOM 1507 CD GLU A 96 103.460 3.469 2.822 1.00 0.00 C ATOM 1508 OE1 GLU A 96 102.656 3.431 3.778 1.00 0.00 O ATOM 1509 OE2 GLU A 96 103.494 4.441 2.042 1.00 0.00 O ATOM 0 H GLU A 96 105.555 0.090 3.550 1.00 0.00 H new ATOM 0 HA GLU A 96 104.041 -0.775 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 96 103.651 1.599 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 96 102.858 0.939 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.702 1.920 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 96 105.328 2.691 2.152 1.00 0.00 H new ATOM 1516 N LEU A 97 106.013 -0.689 -0.214 1.00 0.00 N ATOM 1517 CA LEU A 97 107.192 -0.784 -1.020 1.00 0.00 C ATOM 1518 C LEU A 97 106.846 -0.933 -2.486 1.00 0.00 C ATOM 1519 O LEU A 97 105.752 -1.401 -2.835 1.00 0.00 O ATOM 1520 CB LEU A 97 108.084 -1.961 -0.552 1.00 0.00 C ATOM 1521 CG LEU A 97 107.529 -3.420 -0.643 1.00 0.00 C ATOM 1522 CD1 LEU A 97 108.616 -4.362 -0.280 1.00 0.00 C ATOM 1523 CD2 LEU A 97 106.354 -3.669 0.285 1.00 0.00 C ATOM 0 H LEU A 97 105.247 -1.288 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 97 107.751 0.144 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 97 109.007 -1.924 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 97 108.353 -1.776 0.488 1.00 0.00 H new ATOM 0 HG LEU A 97 107.179 -3.570 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 97 108.245 -5.385 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 97 109.450 -4.238 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 97 108.952 -4.155 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 97 106.015 -4.699 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 97 106.662 -3.497 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 97 105.540 -2.990 0.031 1.00 0.00 H new ATOM 1535 N CYS A 98 107.760 -0.540 -3.330 1.00 0.00 N ATOM 1536 CA CYS A 98 107.586 -0.665 -4.750 1.00 0.00 C ATOM 1537 C CYS A 98 108.591 -1.669 -5.294 1.00 0.00 C ATOM 1538 O CYS A 98 109.780 -1.409 -5.362 1.00 0.00 O ATOM 1539 CB CYS A 98 107.731 0.692 -5.437 1.00 0.00 C ATOM 1540 SG CYS A 98 106.630 1.964 -4.780 1.00 0.00 S ATOM 0 H CYS A 98 108.648 -0.123 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 98 106.579 -1.027 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 98 108.762 1.031 -5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 98 107.537 0.572 -6.503 1.00 0.00 H new ATOM 0 HG CYS A 98 106.481 2.907 -5.662 1.00 0.00 H new ATOM 1546 N ARG A 99 108.109 -2.810 -5.648 1.00 0.00 N ATOM 1547 CA ARG A 99 108.931 -3.862 -6.137 1.00 0.00 C ATOM 1548 C ARG A 99 109.142 -3.709 -7.599 1.00 0.00 C ATOM 1549 O ARG A 99 108.208 -3.455 -8.336 1.00 0.00 O ATOM 1550 CB ARG A 99 108.320 -5.200 -5.807 1.00 0.00 C ATOM 1551 CG ARG A 99 109.105 -6.391 -6.304 1.00 0.00 C ATOM 1552 CD ARG A 99 109.285 -7.398 -5.193 1.00 0.00 C ATOM 1553 NE ARG A 99 107.995 -7.834 -4.704 1.00 0.00 N ATOM 1554 CZ ARG A 99 107.453 -7.514 -3.546 1.00 0.00 C ATOM 1555 NH1 ARG A 99 108.118 -6.819 -2.651 1.00 0.00 N ATOM 1556 NH2 ARG A 99 106.240 -7.906 -3.286 1.00 0.00 N ATOM 0 H ARG A 99 107.117 -3.042 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 99 109.904 -3.810 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 99 108.213 -5.278 -4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 99 107.317 -5.241 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.585 -6.854 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 99 110.078 -6.066 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 99 109.853 -8.254 -5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.860 -6.955 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 99 107.454 -8.447 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 99 109.072 -6.517 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.680 -6.582 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.722 -8.453 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 99 105.807 -7.666 -2.394 1.00 0.00 H new ATOM 1570 N GLY A 100 110.349 -3.846 -8.013 1.00 0.00 N ATOM 1571 CA GLY A 100 110.645 -3.691 -9.399 1.00 0.00 C ATOM 1572 C GLY A 100 111.510 -2.502 -9.625 1.00 0.00 C ATOM 1573 O GLY A 100 111.294 -1.724 -10.555 1.00 0.00 O ATOM 0 H GLY A 100 111.149 -4.064 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 100 111.144 -4.586 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 100 109.719 -3.585 -9.964 1.00 0.00 H new ATOM 1577 N TYR A 101 112.444 -2.322 -8.752 1.00 0.00 N ATOM 1578 CA TYR A 101 113.407 -1.301 -8.879 1.00 0.00 C ATOM 1579 C TYR A 101 114.695 -2.012 -9.229 1.00 0.00 C ATOM 1580 O TYR A 101 115.070 -2.975 -8.544 1.00 0.00 O ATOM 1581 CB TYR A 101 113.555 -0.526 -7.562 1.00 0.00 C ATOM 1582 CG TYR A 101 114.295 0.781 -7.734 1.00 0.00 C ATOM 1583 CD1 TYR A 101 115.677 0.856 -7.621 1.00 0.00 C ATOM 1584 CD2 TYR A 101 113.600 1.939 -8.039 1.00 0.00 C ATOM 1585 CE1 TYR A 101 116.340 2.050 -7.811 1.00 0.00 C ATOM 1586 CE2 TYR A 101 114.253 3.135 -8.224 1.00 0.00 C ATOM 1587 CZ TYR A 101 115.624 3.186 -8.111 1.00 0.00 C ATOM 1588 OH TYR A 101 116.283 4.382 -8.315 1.00 0.00 O ATOM 0 H TYR A 101 112.554 -2.897 -7.916 1.00 0.00 H new ATOM 0 HA TYR A 101 113.127 -0.570 -9.638 1.00 0.00 H new ATOM 0 HB2 TYR A 101 112.566 -0.327 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 101 114.084 -1.146 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 101 116.241 -0.033 -7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 101 112.525 1.902 -8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 101 117.416 2.093 -7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 101 113.694 4.029 -8.457 1.00 0.00 H new ATOM 0 HH TYR A 101 115.631 5.084 -8.518 1.00 0.00 H new ATOM 1598 N PRO A 102 115.351 -1.619 -10.328 1.00 0.00 N ATOM 1599 CA PRO A 102 116.566 -2.278 -10.787 1.00 0.00 C ATOM 1600 C PRO A 102 117.680 -2.242 -9.757 1.00 0.00 C ATOM 1601 O PRO A 102 117.888 -1.231 -9.090 1.00 0.00 O ATOM 1602 CB PRO A 102 116.986 -1.471 -12.023 1.00 0.00 C ATOM 1603 CG PRO A 102 115.761 -0.758 -12.453 1.00 0.00 C ATOM 1604 CD PRO A 102 114.968 -0.504 -11.211 1.00 0.00 C ATOM 0 HA PRO A 102 116.383 -3.334 -10.986 1.00 0.00 H new ATOM 0 HB2 PRO A 102 117.786 -0.771 -11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 102 117.360 -2.124 -12.812 1.00 0.00 H new ATOM 0 HG2 PRO A 102 116.011 0.178 -12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 102 115.191 -1.357 -13.163 1.00 0.00 H new ATOM 0 HD2 PRO A 102 115.213 0.462 -10.768 1.00 0.00 H new ATOM 0 HD3 PRO A 102 113.897 -0.500 -11.412 1.00 0.00 H new ATOM 1612 N LEU A 103 118.367 -3.349 -9.626 1.00 0.00 N ATOM 1613 CA LEU A 103 119.534 -3.443 -8.787 1.00 0.00 C ATOM 1614 C LEU A 103 120.709 -3.275 -9.778 1.00 0.00 C ATOM 1615 O LEU A 103 121.179 -4.259 -10.368 1.00 0.00 O ATOM 1616 CB LEU A 103 119.571 -4.854 -8.108 1.00 0.00 C ATOM 1617 CG LEU A 103 120.321 -5.015 -6.755 1.00 0.00 C ATOM 1618 CD1 LEU A 103 121.751 -4.529 -6.790 1.00 0.00 C ATOM 1619 CD2 LEU A 103 119.563 -4.355 -5.630 1.00 0.00 C ATOM 0 H LEU A 103 118.129 -4.218 -10.104 1.00 0.00 H new ATOM 0 HA LEU A 103 119.561 -2.705 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 103 118.540 -5.173 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 103 120.018 -5.550 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 103 120.368 -6.088 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 103 122.209 -4.674 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 103 122.309 -5.092 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 103 121.769 -3.470 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 103 120.111 -4.484 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 103 119.451 -3.292 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.578 -4.812 -5.538 1.00 0.00 H new ATOM 1631 N PRO A 104 121.192 -2.030 -9.995 1.00 0.00 N ATOM 1632 CA PRO A 104 122.137 -1.716 -11.065 1.00 0.00 C ATOM 1633 C PRO A 104 123.596 -1.880 -10.660 1.00 0.00 C ATOM 1634 O PRO A 104 124.509 -1.317 -11.287 1.00 0.00 O ATOM 1635 CB PRO A 104 121.821 -0.248 -11.379 1.00 0.00 C ATOM 1636 CG PRO A 104 121.212 0.322 -10.121 1.00 0.00 C ATOM 1637 CD PRO A 104 120.894 -0.833 -9.190 1.00 0.00 C ATOM 0 HA PRO A 104 122.024 -2.393 -11.912 1.00 0.00 H new ATOM 0 HB2 PRO A 104 122.724 0.295 -11.657 1.00 0.00 H new ATOM 0 HB3 PRO A 104 121.130 -0.168 -12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 104 121.903 1.017 -9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 104 120.307 0.883 -10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 104 121.503 -0.797 -8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 104 119.851 -0.815 -8.872 1.00 0.00 H new ATOM 1645 N PHE A 105 123.802 -2.637 -9.633 1.00 0.00 N ATOM 1646 CA PHE A 105 125.104 -2.919 -9.093 1.00 0.00 C ATOM 1647 C PHE A 105 125.074 -4.358 -8.659 1.00 0.00 C ATOM 1648 O PHE A 105 124.040 -5.016 -8.824 1.00 0.00 O ATOM 1649 CB PHE A 105 125.400 -2.005 -7.881 1.00 0.00 C ATOM 1650 CG PHE A 105 125.424 -0.531 -8.201 1.00 0.00 C ATOM 1651 CD1 PHE A 105 126.523 0.037 -8.822 1.00 0.00 C ATOM 1652 CD2 PHE A 105 124.341 0.280 -7.899 1.00 0.00 C ATOM 1653 CE1 PHE A 105 126.545 1.385 -9.130 1.00 0.00 C ATOM 1654 CE2 PHE A 105 124.356 1.625 -8.208 1.00 0.00 C ATOM 1655 CZ PHE A 105 125.459 2.178 -8.823 1.00 0.00 C ATOM 0 H PHE A 105 123.046 -3.095 -9.124 1.00 0.00 H new ATOM 0 HA PHE A 105 125.884 -2.738 -9.833 1.00 0.00 H new ATOM 0 HB2 PHE A 105 124.647 -2.185 -7.114 1.00 0.00 H new ATOM 0 HB3 PHE A 105 126.363 -2.287 -7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 105 127.374 -0.580 -9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 105 123.474 -0.146 -7.416 1.00 0.00 H new ATOM 0 HE1 PHE A 105 127.411 1.816 -9.610 1.00 0.00 H new ATOM 0 HE2 PHE A 105 123.504 2.244 -7.968 1.00 0.00 H new ATOM 0 HZ PHE A 105 125.473 3.231 -9.064 1.00 0.00 H new ATOM 1665 N ASP A 106 126.157 -4.869 -8.145 1.00 0.00 N ATOM 1666 CA ASP A 106 126.138 -6.223 -7.635 1.00 0.00 C ATOM 1667 C ASP A 106 125.517 -6.208 -6.280 1.00 0.00 C ATOM 1668 O ASP A 106 125.702 -5.260 -5.513 1.00 0.00 O ATOM 1669 CB ASP A 106 127.523 -6.836 -7.500 1.00 0.00 C ATOM 1670 CG ASP A 106 128.273 -6.979 -8.797 1.00 0.00 C ATOM 1671 OD1 ASP A 106 128.041 -7.960 -9.515 1.00 0.00 O ATOM 1672 OD2 ASP A 106 129.126 -6.131 -9.107 1.00 0.00 O ATOM 0 H ASP A 106 127.051 -4.385 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 106 125.576 -6.824 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 106 128.113 -6.222 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 106 127.428 -7.820 -7.040 1.00 0.00 H new ATOM 1677 N PRO A 107 124.805 -7.259 -5.928 1.00 0.00 N ATOM 1678 CA PRO A 107 124.153 -7.393 -4.651 1.00 0.00 C ATOM 1679 C PRO A 107 125.066 -8.224 -3.768 1.00 0.00 C ATOM 1680 O PRO A 107 124.711 -8.680 -2.681 1.00 0.00 O ATOM 1681 CB PRO A 107 122.885 -8.204 -5.053 1.00 0.00 C ATOM 1682 CG PRO A 107 123.090 -8.541 -6.519 1.00 0.00 C ATOM 1683 CD PRO A 107 124.540 -8.453 -6.710 1.00 0.00 C ATOM 0 HA PRO A 107 123.925 -6.470 -4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 107 122.785 -9.106 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 107 121.977 -7.619 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 107 122.717 -9.538 -6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 107 122.560 -7.842 -7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 107 125.068 -9.329 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 107 124.820 -8.340 -7.757 1.00 0.00 H new ATOM 1691 N ASP A 108 126.246 -8.427 -4.303 1.00 0.00 N ATOM 1692 CA ASP A 108 127.250 -9.232 -3.735 1.00 0.00 C ATOM 1693 C ASP A 108 128.377 -8.357 -3.201 1.00 0.00 C ATOM 1694 O ASP A 108 129.078 -8.720 -2.258 1.00 0.00 O ATOM 1695 CB ASP A 108 127.784 -10.202 -4.799 1.00 0.00 C ATOM 1696 CG ASP A 108 128.878 -11.119 -4.292 1.00 0.00 C ATOM 1697 OD1 ASP A 108 128.562 -12.191 -3.744 1.00 0.00 O ATOM 1698 OD2 ASP A 108 130.074 -10.785 -4.437 1.00 0.00 O ATOM 0 H ASP A 108 126.525 -8.006 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 108 126.835 -9.804 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 108 126.959 -10.808 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 108 128.166 -9.628 -5.643 1.00 0.00 H new ATOM 1703 N ASP A 109 128.495 -7.176 -3.801 1.00 0.00 N ATOM 1704 CA ASP A 109 129.575 -6.224 -3.520 1.00 0.00 C ATOM 1705 C ASP A 109 129.383 -5.499 -2.188 1.00 0.00 C ATOM 1706 O ASP A 109 128.413 -4.746 -2.018 1.00 0.00 O ATOM 1707 CB ASP A 109 129.688 -5.202 -4.664 1.00 0.00 C ATOM 1708 CG ASP A 109 130.717 -4.117 -4.395 1.00 0.00 C ATOM 1709 OD1 ASP A 109 131.929 -4.411 -4.413 1.00 0.00 O ATOM 1710 OD2 ASP A 109 130.330 -2.949 -4.152 1.00 0.00 O ATOM 0 H ASP A 109 127.836 -6.845 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 109 130.499 -6.798 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 109 129.951 -5.724 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 109 128.715 -4.739 -4.827 1.00 0.00 H new ATOM 1715 N PRO A 110 130.282 -5.757 -1.215 1.00 0.00 N ATOM 1716 CA PRO A 110 130.276 -5.096 0.104 1.00 0.00 C ATOM 1717 C PRO A 110 130.499 -3.620 0.037 1.00 0.00 C ATOM 1718 O PRO A 110 131.096 -3.150 -0.912 1.00 0.00 O ATOM 1719 CB PRO A 110 131.527 -5.658 0.756 1.00 0.00 C ATOM 1720 CG PRO A 110 131.673 -6.991 0.166 1.00 0.00 C ATOM 1721 CD PRO A 110 131.357 -6.773 -1.283 1.00 0.00 C ATOM 0 HA PRO A 110 129.321 -5.262 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 110 132.397 -5.034 0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 110 131.421 -5.712 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 110 132.682 -7.381 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 110 130.990 -7.708 0.622 1.00 0.00 H new ATOM 0 HD2 PRO A 110 132.223 -6.414 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 110 131.022 -7.689 -1.770 1.00 0.00 H new ATOM 1729 N ASN A 111 129.962 -2.932 1.050 1.00 0.00 N ATOM 1730 CA ASN A 111 130.205 -1.546 1.474 1.00 0.00 C ATOM 1731 C ASN A 111 129.123 -1.107 2.396 1.00 0.00 C ATOM 1732 O ASN A 111 128.300 -0.245 2.067 1.00 0.00 O ATOM 1733 CB ASN A 111 130.403 -0.488 0.409 1.00 0.00 C ATOM 1734 CG ASN A 111 131.735 -0.541 -0.298 1.00 0.00 C ATOM 1735 OD1 ASN A 111 131.866 -0.082 -1.434 1.00 0.00 O ATOM 1736 ND2 ASN A 111 132.725 -1.125 0.341 1.00 0.00 N ATOM 0 H ASN A 111 129.274 -3.378 1.657 1.00 0.00 H new ATOM 0 HA ASN A 111 131.183 -1.611 1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 111 129.610 -0.587 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 111 130.290 0.494 0.868 1.00 0.00 H new ATOM 0 HD21 ASN A 111 133.639 -1.210 -0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 111 132.579 -1.493 1.281 1.00 0.00 H new ATOM 1743 N THR A 112 129.117 -1.699 3.551 1.00 0.00 N ATOM 1744 CA THR A 112 128.128 -1.402 4.539 1.00 0.00 C ATOM 1745 C THR A 112 128.540 -0.206 5.346 1.00 0.00 C ATOM 1746 O THR A 112 127.751 0.707 5.640 1.00 0.00 O ATOM 1747 CB THR A 112 127.886 -2.617 5.447 1.00 0.00 C ATOM 1748 OG1 THR A 112 127.528 -3.759 4.650 1.00 0.00 O ATOM 1749 CG2 THR A 112 126.801 -2.344 6.476 1.00 0.00 C ATOM 0 H THR A 112 129.799 -2.402 3.835 1.00 0.00 H new ATOM 0 HA THR A 112 127.192 -1.168 4.032 1.00 0.00 H new ATOM 0 HB THR A 112 128.812 -2.820 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 112 127.424 -3.486 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 112 126.660 -3.227 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 112 127.097 -1.502 7.102 1.00 0.00 H new ATOM 0 HG23 THR A 112 125.867 -2.106 5.966 1.00 0.00 H new ATOM 1757 N SER A 113 129.756 -0.178 5.638 1.00 0.00 N ATOM 1758 CA SER A 113 130.269 0.844 6.449 1.00 0.00 C ATOM 1759 C SER A 113 130.751 1.969 5.586 1.00 0.00 C ATOM 1760 O SER A 113 131.842 1.938 5.003 1.00 0.00 O ATOM 1761 CB SER A 113 131.360 0.303 7.376 1.00 0.00 C ATOM 1762 OG SER A 113 131.702 1.241 8.393 1.00 0.00 O ATOM 0 H SER A 113 130.442 -0.864 5.325 1.00 0.00 H new ATOM 0 HA SER A 113 129.482 1.234 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 113 131.019 -0.624 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 113 132.247 0.061 6.791 1.00 0.00 H new ATOM 0 HG SER A 113 132.400 0.861 8.967 1.00 0.00 H new ATOM 1768 N LEU A 114 129.905 2.944 5.492 1.00 0.00 N ATOM 1769 CA LEU A 114 130.180 4.171 4.842 1.00 0.00 C ATOM 1770 C LEU A 114 129.941 5.206 5.862 1.00 0.00 C ATOM 1771 O LEU A 114 128.811 5.486 6.206 1.00 0.00 O ATOM 1772 CB LEU A 114 129.209 4.398 3.686 1.00 0.00 C ATOM 1773 CG LEU A 114 129.150 3.318 2.625 1.00 0.00 C ATOM 1774 CD1 LEU A 114 128.241 3.730 1.490 1.00 0.00 C ATOM 1775 CD2 LEU A 114 130.533 3.004 2.137 1.00 0.00 C ATOM 0 H LEU A 114 128.965 2.898 5.885 1.00 0.00 H new ATOM 0 HA LEU A 114 131.193 4.187 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 114 128.209 4.522 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 114 129.472 5.338 3.201 1.00 0.00 H new ATOM 0 HG LEU A 114 128.730 2.413 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 114 128.214 2.939 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 114 127.235 3.901 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 114 128.617 4.647 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 114 130.482 2.227 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 114 130.981 3.902 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 114 131.142 2.655 2.971 1.00 0.00 H new ATOM 1787 N VAL A 115 130.954 5.743 6.374 1.00 0.00 N ATOM 1788 CA VAL A 115 130.793 6.712 7.393 1.00 0.00 C ATOM 1789 C VAL A 115 130.864 8.063 6.782 1.00 0.00 C ATOM 1790 O VAL A 115 131.819 8.380 6.074 1.00 0.00 O ATOM 1791 CB VAL A 115 131.829 6.524 8.515 1.00 0.00 C ATOM 1792 CG1 VAL A 115 131.682 7.605 9.580 1.00 0.00 C ATOM 1793 CG2 VAL A 115 131.654 5.131 9.128 1.00 0.00 C ATOM 0 H VAL A 115 131.919 5.538 6.114 1.00 0.00 H new ATOM 0 HA VAL A 115 129.817 6.591 7.863 1.00 0.00 H new ATOM 0 HB VAL A 115 132.831 6.613 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 115 132.426 7.449 10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 115 131.831 8.585 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 115 130.683 7.555 10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 115 132.385 4.990 9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 115 130.648 5.037 9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 115 131.804 4.373 8.359 1.00 0.00 H new ATOM 1803 N THR A 116 129.835 8.839 6.994 1.00 0.00 N ATOM 1804 CA THR A 116 129.786 10.134 6.428 1.00 0.00 C ATOM 1805 C THR A 116 130.800 11.017 7.144 1.00 0.00 C ATOM 1806 O THR A 116 131.069 10.851 8.349 1.00 0.00 O ATOM 1807 CB THR A 116 128.349 10.748 6.464 1.00 0.00 C ATOM 1808 OG1 THR A 116 128.304 11.952 5.691 1.00 0.00 O ATOM 1809 CG2 THR A 116 127.916 11.062 7.880 1.00 0.00 C ATOM 0 H THR A 116 129.024 8.584 7.558 1.00 0.00 H new ATOM 0 HA THR A 116 130.045 10.067 5.371 1.00 0.00 H new ATOM 0 HB THR A 116 127.669 10.007 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 116 127.399 12.326 5.720 1.00 0.00 H new ATOM 0 HG21 THR A 116 126.913 11.487 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 116 127.915 10.147 8.472 1.00 0.00 H new ATOM 0 HG23 THR A 116 128.608 11.779 8.322 1.00 0.00 H new ATOM 1817 N SER A 117 131.379 11.875 6.413 1.00 0.00 N ATOM 1818 CA SER A 117 132.383 12.734 6.909 1.00 0.00 C ATOM 1819 C SER A 117 131.805 14.121 6.930 1.00 0.00 C ATOM 1820 O SER A 117 130.860 14.426 6.184 1.00 0.00 O ATOM 1821 CB SER A 117 133.614 12.650 5.989 1.00 0.00 C ATOM 1822 OG SER A 117 134.695 13.424 6.474 1.00 0.00 O ATOM 0 H SER A 117 131.167 12.009 5.424 1.00 0.00 H new ATOM 0 HA SER A 117 132.701 12.455 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 117 133.926 11.610 5.896 1.00 0.00 H new ATOM 0 HB3 SER A 117 133.343 12.992 4.990 1.00 0.00 H new ATOM 0 HG SER A 117 135.456 13.342 5.862 1.00 0.00 H new ATOM 1828 N VAL A 118 132.336 14.948 7.748 1.00 0.00 N ATOM 1829 CA VAL A 118 131.838 16.266 7.883 1.00 0.00 C ATOM 1830 C VAL A 118 132.593 17.214 6.966 1.00 0.00 C ATOM 1831 O VAL A 118 133.730 17.595 7.219 1.00 0.00 O ATOM 1832 CB VAL A 118 131.849 16.731 9.371 1.00 0.00 C ATOM 1833 CG1 VAL A 118 133.203 16.479 10.019 1.00 0.00 C ATOM 1834 CG2 VAL A 118 131.435 18.199 9.504 1.00 0.00 C ATOM 0 H VAL A 118 133.133 14.731 8.347 1.00 0.00 H new ATOM 0 HA VAL A 118 130.794 16.277 7.571 1.00 0.00 H new ATOM 0 HB VAL A 118 131.110 16.133 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 118 133.178 16.814 11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 118 133.429 15.413 9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 118 133.973 17.029 9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 118 131.454 18.489 10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 118 132.129 18.825 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 118 130.427 18.330 9.110 1.00 0.00 H new ATOM 1844 N ALA A 119 131.968 17.530 5.870 1.00 0.00 N ATOM 1845 CA ALA A 119 132.494 18.475 4.928 1.00 0.00 C ATOM 1846 C ALA A 119 131.351 19.363 4.507 1.00 0.00 C ATOM 1847 O ALA A 119 130.824 19.267 3.404 1.00 0.00 O ATOM 1848 CB ALA A 119 133.105 17.744 3.737 1.00 0.00 C ATOM 0 H ALA A 119 131.067 17.134 5.601 1.00 0.00 H new ATOM 0 HA ALA A 119 133.288 19.077 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 119 133.501 18.471 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 119 133.911 17.097 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 119 132.340 17.141 3.249 1.00 0.00 H new ATOM 1854 N ILE A 120 130.972 20.227 5.400 1.00 0.00 N ATOM 1855 CA ILE A 120 129.814 21.075 5.220 1.00 0.00 C ATOM 1856 C ILE A 120 130.260 22.534 5.025 1.00 0.00 C ATOM 1857 O ILE A 120 129.469 23.410 4.643 1.00 0.00 O ATOM 1858 CB ILE A 120 128.867 20.944 6.467 1.00 0.00 C ATOM 1859 CG1 ILE A 120 128.501 19.461 6.731 1.00 0.00 C ATOM 1860 CG2 ILE A 120 127.592 21.773 6.318 1.00 0.00 C ATOM 1861 CD1 ILE A 120 127.751 18.774 5.599 1.00 0.00 C ATOM 0 H ILE A 120 131.457 20.371 6.286 1.00 0.00 H new ATOM 0 HA ILE A 120 129.266 20.762 4.331 1.00 0.00 H new ATOM 0 HB ILE A 120 129.421 21.336 7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 120 129.418 18.906 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 120 127.894 19.407 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 120 126.971 21.649 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 120 127.853 22.825 6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 120 127.041 21.438 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 120 127.540 17.741 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 120 126.814 19.299 5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 120 128.362 18.789 4.696 1.00 0.00 H new ATOM 1873 N LEU A 121 131.529 22.788 5.241 1.00 0.00 N ATOM 1874 CA LEU A 121 132.043 24.115 5.121 1.00 0.00 C ATOM 1875 C LEU A 121 133.261 24.155 4.280 1.00 0.00 C ATOM 1876 O LEU A 121 133.890 23.124 4.020 1.00 0.00 O ATOM 1877 CB LEU A 121 132.328 24.722 6.487 1.00 0.00 C ATOM 1878 CG LEU A 121 131.126 25.300 7.210 1.00 0.00 C ATOM 1879 CD1 LEU A 121 131.528 25.763 8.593 1.00 0.00 C ATOM 1880 CD2 LEU A 121 130.575 26.468 6.403 1.00 0.00 C ATOM 0 H LEU A 121 132.220 22.084 5.501 1.00 0.00 H new ATOM 0 HA LEU A 121 131.273 24.711 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 121 132.776 23.955 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 121 133.071 25.510 6.367 1.00 0.00 H new ATOM 0 HG LEU A 121 130.356 24.535 7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 121 130.659 26.177 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 121 131.916 24.918 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 121 132.299 26.529 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 121 129.710 26.889 6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.344 27.234 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.276 26.118 5.415 1.00 0.00 H new ATOM 1892 N ASP A 122 133.586 25.337 3.864 1.00 0.00 N ATOM 1893 CA ASP A 122 134.740 25.592 3.074 1.00 0.00 C ATOM 1894 C ASP A 122 135.823 26.093 3.968 1.00 0.00 C ATOM 1895 O ASP A 122 135.814 27.244 4.404 1.00 0.00 O ATOM 1896 CB ASP A 122 134.449 26.617 1.990 1.00 0.00 C ATOM 1897 CG ASP A 122 133.567 26.102 0.878 1.00 0.00 C ATOM 1898 OD1 ASP A 122 134.043 25.319 0.028 1.00 0.00 O ATOM 1899 OD2 ASP A 122 132.374 26.481 0.820 1.00 0.00 O ATOM 0 H ASP A 122 133.039 26.172 4.072 1.00 0.00 H new ATOM 0 HA ASP A 122 135.048 24.669 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 122 133.973 27.486 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 122 135.393 26.957 1.563 1.00 0.00 H new ATOM 1904 N LYS A 123 136.720 25.229 4.281 1.00 0.00 N ATOM 1905 CA LYS A 123 137.806 25.537 5.134 1.00 0.00 C ATOM 1906 C LYS A 123 138.969 25.962 4.295 1.00 0.00 C ATOM 1907 O LYS A 123 139.245 25.379 3.239 1.00 0.00 O ATOM 1908 CB LYS A 123 138.226 24.351 6.034 1.00 0.00 C ATOM 1909 CG LYS A 123 137.163 23.826 7.022 1.00 0.00 C ATOM 1910 CD LYS A 123 136.031 23.044 6.348 1.00 0.00 C ATOM 1911 CE LYS A 123 136.555 21.810 5.624 1.00 0.00 C ATOM 1912 NZ LYS A 123 135.495 21.042 4.962 1.00 0.00 N ATOM 0 H LYS A 123 136.718 24.267 3.943 1.00 0.00 H new ATOM 0 HA LYS A 123 137.484 26.338 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 123 138.531 23.526 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 123 139.104 24.651 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 123 137.648 23.185 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 123 136.737 24.669 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 123 135.299 22.743 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 123 135.514 23.690 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 123 137.292 22.116 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 123 137.070 21.168 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 135.891 20.540 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 135.097 20.352 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 134.745 21.688 4.644 1.00 0.00 H new ATOM 1926 N GLU A 124 139.583 26.989 4.719 1.00 0.00 N ATOM 1927 CA GLU A 124 140.759 27.516 4.082 1.00 0.00 C ATOM 1928 C GLU A 124 142.000 26.865 4.709 1.00 0.00 C ATOM 1929 O GLU A 124 142.287 27.076 5.889 1.00 0.00 O ATOM 1930 CB GLU A 124 140.775 29.051 4.203 1.00 0.00 C ATOM 1931 CG GLU A 124 140.446 29.562 5.597 1.00 0.00 C ATOM 1932 CD GLU A 124 140.573 31.044 5.728 1.00 0.00 C ATOM 1933 OE1 GLU A 124 139.634 31.777 5.358 1.00 0.00 O ATOM 1934 OE2 GLU A 124 141.601 31.516 6.238 1.00 0.00 O ATOM 0 H GLU A 124 139.289 27.516 5.541 1.00 0.00 H new ATOM 0 HA GLU A 124 140.758 27.280 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 124 141.760 29.418 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 124 140.059 29.469 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 124 139.428 29.267 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 124 141.108 29.082 6.318 1.00 0.00 H new ATOM 1941 N PRO A 125 142.715 26.030 3.946 1.00 0.00 N ATOM 1942 CA PRO A 125 143.864 25.285 4.458 1.00 0.00 C ATOM 1943 C PRO A 125 145.084 26.180 4.691 1.00 0.00 C ATOM 1944 O PRO A 125 145.246 27.161 3.974 1.00 0.00 O ATOM 1945 CB PRO A 125 144.150 24.262 3.357 1.00 0.00 C ATOM 1946 CG PRO A 125 143.636 24.889 2.110 1.00 0.00 C ATOM 1947 CD PRO A 125 142.463 25.738 2.518 1.00 0.00 C ATOM 1948 OXT PRO A 125 145.865 25.895 5.594 1.00 0.00 O ATOM 0 HA PRO A 125 143.655 24.835 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 125 145.217 24.050 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 125 143.650 23.315 3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 125 144.407 25.494 1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 125 143.334 24.130 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 125 142.407 26.652 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 125 141.520 25.210 2.379 1.00 0.00 H new TER 1956 PRO A 125 ATOM 1957 N ARG B 151 124.343 15.124 12.285 1.00 0.00 N ATOM 1958 CA ARG B 151 124.936 14.662 11.008 1.00 0.00 C ATOM 1959 C ARG B 151 126.128 13.713 11.212 1.00 0.00 C ATOM 1960 O ARG B 151 126.947 13.522 10.297 1.00 0.00 O ATOM 1961 CB ARG B 151 125.335 15.845 10.121 1.00 0.00 C ATOM 1962 CG ARG B 151 126.337 16.795 10.739 1.00 0.00 C ATOM 1963 CD ARG B 151 126.664 17.923 9.783 1.00 0.00 C ATOM 1964 NE ARG B 151 127.544 18.924 10.390 1.00 0.00 N ATOM 1965 CZ ARG B 151 127.409 20.254 10.225 1.00 0.00 C ATOM 1966 NH1 ARG B 151 126.436 20.743 9.441 1.00 0.00 N ATOM 1967 NH2 ARG B 151 128.245 21.085 10.834 1.00 0.00 N ATOM 0 HA ARG B 151 124.159 14.091 10.500 1.00 0.00 H new ATOM 0 HB2 ARG B 151 125.749 15.459 9.190 1.00 0.00 H new ATOM 0 HB3 ARG B 151 124.437 16.405 9.862 1.00 0.00 H new ATOM 0 HG2 ARG B 151 125.935 17.203 11.667 1.00 0.00 H new ATOM 0 HG3 ARG B 151 127.248 16.254 10.997 1.00 0.00 H new ATOM 0 HD2 ARG B 151 127.141 17.515 8.892 1.00 0.00 H new ATOM 0 HD3 ARG B 151 125.740 18.402 9.459 1.00 0.00 H new ATOM 0 HE ARG B 151 128.310 18.592 10.976 1.00 0.00 H new ATOM 0 HH11 ARG B 151 125.795 20.107 8.967 1.00 0.00 H new ATOM 0 HH12 ARG B 151 126.338 21.751 9.319 1.00 0.00 H new ATOM 0 HH21 ARG B 151 128.989 20.717 11.426 1.00 0.00 H new ATOM 0 HH22 ARG B 151 128.144 22.092 10.710 1.00 0.00 H new ATOM 1983 N SER B 152 126.246 13.138 12.385 1.00 0.00 N ATOM 1984 CA SER B 152 127.262 12.168 12.642 1.00 0.00 C ATOM 1985 C SER B 152 126.610 10.812 12.433 1.00 0.00 C ATOM 1986 O SER B 152 125.681 10.430 13.166 1.00 0.00 O ATOM 1987 CB SER B 152 127.795 12.324 14.077 1.00 0.00 C ATOM 1988 OG SER B 152 128.909 11.476 14.328 1.00 0.00 O ATOM 0 H SER B 152 125.638 13.334 13.180 1.00 0.00 H new ATOM 0 HA SER B 152 128.119 12.289 11.979 1.00 0.00 H new ATOM 0 HB2 SER B 152 128.084 13.361 14.245 1.00 0.00 H new ATOM 0 HB3 SER B 152 126.999 12.096 14.786 1.00 0.00 H new ATOM 0 HG SER B 152 129.218 11.606 15.249 1.00 0.00 H new ATOM 1994 N SER B 153 127.010 10.124 11.408 1.00 0.00 N ATOM 1995 CA SER B 153 126.382 8.887 11.063 1.00 0.00 C ATOM 1996 C SER B 153 127.375 7.891 10.504 1.00 0.00 C ATOM 1997 O SER B 153 128.047 8.146 9.477 1.00 0.00 O ATOM 1998 CB SER B 153 125.254 9.145 10.054 1.00 0.00 C ATOM 1999 OG SER B 153 124.288 10.043 10.599 1.00 0.00 O ATOM 0 H SER B 153 127.774 10.401 10.792 1.00 0.00 H new ATOM 0 HA SER B 153 125.965 8.453 11.972 1.00 0.00 H new ATOM 0 HB2 SER B 153 125.668 9.562 9.136 1.00 0.00 H new ATOM 0 HB3 SER B 153 124.774 8.203 9.788 1.00 0.00 H new ATOM 0 HG SER B 153 123.577 10.197 9.942 1.00 0.00 H new ATOM 2005 N ARG B 154 127.498 6.784 11.180 1.00 0.00 N ATOM 2006 CA ARG B 154 128.305 5.722 10.691 1.00 0.00 C ATOM 2007 C ARG B 154 127.431 4.831 9.852 1.00 0.00 C ATOM 2008 O ARG B 154 126.226 4.766 10.102 1.00 0.00 O ATOM 2009 CB ARG B 154 129.048 4.957 11.836 1.00 0.00 C ATOM 2010 CG ARG B 154 128.198 4.267 12.936 1.00 0.00 C ATOM 2011 CD ARG B 154 127.451 3.024 12.445 1.00 0.00 C ATOM 2012 NE ARG B 154 126.779 2.294 13.529 1.00 0.00 N ATOM 2013 CZ ARG B 154 125.920 1.270 13.355 1.00 0.00 C ATOM 2014 NH1 ARG B 154 125.494 0.939 12.132 1.00 0.00 N ATOM 2015 NH2 ARG B 154 125.464 0.602 14.411 1.00 0.00 N ATOM 0 H ARG B 154 127.044 6.601 12.075 1.00 0.00 H new ATOM 0 HA ARG B 154 129.110 6.120 10.073 1.00 0.00 H new ATOM 0 HB2 ARG B 154 129.674 4.194 11.373 1.00 0.00 H new ATOM 0 HB3 ARG B 154 129.717 5.664 12.328 1.00 0.00 H new ATOM 0 HG2 ARG B 154 128.849 3.986 13.764 1.00 0.00 H new ATOM 0 HG3 ARG B 154 127.476 4.983 13.328 1.00 0.00 H new ATOM 0 HD2 ARG B 154 126.712 3.321 11.701 1.00 0.00 H new ATOM 0 HD3 ARG B 154 128.154 2.357 11.946 1.00 0.00 H new ATOM 0 HE ARG B 154 126.978 2.584 14.486 1.00 0.00 H new ATOM 0 HH11 ARG B 154 125.819 1.463 11.320 1.00 0.00 H new ATOM 0 HH12 ARG B 154 124.844 0.162 12.011 1.00 0.00 H new ATOM 0 HH21 ARG B 154 125.764 0.865 15.350 1.00 0.00 H new ATOM 0 HH22 ARG B 154 124.814 -0.173 14.282 1.00 0.00 H new ATOM 2029 N THR B 155 128.026 4.168 8.869 1.00 0.00 N ATOM 2030 CA THR B 155 127.337 3.269 7.929 1.00 0.00 C ATOM 2031 C THR B 155 126.271 3.970 7.047 1.00 0.00 C ATOM 2032 O THR B 155 125.554 4.858 7.499 1.00 0.00 O ATOM 2033 CB THR B 155 126.772 1.968 8.591 1.00 0.00 C ATOM 2034 OG1 THR B 155 125.979 2.224 9.760 1.00 0.00 O ATOM 2035 CG2 THR B 155 127.869 0.991 8.916 1.00 0.00 C ATOM 0 H THR B 155 129.028 4.237 8.692 1.00 0.00 H new ATOM 0 HA THR B 155 128.132 2.952 7.254 1.00 0.00 H new ATOM 0 HB THR B 155 126.112 1.526 7.845 1.00 0.00 H new ATOM 0 HG1 THR B 155 125.719 3.169 9.778 1.00 0.00 H new ATOM 0 HG21 THR B 155 127.439 0.100 9.374 1.00 0.00 H new ATOM 0 HG22 THR B 155 128.391 0.712 8.001 1.00 0.00 H new ATOM 0 HG23 THR B 155 128.573 1.452 9.609 1.00 0.00 H new ATOM 2043 N ARG B 156 126.214 3.590 5.781 1.00 0.00 N ATOM 2044 CA ARG B 156 125.244 4.117 4.827 1.00 0.00 C ATOM 2045 C ARG B 156 125.049 3.047 3.785 1.00 0.00 C ATOM 2046 O ARG B 156 125.847 2.090 3.764 1.00 0.00 O ATOM 2047 CB ARG B 156 125.704 5.437 4.138 1.00 0.00 C ATOM 2048 CG ARG B 156 125.991 6.605 5.080 1.00 0.00 C ATOM 2049 CD ARG B 156 126.109 7.936 4.350 1.00 0.00 C ATOM 2050 NE ARG B 156 127.266 8.033 3.439 1.00 0.00 N ATOM 2051 CZ ARG B 156 127.243 8.696 2.262 1.00 0.00 C ATOM 2052 NH1 ARG B 156 126.087 9.089 1.732 1.00 0.00 N ATOM 2053 NH2 ARG B 156 128.374 8.913 1.600 1.00 0.00 N ATOM 0 H ARG B 156 126.847 2.898 5.379 1.00 0.00 H new ATOM 0 HA ARG B 156 124.325 4.365 5.358 1.00 0.00 H new ATOM 0 HB2 ARG B 156 126.604 5.230 3.560 1.00 0.00 H new ATOM 0 HB3 ARG B 156 124.934 5.744 3.430 1.00 0.00 H new ATOM 0 HG2 ARG B 156 125.195 6.672 5.822 1.00 0.00 H new ATOM 0 HG3 ARG B 156 126.916 6.410 5.622 1.00 0.00 H new ATOM 0 HD2 ARG B 156 125.197 8.104 3.778 1.00 0.00 H new ATOM 0 HD3 ARG B 156 126.175 8.736 5.087 1.00 0.00 H new ATOM 0 HE ARG B 156 128.134 7.573 3.714 1.00 0.00 H new ATOM 0 HH11 ARG B 156 125.211 8.890 2.215 1.00 0.00 H new ATOM 0 HH12 ARG B 156 126.077 9.589 0.843 1.00 0.00 H new ATOM 0 HH21 ARG B 156 129.260 8.579 1.980 1.00 0.00 H new ATOM 0 HH22 ARG B 156 128.357 9.413 0.711 1.00 0.00 H new ATOM 2067 N ARG B 157 123.987 3.151 2.954 1.00 0.00 N ATOM 2068 CA ARG B 157 123.738 2.221 1.865 1.00 0.00 C ATOM 2069 C ARG B 157 123.201 0.883 2.370 1.00 0.00 C ATOM 2070 O ARG B 157 122.005 0.651 2.307 1.00 0.00 O ATOM 2071 CB ARG B 157 124.970 1.995 0.960 1.00 0.00 C ATOM 2072 CG ARG B 157 124.675 1.202 -0.304 1.00 0.00 C ATOM 2073 CD ARG B 157 124.000 2.067 -1.351 1.00 0.00 C ATOM 2074 NE ARG B 157 124.879 3.164 -1.762 1.00 0.00 N ATOM 2075 CZ ARG B 157 124.515 4.241 -2.464 1.00 0.00 C ATOM 2076 NH1 ARG B 157 123.275 4.378 -2.890 1.00 0.00 N ATOM 2077 NH2 ARG B 157 125.421 5.174 -2.755 1.00 0.00 N ATOM 0 H ARG B 157 123.286 3.888 3.032 1.00 0.00 H new ATOM 0 HA ARG B 157 122.972 2.696 1.252 1.00 0.00 H new ATOM 0 HB2 ARG B 157 125.384 2.964 0.680 1.00 0.00 H new ATOM 0 HB3 ARG B 157 125.737 1.474 1.532 1.00 0.00 H new ATOM 0 HG2 ARG B 157 125.603 0.797 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG B 157 124.035 0.353 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG B 157 123.738 1.460 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG B 157 123.069 2.470 -0.952 1.00 0.00 H new ATOM 0 HE ARG B 157 125.859 3.100 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG B 157 122.583 3.658 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG B 157 123.008 5.204 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG B 157 126.386 5.063 -2.442 1.00 0.00 H new ATOM 0 HH22 ARG B 157 125.150 5.999 -3.291 1.00 0.00 H new ATOM 2091 N GLU B 158 124.068 0.037 2.902 1.00 0.00 N ATOM 2092 CA GLU B 158 123.655 -1.299 3.270 1.00 0.00 C ATOM 2093 C GLU B 158 123.076 -1.355 4.666 1.00 0.00 C ATOM 2094 O GLU B 158 123.799 -1.525 5.660 1.00 0.00 O ATOM 2095 CB GLU B 158 124.768 -2.342 3.098 1.00 0.00 C ATOM 2096 CG GLU B 158 125.371 -2.412 1.698 1.00 0.00 C ATOM 2097 CD GLU B 158 126.238 -3.638 1.504 1.00 0.00 C ATOM 2098 OE1 GLU B 158 127.382 -3.684 2.017 1.00 0.00 O ATOM 2099 OE2 GLU B 158 125.782 -4.594 0.848 1.00 0.00 O ATOM 0 H GLU B 158 125.048 0.251 3.085 1.00 0.00 H new ATOM 0 HA GLU B 158 122.863 -1.561 2.568 1.00 0.00 H new ATOM 0 HB2 GLU B 158 125.564 -2.124 3.810 1.00 0.00 H new ATOM 0 HB3 GLU B 158 124.370 -3.323 3.356 1.00 0.00 H new ATOM 0 HG2 GLU B 158 124.569 -2.417 0.960 1.00 0.00 H new ATOM 0 HG3 GLU B 158 125.966 -1.517 1.516 1.00 0.00 H new ATOM 2106 N THR B 159 121.786 -1.188 4.756 1.00 0.00 N ATOM 2107 CA THR B 159 121.124 -1.305 6.032 1.00 0.00 C ATOM 2108 C THR B 159 120.756 -2.752 6.200 1.00 0.00 C ATOM 2109 O THR B 159 119.941 -3.285 5.443 1.00 0.00 O ATOM 2110 CB THR B 159 119.840 -0.429 6.152 1.00 0.00 C ATOM 2111 OG1 THR B 159 120.106 0.891 5.651 1.00 0.00 O ATOM 2112 CG2 THR B 159 119.397 -0.317 7.630 1.00 0.00 C ATOM 0 H THR B 159 121.173 -0.972 3.970 1.00 0.00 H new ATOM 0 HA THR B 159 121.803 -0.949 6.807 1.00 0.00 H new ATOM 0 HB THR B 159 119.047 -0.900 5.571 1.00 0.00 H new ATOM 0 HG1 THR B 159 119.297 1.439 5.726 1.00 0.00 H new ATOM 0 HG21 THR B 159 118.499 0.298 7.695 1.00 0.00 H new ATOM 0 HG22 THR B 159 119.185 -1.311 8.023 1.00 0.00 H new ATOM 0 HG23 THR B 159 120.194 0.142 8.215 1.00 0.00 H new ATOM 2120 N GLN B 160 121.410 -3.412 7.100 1.00 0.00 N ATOM 2121 CA GLN B 160 121.097 -4.779 7.362 1.00 0.00 C ATOM 2122 C GLN B 160 119.954 -4.792 8.326 1.00 0.00 C ATOM 2123 O GLN B 160 120.057 -4.197 9.400 1.00 0.00 O ATOM 2124 CB GLN B 160 122.294 -5.517 7.954 1.00 0.00 C ATOM 2125 CG GLN B 160 123.564 -5.430 7.120 1.00 0.00 C ATOM 2126 CD GLN B 160 124.738 -6.171 7.744 1.00 0.00 C ATOM 2127 OE1 GLN B 160 125.886 -5.766 7.585 1.00 0.00 O ATOM 2128 NE2 GLN B 160 124.480 -7.267 8.416 1.00 0.00 N ATOM 0 H GLN B 160 122.165 -3.026 7.667 1.00 0.00 H new ATOM 0 HA GLN B 160 120.835 -5.288 6.434 1.00 0.00 H new ATOM 0 HB2 GLN B 160 122.498 -5.115 8.947 1.00 0.00 H new ATOM 0 HB3 GLN B 160 122.030 -6.567 8.083 1.00 0.00 H new ATOM 0 HG2 GLN B 160 123.369 -5.839 6.128 1.00 0.00 H new ATOM 0 HG3 GLN B 160 123.833 -4.382 6.986 1.00 0.00 H new ATOM 0 HE21 GLN B 160 123.516 -7.579 8.532 1.00 0.00 H new ATOM 0 HE22 GLN B 160 125.243 -7.807 8.823 1.00 0.00 H new ATOM 2137 N VAL B 161 118.860 -5.392 7.947 1.00 0.00 N ATOM 2138 CA VAL B 161 117.699 -5.430 8.789 1.00 0.00 C ATOM 2139 C VAL B 161 117.241 -6.867 8.906 1.00 0.00 C ATOM 2140 O VAL B 161 116.742 -7.288 9.967 1.00 0.00 O ATOM 2141 CB VAL B 161 116.527 -4.512 8.283 1.00 0.00 C ATOM 2142 CG1 VAL B 161 116.987 -3.103 8.049 1.00 0.00 C ATOM 2143 CG2 VAL B 161 115.905 -5.017 7.025 1.00 0.00 C ATOM 2144 OXT VAL B 161 117.477 -7.624 7.960 1.00 0.00 O ATOM 0 H VAL B 161 118.749 -5.866 7.051 1.00 0.00 H new ATOM 0 HA VAL B 161 117.979 -5.032 9.764 1.00 0.00 H new ATOM 0 HB VAL B 161 115.782 -4.531 9.078 1.00 0.00 H new ATOM 0 HG11 VAL B 161 116.149 -2.500 7.700 1.00 0.00 H new ATOM 0 HG12 VAL B 161 117.371 -2.686 8.980 1.00 0.00 H new ATOM 0 HG13 VAL B 161 117.776 -3.098 7.297 1.00 0.00 H new ATOM 0 HG21 VAL B 161 115.102 -4.345 6.721 1.00 0.00 H new ATOM 0 HG22 VAL B 161 116.659 -5.061 6.239 1.00 0.00 H new ATOM 0 HG23 VAL B 161 115.499 -6.014 7.195 1.00 0.00 H new TER 2154 VAL B 161