USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 971 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 76 SER OG : rot 180:sc= 0.0566 USER MOD Set 1.2: A 77 ASN : amide:sc= -0.496 X(o=-0.44,f=0) USER MOD Set 2.1: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 90 GLN :FLIP amide:sc= -1.11 F(o=-6,f=-4.4) USER MOD Set 2.3: A 93 MET CE :methyl 147:sc= -3.32 (180deg=-5.48!) USER MOD Set 3.1: A 61 ASN :FLIP amide:sc= -0.901! F(o=-1.4,f=0.12!) USER MOD Set 3.2: A 66 THR OG1 : rot -170:sc= 1.02 USER MOD Set 4.1: A 15 CYS SG : rot -170:sc= -0.282 USER MOD Set 4.2: A 17 THR OG1 : rot 89:sc= 0.102 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.085 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1) USER MOD Single : A 18 MET CE :methyl -159:sc= -1.03 (180deg=-1.97) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0199) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.261 USER MOD Single : A 35 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-3.3) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.031 (180deg=-0.27) USER MOD Single : A 46 THR OG1 : rot 51:sc= 1.31 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 87 MET CE :methyl 143:sc= -3.91! (180deg=-6.31!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc=-0.00919 (180deg=-0.142) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.63) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.168 -1.976 -4.615 1.00 42.31 N ATOM 2 CA GLY A 1 2.720 -0.629 -4.310 1.00 53.12 C ATOM 3 C GLY A 1 1.332 -0.344 -4.850 1.00 15.32 C ATOM 4 O GLY A 1 0.670 -1.217 -5.412 1.00 30.13 O ATOM 0 H1 GLY A 1 3.439 -2.459 -3.735 1.00 42.31 H new ATOM 0 H2 GLY A 1 2.398 -2.502 -5.076 1.00 42.31 H new ATOM 0 H3 GLY A 1 3.988 -1.933 -5.253 1.00 42.31 H new ATOM 0 HA2 GLY A 1 2.723 -0.484 -3.230 1.00 53.12 H new ATOM 0 HA3 GLY A 1 3.425 0.089 -4.730 1.00 53.12 H new ATOM 8 N PRO A 2 0.871 0.904 -4.679 1.00 31.21 N ATOM 9 CA PRO A 2 -0.452 1.330 -5.145 1.00 52.14 C ATOM 10 C PRO A 2 -0.535 1.403 -6.666 1.00 61.23 C ATOM 11 O PRO A 2 0.457 1.192 -7.362 1.00 11.13 O ATOM 12 CB PRO A 2 -0.612 2.724 -4.533 1.00 12.20 C ATOM 13 CG PRO A 2 0.781 3.212 -4.335 1.00 2.10 C ATOM 14 CD PRO A 2 1.606 1.995 -4.017 1.00 41.33 C ATOM 0 HA PRO A 2 -1.233 0.629 -4.851 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -1.173 3.385 -5.194 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -1.155 2.682 -3.589 1.00 12.20 H new ATOM 0 HG2 PRO A 2 1.151 3.711 -5.231 1.00 2.10 H new ATOM 0 HG3 PRO A 2 0.828 3.938 -3.524 1.00 2.10 H new ATOM 0 HD2 PRO A 2 2.622 2.086 -4.401 1.00 41.33 H new ATOM 0 HD3 PRO A 2 1.685 1.832 -2.942 1.00 41.33 H new ATOM 22 N GLY A 3 -1.726 1.702 -7.176 1.00 13.22 N ATOM 23 CA GLY A 3 -1.916 1.798 -8.611 1.00 45.42 C ATOM 24 C GLY A 3 -1.441 3.124 -9.171 1.00 62.35 C ATOM 25 O GLY A 3 -2.226 3.880 -9.745 1.00 22.31 O ATOM 0 H GLY A 3 -2.563 1.879 -6.620 1.00 13.22 H new ATOM 0 HA2 GLY A 3 -1.378 0.987 -9.101 1.00 45.42 H new ATOM 0 HA3 GLY A 3 -2.973 1.666 -8.844 1.00 45.42 H new ATOM 29 N SER A 4 -0.154 3.408 -9.005 1.00 25.24 N ATOM 30 CA SER A 4 0.424 4.655 -9.494 1.00 42.22 C ATOM 31 C SER A 4 0.155 4.830 -10.986 1.00 24.33 C ATOM 32 O SER A 4 -0.498 5.786 -11.401 1.00 52.03 O ATOM 33 CB SER A 4 1.930 4.683 -9.229 1.00 72.23 C ATOM 34 OG SER A 4 2.530 3.442 -9.561 1.00 52.43 O ATOM 0 H SER A 4 0.509 2.792 -8.535 1.00 25.24 H new ATOM 0 HA SER A 4 -0.047 5.479 -8.958 1.00 42.22 H new ATOM 0 HB2 SER A 4 2.390 5.481 -9.812 1.00 72.23 H new ATOM 0 HB3 SER A 4 2.113 4.910 -8.179 1.00 72.23 H new ATOM 0 HG SER A 4 3.493 3.486 -9.384 1.00 52.43 H new ATOM 40 N MET A 5 0.664 3.898 -11.785 1.00 41.54 N ATOM 41 CA MET A 5 0.478 3.948 -13.230 1.00 62.03 C ATOM 42 C MET A 5 -0.111 2.639 -13.748 1.00 45.23 C ATOM 43 O MET A 5 0.075 1.583 -13.145 1.00 4.24 O ATOM 44 CB MET A 5 1.810 4.233 -13.927 1.00 51.55 C ATOM 45 CG MET A 5 2.790 3.073 -13.864 1.00 30.02 C ATOM 46 SD MET A 5 4.506 3.604 -14.022 1.00 52.10 S ATOM 47 CE MET A 5 4.763 3.398 -15.783 1.00 3.41 C ATOM 0 H MET A 5 1.208 3.100 -11.457 1.00 41.54 H new ATOM 0 HA MET A 5 -0.221 4.754 -13.454 1.00 62.03 H new ATOM 0 HB2 MET A 5 1.619 4.480 -14.971 1.00 51.55 H new ATOM 0 HB3 MET A 5 2.269 5.110 -13.471 1.00 51.55 H new ATOM 0 HG2 MET A 5 2.663 2.546 -12.919 1.00 30.02 H new ATOM 0 HG3 MET A 5 2.559 2.363 -14.658 1.00 30.02 H new ATOM 0 HE1 MET A 5 5.783 3.687 -16.038 1.00 3.41 H new ATOM 0 HE2 MET A 5 4.603 2.355 -16.054 1.00 3.41 H new ATOM 0 HE3 MET A 5 4.060 4.027 -16.329 1.00 3.41 H new ATOM 57 N SER A 6 -0.821 2.718 -14.869 1.00 44.34 N ATOM 58 CA SER A 6 -1.440 1.541 -15.466 1.00 64.43 C ATOM 59 C SER A 6 -0.715 1.134 -16.745 1.00 62.14 C ATOM 60 O SER A 6 -0.449 1.967 -17.613 1.00 73.31 O ATOM 61 CB SER A 6 -2.915 1.811 -15.766 1.00 31.11 C ATOM 62 OG SER A 6 -3.622 0.601 -15.976 1.00 14.24 O ATOM 0 H SER A 6 -0.982 3.585 -15.382 1.00 44.34 H new ATOM 0 HA SER A 6 -1.366 0.721 -14.751 1.00 64.43 H new ATOM 0 HB2 SER A 6 -3.364 2.359 -14.937 1.00 31.11 H new ATOM 0 HB3 SER A 6 -3.000 2.444 -16.650 1.00 31.11 H new ATOM 0 HG SER A 6 -4.563 0.800 -16.164 1.00 14.24 H new ATOM 68 N VAL A 7 -0.396 -0.152 -16.856 1.00 10.34 N ATOM 69 CA VAL A 7 0.298 -0.670 -18.029 1.00 2.44 C ATOM 70 C VAL A 7 -0.689 -1.056 -19.125 1.00 5.32 C ATOM 71 O VAL A 7 -1.786 -1.541 -18.846 1.00 24.25 O ATOM 72 CB VAL A 7 1.160 -1.896 -17.674 1.00 52.12 C ATOM 73 CG1 VAL A 7 1.849 -2.442 -18.916 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.179 -1.540 -16.603 1.00 43.52 C ATOM 0 H VAL A 7 -0.607 -0.854 -16.147 1.00 10.34 H new ATOM 0 HA VAL A 7 0.946 0.128 -18.392 1.00 2.44 H new ATOM 0 HB VAL A 7 0.507 -2.674 -17.277 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.454 -3.308 -18.646 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.098 -2.738 -19.648 1.00 54.24 H new ATOM 0 HG13 VAL A 7 2.490 -1.672 -19.345 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.779 -2.418 -16.365 1.00 43.52 H new ATOM 0 HG22 VAL A 7 2.829 -0.745 -16.969 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.661 -1.201 -15.706 1.00 43.52 H new ATOM 84 N THR A 8 -0.292 -0.836 -20.374 1.00 15.13 N ATOM 85 CA THR A 8 -1.141 -1.159 -21.513 1.00 55.12 C ATOM 86 C THR A 8 -0.655 -2.418 -22.222 1.00 32.31 C ATOM 87 O THR A 8 0.511 -2.514 -22.608 1.00 11.22 O ATOM 88 CB THR A 8 -1.189 0.001 -22.526 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.590 1.208 -21.870 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.153 -0.311 -23.660 1.00 55.11 C ATOM 0 H THR A 8 0.613 -0.435 -20.622 1.00 15.13 H new ATOM 0 HA THR A 8 -2.143 -1.330 -21.121 1.00 55.12 H new ATOM 0 HB THR A 8 -0.191 0.131 -22.944 1.00 32.32 H new ATOM 0 HG1 THR A 8 -1.616 1.941 -22.520 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.170 0.522 -24.363 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.828 -1.214 -24.176 1.00 55.11 H new ATOM 0 HG23 THR A 8 -3.153 -0.465 -23.255 1.00 55.11 H new ATOM 98 N ILE A 9 -1.555 -3.382 -22.391 1.00 40.31 N ATOM 99 CA ILE A 9 -1.216 -4.634 -23.056 1.00 3.44 C ATOM 100 C ILE A 9 -1.984 -4.786 -24.364 1.00 62.44 C ATOM 101 O ILE A 9 -3.177 -4.490 -24.435 1.00 5.32 O ATOM 102 CB ILE A 9 -1.513 -5.848 -22.155 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.199 -7.148 -22.896 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.964 -5.827 -21.700 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.416 -8.388 -22.056 1.00 32.30 C ATOM 0 H ILE A 9 -2.523 -3.320 -22.077 1.00 40.31 H new ATOM 0 HA ILE A 9 -0.147 -4.601 -23.267 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.876 -5.792 -21.272 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.823 -7.209 -23.788 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.163 -7.124 -23.233 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.159 -6.691 -21.064 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -3.156 -4.913 -21.139 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.619 -5.862 -22.571 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.174 -9.273 -22.645 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.772 -8.349 -21.177 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.458 -8.436 -21.740 1.00 32.30 H new ATOM 117 N TYR A 10 -1.292 -5.253 -25.399 1.00 4.54 N ATOM 118 CA TYR A 10 -1.908 -5.444 -26.706 1.00 30.24 C ATOM 119 C TYR A 10 -2.085 -6.929 -27.012 1.00 22.21 C ATOM 120 O TYR A 10 -1.342 -7.771 -26.509 1.00 41.11 O ATOM 121 CB TYR A 10 -1.060 -4.785 -27.795 1.00 22.32 C ATOM 122 CG TYR A 10 -0.996 -3.278 -27.684 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.275 -2.666 -26.667 1.00 15.21 C ATOM 124 CD2 TYR A 10 -1.658 -2.467 -28.598 1.00 54.11 C ATOM 125 CE1 TYR A 10 -0.217 -1.290 -26.561 1.00 22.30 C ATOM 126 CE2 TYR A 10 -1.604 -1.090 -28.501 1.00 20.31 C ATOM 127 CZ TYR A 10 -0.882 -0.506 -27.481 1.00 60.44 C ATOM 128 OH TYR A 10 -0.824 0.864 -27.380 1.00 41.33 O ATOM 0 H TYR A 10 -0.305 -5.506 -25.357 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.892 -4.975 -26.688 1.00 30.24 H new ATOM 0 HB2 TYR A 10 -0.048 -5.188 -27.749 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -1.465 -5.052 -28.771 1.00 22.32 H new ATOM 0 HD1 TYR A 10 0.249 -3.276 -25.947 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -2.224 -2.921 -29.398 1.00 54.11 H new ATOM 0 HE1 TYR A 10 0.346 -0.830 -25.762 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -2.124 -0.474 -29.220 1.00 20.31 H new ATOM 0 HH TYR A 10 -1.345 1.268 -28.105 1.00 41.33 H new ATOM 138 N GLY A 11 -3.075 -7.242 -27.842 1.00 41.24 N ATOM 139 CA GLY A 11 -3.332 -8.624 -28.203 1.00 3.41 C ATOM 140 C GLY A 11 -4.417 -8.756 -29.253 1.00 42.14 C ATOM 141 O GLY A 11 -4.840 -7.763 -29.846 1.00 61.14 O ATOM 0 H GLY A 11 -3.704 -6.563 -28.271 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.413 -9.076 -28.576 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.623 -9.181 -27.312 1.00 3.41 H new ATOM 145 N ILE A 12 -4.866 -9.985 -29.486 1.00 0.23 N ATOM 146 CA ILE A 12 -5.907 -10.243 -30.473 1.00 21.20 C ATOM 147 C ILE A 12 -7.099 -10.955 -29.842 1.00 0.25 C ATOM 148 O ILE A 12 -7.076 -11.297 -28.658 1.00 72.24 O ATOM 149 CB ILE A 12 -5.376 -11.093 -31.642 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.841 -12.431 -31.127 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.293 -10.339 -32.396 1.00 63.31 C ATOM 152 CD1 ILE A 12 -3.390 -12.380 -30.706 1.00 42.40 C ATOM 0 H ILE A 12 -4.525 -10.817 -29.005 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.227 -9.273 -30.855 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.198 -11.292 -32.329 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -5.446 -12.753 -30.279 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -4.958 -13.184 -31.906 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -3.928 -10.953 -33.219 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.704 -9.410 -32.791 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.469 -10.112 -31.719 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -3.079 -13.363 -30.352 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -2.774 -12.089 -31.557 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.269 -11.651 -29.905 1.00 42.40 H new ATOM 164 N LYS A 13 -8.139 -11.175 -30.638 1.00 73.52 N ATOM 165 CA LYS A 13 -9.340 -11.849 -30.159 1.00 71.53 C ATOM 166 C LYS A 13 -9.283 -13.344 -30.461 1.00 42.41 C ATOM 167 O LYS A 13 -9.905 -14.150 -29.771 1.00 70.40 O ATOM 168 CB LYS A 13 -10.585 -11.236 -30.804 1.00 10.01 C ATOM 169 CG LYS A 13 -11.888 -11.829 -30.295 1.00 12.21 C ATOM 170 CD LYS A 13 -13.093 -11.110 -30.880 1.00 11.45 C ATOM 171 CE LYS A 13 -13.537 -11.741 -32.190 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.902 -11.296 -32.585 1.00 71.14 N ATOM 0 H LYS A 13 -8.175 -10.896 -31.619 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.394 -11.716 -29.079 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.588 -10.162 -30.620 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.530 -11.374 -31.884 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -11.933 -12.887 -30.554 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.918 -11.765 -29.207 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -13.916 -11.136 -30.165 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.847 -10.061 -31.045 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -12.829 -11.481 -32.977 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.523 -12.827 -32.094 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -15.168 -11.748 -33.483 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -15.582 -11.566 -31.846 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.910 -10.263 -32.702 1.00 71.14 H new ATOM 186 N ASN A 14 -8.530 -13.706 -31.496 1.00 14.55 N ATOM 187 CA ASN A 14 -8.391 -15.104 -31.887 1.00 43.33 C ATOM 188 C ASN A 14 -7.045 -15.663 -31.438 1.00 4.54 C ATOM 189 O ASN A 14 -6.167 -15.932 -32.259 1.00 13.15 O ATOM 190 CB ASN A 14 -8.534 -15.247 -33.404 1.00 12.44 C ATOM 191 CG ASN A 14 -8.813 -16.676 -33.827 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.484 -17.425 -33.117 1.00 11.24 O ATOM 193 ND2 ASN A 14 -8.296 -17.061 -34.987 1.00 4.23 N ATOM 0 H ASN A 14 -8.008 -13.051 -32.078 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.182 -15.673 -31.398 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -9.342 -14.604 -33.752 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.620 -14.900 -33.886 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -8.449 -18.012 -35.323 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -7.746 -16.406 -35.543 1.00 4.23 H new ATOM 200 N CYS A 15 -6.889 -15.836 -30.129 1.00 13.42 N ATOM 201 CA CYS A 15 -5.651 -16.363 -29.570 1.00 5.12 C ATOM 202 C CYS A 15 -5.895 -16.987 -28.199 1.00 45.42 C ATOM 203 O CYS A 15 -6.688 -16.476 -27.407 1.00 62.11 O ATOM 204 CB CYS A 15 -4.604 -15.253 -29.459 1.00 22.14 C ATOM 205 SG CYS A 15 -3.062 -15.769 -28.668 1.00 2.24 S ATOM 0 H CYS A 15 -7.605 -15.619 -29.436 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.280 -17.138 -30.241 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.380 -14.879 -30.458 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.029 -14.423 -28.895 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.325 -14.724 -28.431 1.00 2.24 H new ATOM 211 N ASP A 16 -5.210 -18.092 -27.928 1.00 14.03 N ATOM 212 CA ASP A 16 -5.354 -18.786 -26.653 1.00 11.23 C ATOM 213 C ASP A 16 -4.359 -18.249 -25.628 1.00 34.34 C ATOM 214 O ASP A 16 -4.668 -18.152 -24.439 1.00 45.12 O ATOM 215 CB ASP A 16 -5.150 -20.290 -26.841 1.00 50.21 C ATOM 216 CG ASP A 16 -3.862 -20.613 -27.572 1.00 54.43 C ATOM 217 OD1 ASP A 16 -2.809 -20.708 -26.908 1.00 34.04 O ATOM 218 OD2 ASP A 16 -3.906 -20.769 -28.812 1.00 34.14 O ATOM 0 H ASP A 16 -4.550 -18.526 -28.573 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.363 -18.608 -26.282 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.143 -20.777 -25.866 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -5.993 -20.701 -27.397 1.00 50.21 H new ATOM 223 N THR A 17 -3.164 -17.903 -26.095 1.00 62.21 N ATOM 224 CA THR A 17 -2.123 -17.380 -25.219 1.00 10.24 C ATOM 225 C THR A 17 -2.644 -16.217 -24.381 1.00 43.54 C ATOM 226 O THR A 17 -2.385 -16.140 -23.181 1.00 32.13 O ATOM 227 CB THR A 17 -0.897 -16.909 -26.022 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.663 -17.796 -27.123 1.00 51.14 O ATOM 229 CG2 THR A 17 0.341 -16.854 -25.140 1.00 13.05 C ATOM 0 H THR A 17 -2.893 -17.976 -27.076 1.00 62.21 H new ATOM 0 HA THR A 17 -1.825 -18.196 -24.560 1.00 10.24 H new ATOM 0 HB THR A 17 -1.101 -15.906 -26.398 1.00 64.53 H new ATOM 0 HG1 THR A 17 -1.169 -17.489 -27.904 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.194 -16.519 -25.730 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.172 -16.158 -24.319 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.546 -17.846 -24.738 1.00 13.05 H new ATOM 237 N MET A 18 -3.378 -15.313 -25.023 1.00 61.22 N ATOM 238 CA MET A 18 -3.936 -14.155 -24.336 1.00 4.42 C ATOM 239 C MET A 18 -4.716 -14.582 -23.096 1.00 72.34 C ATOM 240 O MET A 18 -4.675 -13.914 -22.063 1.00 54.40 O ATOM 241 CB MET A 18 -4.846 -13.365 -25.278 1.00 41.43 C ATOM 242 CG MET A 18 -4.110 -12.747 -26.456 1.00 42.31 C ATOM 243 SD MET A 18 -2.914 -11.496 -25.948 1.00 61.21 S ATOM 244 CE MET A 18 -3.967 -10.370 -25.038 1.00 35.43 C ATOM 0 H MET A 18 -3.600 -15.361 -26.017 1.00 61.22 H new ATOM 0 HA MET A 18 -3.109 -13.517 -24.022 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.627 -14.025 -25.654 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.341 -12.574 -24.714 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.596 -13.532 -27.011 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.833 -12.298 -27.136 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.490 -9.391 -24.981 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.926 -10.277 -25.547 1.00 35.43 H new ATOM 0 HE3 MET A 18 -4.126 -10.755 -24.031 1.00 35.43 H new ATOM 254 N LYS A 19 -5.427 -15.699 -23.207 1.00 34.45 N ATOM 255 CA LYS A 19 -6.218 -16.217 -22.096 1.00 44.21 C ATOM 256 C LYS A 19 -5.337 -16.484 -20.880 1.00 43.12 C ATOM 257 O LYS A 19 -5.630 -16.027 -19.775 1.00 22.52 O ATOM 258 CB LYS A 19 -6.937 -17.502 -22.510 1.00 42.21 C ATOM 259 CG LYS A 19 -8.044 -17.915 -21.555 1.00 0.44 C ATOM 260 CD LYS A 19 -9.158 -18.653 -22.278 1.00 30.12 C ATOM 261 CE LYS A 19 -10.368 -18.854 -21.379 1.00 54.50 C ATOM 262 NZ LYS A 19 -10.052 -19.716 -20.207 1.00 12.14 N ATOM 0 H LYS A 19 -5.472 -16.263 -24.055 1.00 34.45 H new ATOM 0 HA LYS A 19 -6.959 -15.464 -21.828 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.359 -17.367 -23.506 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.208 -18.310 -22.579 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -7.632 -18.553 -20.773 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.451 -17.031 -21.064 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.452 -18.092 -23.165 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -8.792 -19.621 -22.620 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.727 -17.885 -21.031 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -11.177 -19.305 -21.954 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -10.921 -19.898 -19.666 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -9.654 -20.618 -20.537 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -9.360 -19.234 -19.598 1.00 12.14 H new ATOM 276 N LYS A 20 -4.254 -17.225 -21.091 1.00 34.44 N ATOM 277 CA LYS A 20 -3.327 -17.552 -20.013 1.00 13.54 C ATOM 278 C LYS A 20 -2.712 -16.287 -19.423 1.00 54.33 C ATOM 279 O LYS A 20 -2.690 -16.105 -18.206 1.00 71.32 O ATOM 280 CB LYS A 20 -2.223 -18.479 -20.525 1.00 51.40 C ATOM 281 CG LYS A 20 -2.747 -19.738 -21.193 1.00 41.13 C ATOM 282 CD LYS A 20 -3.647 -20.530 -20.261 1.00 21.45 C ATOM 283 CE LYS A 20 -3.900 -21.933 -20.790 1.00 33.50 C ATOM 284 NZ LYS A 20 -4.826 -21.928 -21.957 1.00 30.33 N ATOM 0 H LYS A 20 -3.996 -17.611 -21.999 1.00 34.44 H new ATOM 0 HA LYS A 20 -3.886 -18.063 -19.229 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.602 -17.933 -21.235 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.581 -18.761 -19.691 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.300 -19.470 -22.093 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -1.909 -20.360 -21.507 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -3.188 -20.589 -19.274 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -4.597 -20.009 -20.140 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -2.953 -22.388 -21.080 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -4.320 -22.550 -19.996 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -4.973 -22.903 -22.288 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -5.739 -21.517 -21.674 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -4.414 -21.360 -22.725 1.00 30.33 H new ATOM 298 N ALA A 21 -2.214 -15.415 -20.294 1.00 53.12 N ATOM 299 CA ALA A 21 -1.602 -14.166 -19.859 1.00 1.22 C ATOM 300 C ALA A 21 -2.553 -13.367 -18.974 1.00 43.50 C ATOM 301 O ALA A 21 -2.167 -12.882 -17.911 1.00 22.15 O ATOM 302 CB ALA A 21 -1.178 -13.338 -21.063 1.00 20.30 C ATOM 0 H ALA A 21 -2.223 -15.551 -21.305 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.718 -14.410 -19.270 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.723 -12.408 -20.723 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.456 -13.900 -21.655 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.051 -13.112 -21.675 1.00 20.30 H new ATOM 308 N ARG A 22 -3.798 -13.233 -19.422 1.00 25.34 N ATOM 309 CA ARG A 22 -4.804 -12.491 -18.670 1.00 62.34 C ATOM 310 C ARG A 22 -5.044 -13.130 -17.306 1.00 32.15 C ATOM 311 O ARG A 22 -5.056 -12.445 -16.282 1.00 70.51 O ATOM 312 CB ARG A 22 -6.115 -12.431 -19.455 1.00 44.13 C ATOM 313 CG ARG A 22 -6.022 -11.614 -20.733 1.00 55.33 C ATOM 314 CD ARG A 22 -6.329 -10.146 -20.480 1.00 32.33 C ATOM 315 NE ARG A 22 -7.704 -9.944 -20.028 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.761 -10.038 -20.827 1.00 11.23 C ATOM 317 NH1 ARG A 22 -8.602 -10.329 -22.111 1.00 3.41 N ATOM 318 NH2 ARG A 22 -9.980 -9.841 -20.342 1.00 10.54 N ATOM 0 H ARG A 22 -4.134 -13.628 -20.301 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.433 -11.478 -18.517 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.426 -13.445 -19.704 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.891 -12.007 -18.818 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.022 -11.710 -21.155 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.719 -12.011 -21.471 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -5.640 -9.755 -19.731 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -6.161 -9.578 -21.395 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.861 -9.719 -19.046 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -7.666 -10.481 -22.487 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -9.415 -10.401 -22.722 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.106 -9.617 -19.355 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -10.791 -9.913 -20.956 1.00 10.54 H new ATOM 332 N ILE A 23 -5.235 -14.444 -17.299 1.00 34.41 N ATOM 333 CA ILE A 23 -5.475 -15.175 -16.060 1.00 74.45 C ATOM 334 C ILE A 23 -4.327 -14.982 -15.077 1.00 44.23 C ATOM 335 O ILE A 23 -4.540 -14.892 -13.868 1.00 42.13 O ATOM 336 CB ILE A 23 -5.665 -16.681 -16.323 1.00 2.43 C ATOM 337 CG1 ILE A 23 -6.857 -16.913 -17.252 1.00 24.30 C ATOM 338 CG2 ILE A 23 -5.856 -17.427 -15.010 1.00 3.12 C ATOM 339 CD1 ILE A 23 -6.717 -18.147 -18.118 1.00 52.43 C ATOM 0 H ILE A 23 -5.228 -15.025 -18.137 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.391 -14.772 -15.628 1.00 74.45 H new ATOM 0 HB ILE A 23 -4.769 -17.066 -16.811 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -7.763 -17.001 -16.652 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -6.982 -16.041 -17.894 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -5.989 -18.490 -15.211 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -4.978 -17.284 -14.379 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.738 -17.042 -14.498 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -7.598 -18.249 -18.751 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -5.829 -18.054 -18.744 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -6.622 -19.028 -17.483 1.00 52.43 H new ATOM 351 N TRP A 24 -3.109 -14.916 -15.604 1.00 31.51 N ATOM 352 CA TRP A 24 -1.925 -14.732 -14.772 1.00 62.05 C ATOM 353 C TRP A 24 -1.910 -13.341 -14.148 1.00 74.25 C ATOM 354 O TRP A 24 -1.831 -13.199 -12.927 1.00 4.31 O ATOM 355 CB TRP A 24 -0.657 -14.947 -15.600 1.00 3.42 C ATOM 356 CG TRP A 24 0.491 -15.484 -14.798 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.799 -16.797 -14.588 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.480 -14.720 -14.101 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.922 -16.896 -13.801 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.358 -15.636 -13.489 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.711 -13.352 -13.934 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.447 -15.225 -12.725 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.792 -12.946 -13.175 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.649 -13.880 -12.578 1.00 64.41 C ATOM 0 H TRP A 24 -2.916 -14.987 -16.603 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.956 -15.469 -13.970 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -0.876 -15.637 -16.415 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.363 -14.001 -16.054 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.243 -17.635 -14.982 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.359 -17.767 -13.499 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.056 -12.625 -14.390 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 4.109 -15.943 -12.264 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.979 -11.891 -13.040 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.485 -13.531 -11.990 1.00 64.41 H new ATOM 375 N LEU A 25 -1.988 -12.318 -14.992 1.00 11.33 N ATOM 376 CA LEU A 25 -1.984 -10.937 -14.522 1.00 44.32 C ATOM 377 C LEU A 25 -3.160 -10.677 -13.585 1.00 51.32 C ATOM 378 O LEU A 25 -3.027 -9.964 -12.591 1.00 43.22 O ATOM 379 CB LEU A 25 -2.040 -9.973 -15.709 1.00 70.24 C ATOM 380 CG LEU A 25 -0.694 -9.581 -16.319 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.134 -8.786 -15.322 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.065 -10.819 -16.777 1.00 3.23 C ATOM 0 H LEU A 25 -2.055 -12.419 -16.005 1.00 11.33 H new ATOM 0 HA LEU A 25 -1.059 -10.770 -13.970 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.652 -10.425 -16.490 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.550 -9.064 -15.390 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.882 -8.951 -17.188 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.088 -8.516 -15.775 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.404 -7.880 -15.043 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.312 -9.391 -14.433 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.021 -10.521 -17.209 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.241 -11.474 -15.924 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.522 -11.349 -17.527 1.00 3.23 H new ATOM 394 N GLU A 26 -4.309 -11.261 -13.910 1.00 61.23 N ATOM 395 CA GLU A 26 -5.507 -11.092 -13.096 1.00 64.31 C ATOM 396 C GLU A 26 -5.369 -11.828 -11.766 1.00 74.22 C ATOM 397 O GLU A 26 -5.628 -11.264 -10.703 1.00 53.23 O ATOM 398 CB GLU A 26 -6.737 -11.603 -13.850 1.00 32.45 C ATOM 399 CG GLU A 26 -7.225 -10.655 -14.932 1.00 31.13 C ATOM 400 CD GLU A 26 -7.496 -9.259 -14.406 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.340 -9.119 -13.496 1.00 61.24 O ATOM 402 OE2 GLU A 26 -6.862 -8.305 -14.905 1.00 13.03 O ATOM 0 H GLU A 26 -4.436 -11.854 -14.730 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.631 -10.029 -12.891 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.501 -12.566 -14.302 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.544 -11.774 -13.138 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.480 -10.602 -15.726 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -8.136 -11.055 -15.376 1.00 31.13 H new ATOM 409 N ASP A 27 -4.960 -13.090 -11.835 1.00 34.31 N ATOM 410 CA ASP A 27 -4.788 -13.904 -10.637 1.00 72.41 C ATOM 411 C ASP A 27 -3.851 -13.220 -9.647 1.00 33.14 C ATOM 412 O ASP A 27 -4.127 -13.173 -8.447 1.00 3.11 O ATOM 413 CB ASP A 27 -4.241 -15.284 -11.007 1.00 42.32 C ATOM 414 CG ASP A 27 -4.131 -16.203 -9.807 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.110 -16.921 -9.516 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.064 -16.206 -9.158 1.00 45.10 O ATOM 0 H ASP A 27 -4.741 -13.571 -12.707 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.763 -14.023 -10.164 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.891 -15.741 -11.753 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.259 -15.171 -11.466 1.00 42.32 H new ATOM 421 N HIS A 28 -2.742 -12.694 -10.156 1.00 21.13 N ATOM 422 CA HIS A 28 -1.763 -12.013 -9.315 1.00 13.54 C ATOM 423 C HIS A 28 -2.375 -10.778 -8.661 1.00 43.42 C ATOM 424 O HIS A 28 -1.835 -10.245 -7.693 1.00 0.32 O ATOM 425 CB HIS A 28 -0.539 -11.615 -10.141 1.00 14.43 C ATOM 426 CG HIS A 28 0.705 -11.444 -9.323 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.701 -12.394 -9.262 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.111 -10.422 -8.533 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.666 -11.966 -8.468 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.332 -10.772 -8.013 1.00 21.13 N ATOM 0 H HIS A 28 -2.498 -12.726 -11.146 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.453 -12.702 -8.529 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.362 -12.375 -10.902 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.751 -10.683 -10.664 1.00 14.43 H new ATOM 0 HD2 HIS A 28 0.574 -9.503 -8.347 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.574 -12.501 -8.231 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.891 -10.202 -7.378 1.00 21.13 H new ATOM 438 N GLY A 29 -3.504 -10.326 -9.199 1.00 43.32 N ATOM 439 CA GLY A 29 -4.169 -9.156 -8.656 1.00 61.30 C ATOM 440 C GLY A 29 -3.754 -7.877 -9.356 1.00 13.24 C ATOM 441 O GLY A 29 -3.785 -6.799 -8.761 1.00 52.32 O ATOM 0 H GLY A 29 -3.970 -10.750 -10.001 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -5.248 -9.281 -8.744 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.944 -9.074 -7.593 1.00 61.30 H new ATOM 445 N ILE A 30 -3.364 -7.996 -10.620 1.00 54.44 N ATOM 446 CA ILE A 30 -2.941 -6.839 -11.400 1.00 74.22 C ATOM 447 C ILE A 30 -3.990 -6.465 -12.442 1.00 61.31 C ATOM 448 O ILE A 30 -4.720 -7.324 -12.938 1.00 14.22 O ATOM 449 CB ILE A 30 -1.599 -7.098 -12.109 1.00 33.02 C ATOM 450 CG1 ILE A 30 -0.578 -7.670 -11.123 1.00 74.32 C ATOM 451 CG2 ILE A 30 -1.075 -5.816 -12.737 1.00 52.12 C ATOM 452 CD1 ILE A 30 0.746 -8.024 -11.762 1.00 25.45 C ATOM 0 H ILE A 30 -3.332 -8.881 -11.126 1.00 54.44 H new ATOM 0 HA ILE A 30 -2.819 -6.014 -10.699 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.760 -7.829 -12.902 1.00 33.02 H new ATOM 0 HG12 ILE A 30 -0.406 -6.944 -10.328 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.996 -8.561 -10.655 1.00 74.32 H new ATOM 0 HG21 ILE A 30 -0.126 -6.016 -13.234 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -1.796 -5.447 -13.466 1.00 52.12 H new ATOM 0 HG23 ILE A 30 -0.927 -5.065 -11.961 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.420 -8.423 -11.004 1.00 25.45 H new ATOM 0 HD12 ILE A 30 0.587 -8.773 -12.537 1.00 25.45 H new ATOM 0 HD13 ILE A 30 1.186 -7.131 -12.205 1.00 25.45 H new ATOM 464 N ASP A 31 -4.057 -5.180 -12.771 1.00 75.12 N ATOM 465 CA ASP A 31 -5.016 -4.692 -13.757 1.00 21.24 C ATOM 466 C ASP A 31 -4.297 -4.057 -14.943 1.00 75.12 C ATOM 467 O ASP A 31 -3.672 -3.005 -14.812 1.00 63.43 O ATOM 468 CB ASP A 31 -5.967 -3.679 -13.118 1.00 24.41 C ATOM 469 CG ASP A 31 -6.998 -4.338 -12.224 1.00 12.42 C ATOM 470 OD1 ASP A 31 -7.641 -5.309 -12.674 1.00 24.32 O ATOM 471 OD2 ASP A 31 -7.163 -3.881 -11.073 1.00 60.30 O ATOM 0 H ASP A 31 -3.459 -4.457 -12.370 1.00 75.12 H new ATOM 0 HA ASP A 31 -5.595 -5.542 -14.118 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -5.390 -2.961 -12.535 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -6.476 -3.118 -13.902 1.00 24.41 H new ATOM 476 N TYR A 32 -4.392 -4.704 -16.101 1.00 1.34 N ATOM 477 CA TYR A 32 -3.748 -4.205 -17.310 1.00 14.55 C ATOM 478 C TYR A 32 -4.787 -3.775 -18.342 1.00 23.04 C ATOM 479 O TYR A 32 -5.900 -4.301 -18.376 1.00 43.04 O ATOM 480 CB TYR A 32 -2.834 -5.276 -17.905 1.00 44.01 C ATOM 481 CG TYR A 32 -1.407 -5.199 -17.409 1.00 2.43 C ATOM 482 CD1 TYR A 32 -1.130 -4.939 -16.072 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.338 -5.385 -18.275 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.171 -4.867 -15.613 1.00 1.10 C ATOM 485 CE2 TYR A 32 0.967 -5.316 -17.825 1.00 0.12 C ATOM 486 CZ TYR A 32 1.216 -5.057 -16.494 1.00 70.01 C ATOM 487 OH TYR A 32 2.514 -4.986 -16.042 1.00 34.31 O ATOM 0 H TYR A 32 -4.909 -5.574 -16.227 1.00 1.34 H new ATOM 0 HA TYR A 32 -3.149 -3.335 -17.040 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.239 -6.260 -17.668 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.838 -5.182 -18.991 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.946 -4.791 -15.380 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.529 -5.587 -19.318 1.00 41.42 H new ATOM 0 HE1 TYR A 32 0.369 -4.663 -14.571 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.787 -5.464 -18.512 1.00 0.12 H new ATOM 0 HH TYR A 32 3.129 -5.144 -16.788 1.00 34.31 H new ATOM 497 N THR A 33 -4.414 -2.816 -19.183 1.00 12.42 N ATOM 498 CA THR A 33 -5.311 -2.313 -20.216 1.00 70.00 C ATOM 499 C THR A 33 -5.293 -3.215 -21.445 1.00 44.51 C ATOM 500 O THR A 33 -4.294 -3.286 -22.160 1.00 22.54 O ATOM 501 CB THR A 33 -4.936 -0.881 -20.638 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.436 -0.152 -19.511 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.139 -0.156 -21.223 1.00 52.41 C ATOM 0 H THR A 33 -3.496 -2.372 -19.169 1.00 12.42 H new ATOM 0 HA THR A 33 -6.314 -2.306 -19.788 1.00 70.00 H new ATOM 0 HB THR A 33 -4.162 -0.943 -21.403 1.00 0.30 H new ATOM 0 HG1 THR A 33 -3.514 -0.427 -19.326 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.849 0.854 -21.514 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.499 -0.696 -22.098 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.932 -0.105 -20.476 1.00 52.41 H new ATOM 511 N PHE A 34 -6.405 -3.901 -21.686 1.00 20.02 N ATOM 512 CA PHE A 34 -6.516 -4.799 -22.829 1.00 51.35 C ATOM 513 C PHE A 34 -6.743 -4.013 -24.118 1.00 63.42 C ATOM 514 O PHE A 34 -7.717 -3.271 -24.242 1.00 51.44 O ATOM 515 CB PHE A 34 -7.661 -5.791 -22.617 1.00 74.40 C ATOM 516 CG PHE A 34 -7.960 -6.631 -23.825 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.942 -7.289 -24.497 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.258 -6.762 -24.291 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.213 -8.064 -25.609 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.535 -7.534 -25.404 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.511 -8.185 -26.063 1.00 71.33 C ATOM 0 H PHE A 34 -7.242 -3.852 -21.105 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.579 -5.349 -22.918 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.413 -6.446 -21.782 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.559 -5.241 -22.336 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.924 -7.195 -24.147 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -10.063 -6.255 -23.779 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.411 -8.574 -26.122 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.551 -7.628 -25.758 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.725 -8.788 -26.933 1.00 71.33 H new ATOM 531 N HIS A 35 -5.834 -4.182 -25.074 1.00 30.12 N ATOM 532 CA HIS A 35 -5.934 -3.489 -26.354 1.00 4.21 C ATOM 533 C HIS A 35 -6.020 -4.485 -27.505 1.00 71.42 C ATOM 534 O HIS A 35 -5.151 -5.341 -27.666 1.00 23.35 O ATOM 535 CB HIS A 35 -4.731 -2.565 -26.552 1.00 32.13 C ATOM 536 CG HIS A 35 -4.897 -1.220 -25.915 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.826 -0.963 -24.929 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.244 -0.053 -26.128 1.00 54.12 C ATOM 539 CE1 HIS A 35 -5.740 0.303 -24.565 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.787 0.878 -25.277 1.00 32.22 N ATOM 0 H HIS A 35 -5.021 -4.792 -24.987 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.845 -2.891 -26.346 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.843 -3.045 -26.141 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.557 -2.433 -27.620 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -3.445 0.114 -26.835 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.346 0.787 -23.813 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -4.501 1.855 -25.206 1.00 32.22 H new ATOM 548 N ASP A 36 -7.076 -4.367 -28.305 1.00 25.23 N ATOM 549 CA ASP A 36 -7.276 -5.258 -29.442 1.00 42.21 C ATOM 550 C ASP A 36 -6.518 -4.754 -30.666 1.00 1.23 C ATOM 551 O ASP A 36 -6.520 -3.559 -30.963 1.00 31.51 O ATOM 552 CB ASP A 36 -8.767 -5.379 -29.765 1.00 24.32 C ATOM 553 CG ASP A 36 -9.361 -6.682 -29.268 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.868 -7.753 -29.676 1.00 21.31 O ATOM 555 OD2 ASP A 36 -10.322 -6.629 -28.470 1.00 70.42 O ATOM 0 H ASP A 36 -7.805 -3.664 -28.187 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.888 -6.241 -29.175 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -9.303 -4.543 -29.315 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.910 -5.305 -30.843 1.00 24.32 H new ATOM 560 N TYR A 37 -5.868 -5.673 -31.372 1.00 30.14 N ATOM 561 CA TYR A 37 -5.102 -5.322 -32.562 1.00 33.02 C ATOM 562 C TYR A 37 -5.947 -4.501 -33.531 1.00 52.25 C ATOM 563 O TYR A 37 -5.434 -3.640 -34.245 1.00 44.22 O ATOM 564 CB TYR A 37 -4.593 -6.586 -33.257 1.00 4.33 C ATOM 565 CG TYR A 37 -5.665 -7.337 -34.011 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.701 -7.972 -33.336 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.644 -7.413 -35.399 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.684 -8.660 -34.022 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.623 -8.098 -36.091 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.641 -8.720 -35.399 1.00 12.12 C ATOM 571 OH TYR A 37 -8.618 -9.404 -36.085 1.00 41.03 O ATOM 0 H TYR A 37 -5.856 -6.666 -31.141 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.250 -4.718 -32.250 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.797 -6.314 -33.950 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -4.154 -7.248 -32.511 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.738 -7.927 -32.258 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -4.848 -6.928 -35.945 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -8.482 -9.148 -33.482 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.592 -8.146 -37.169 1.00 74.45 H new ATOM 0 HH TYR A 37 -8.442 -9.349 -37.047 1.00 41.03 H new ATOM 581 N LYS A 38 -7.247 -4.774 -33.550 1.00 0.11 N ATOM 582 CA LYS A 38 -8.166 -4.061 -34.428 1.00 54.34 C ATOM 583 C LYS A 38 -8.706 -2.806 -33.749 1.00 63.30 C ATOM 584 O LYS A 38 -8.732 -1.728 -34.343 1.00 51.11 O ATOM 585 CB LYS A 38 -9.327 -4.972 -34.835 1.00 63.31 C ATOM 586 CG LYS A 38 -10.007 -4.553 -36.126 1.00 54.42 C ATOM 587 CD LYS A 38 -11.240 -5.395 -36.407 1.00 63.40 C ATOM 588 CE LYS A 38 -11.519 -5.493 -37.899 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.789 -6.629 -38.527 1.00 30.43 N ATOM 0 H LYS A 38 -7.688 -5.485 -32.966 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.616 -3.762 -35.320 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.957 -5.991 -34.944 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -10.065 -4.985 -34.033 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.290 -3.502 -36.065 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -9.305 -4.647 -36.955 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -11.101 -6.395 -35.995 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -12.102 -4.959 -35.902 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -12.590 -5.616 -38.061 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.228 -4.562 -38.385 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -11.006 -6.661 -39.544 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -9.766 -6.499 -38.395 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -11.085 -7.521 -38.081 1.00 30.43 H new ATOM 603 N LYS A 39 -9.134 -2.953 -32.500 1.00 13.11 N ATOM 604 CA LYS A 39 -9.671 -1.832 -31.738 1.00 43.13 C ATOM 605 C LYS A 39 -8.684 -0.669 -31.713 1.00 2.14 C ATOM 606 O LYS A 39 -9.061 0.481 -31.933 1.00 41.33 O ATOM 607 CB LYS A 39 -9.996 -2.269 -30.308 1.00 74.40 C ATOM 608 CG LYS A 39 -10.975 -1.351 -29.599 1.00 14.42 C ATOM 609 CD LYS A 39 -10.259 -0.217 -28.884 1.00 32.52 C ATOM 610 CE LYS A 39 -9.979 -0.565 -27.430 1.00 13.12 C ATOM 611 NZ LYS A 39 -11.229 -0.611 -26.620 1.00 4.24 N ATOM 0 H LYS A 39 -9.119 -3.838 -31.994 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.587 -1.499 -32.226 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.408 -3.278 -30.330 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.072 -2.315 -29.732 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.678 -0.939 -30.323 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.558 -1.926 -28.879 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -9.321 0.002 -29.394 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -10.867 0.687 -28.933 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -9.477 -1.531 -27.378 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -9.298 0.172 -27.005 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -10.997 -0.478 -25.615 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -11.872 0.146 -26.930 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -11.692 -1.533 -26.749 1.00 4.24 H new ATOM 625 N GLU A 40 -7.419 -0.979 -31.444 1.00 43.23 N ATOM 626 CA GLU A 40 -6.378 0.042 -31.392 1.00 30.23 C ATOM 627 C GLU A 40 -6.047 0.554 -32.790 1.00 71.01 C ATOM 628 O GLU A 40 -5.691 1.718 -32.968 1.00 70.35 O ATOM 629 CB GLU A 40 -5.117 -0.517 -30.729 1.00 33.12 C ATOM 630 CG GLU A 40 -5.001 -0.173 -29.253 1.00 71.13 C ATOM 631 CD GLU A 40 -6.319 -0.315 -28.516 1.00 51.30 C ATOM 632 OE1 GLU A 40 -7.005 -1.338 -28.716 1.00 43.15 O ATOM 633 OE2 GLU A 40 -6.663 0.599 -27.738 1.00 11.55 O ATOM 0 H GLU A 40 -7.091 -1.927 -31.259 1.00 43.23 H new ATOM 0 HA GLU A 40 -6.753 0.876 -30.798 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.107 -1.601 -30.843 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.241 -0.134 -31.253 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -4.258 -0.822 -28.790 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.639 0.850 -29.149 1.00 71.13 H new ATOM 640 N GLY A 41 -6.166 -0.326 -33.780 1.00 12.45 N ATOM 641 CA GLY A 41 -5.876 0.054 -35.150 1.00 0.44 C ATOM 642 C GLY A 41 -4.401 0.327 -35.375 1.00 54.13 C ATOM 643 O GLY A 41 -3.913 1.420 -35.086 1.00 32.21 O ATOM 0 H GLY A 41 -6.458 -1.296 -33.657 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.202 -0.741 -35.821 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.451 0.944 -35.407 1.00 0.44 H new ATOM 647 N LEU A 42 -3.691 -0.668 -35.892 1.00 61.22 N ATOM 648 CA LEU A 42 -2.262 -0.532 -36.156 1.00 32.11 C ATOM 649 C LEU A 42 -2.015 0.351 -37.374 1.00 60.11 C ATOM 650 O LEU A 42 -2.641 0.173 -38.419 1.00 61.12 O ATOM 651 CB LEU A 42 -1.629 -1.908 -36.371 1.00 31.00 C ATOM 652 CG LEU A 42 -0.183 -2.064 -35.900 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.735 -1.133 -36.677 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.078 -1.793 -34.406 1.00 25.43 C ATOM 0 H LEU A 42 -4.080 -1.578 -36.137 1.00 61.22 H new ATOM 0 HA LEU A 42 -1.801 -0.059 -35.289 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.239 -2.651 -35.857 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.671 -2.142 -37.435 1.00 31.00 H new ATOM 0 HG LEU A 42 0.131 -3.091 -36.087 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.760 -1.258 -36.328 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.682 -1.372 -37.739 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.422 -0.100 -36.522 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.958 -1.908 -34.087 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.411 -0.777 -34.196 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -0.706 -2.500 -33.863 1.00 25.43 H new ATOM 666 N ASP A 43 -1.097 1.300 -37.234 1.00 24.10 N ATOM 667 CA ASP A 43 -0.763 2.209 -38.326 1.00 33.24 C ATOM 668 C ASP A 43 0.723 2.135 -38.659 1.00 21.14 C ATOM 669 O ASP A 43 1.474 1.388 -38.032 1.00 4.53 O ATOM 670 CB ASP A 43 -1.145 3.643 -37.958 1.00 14.14 C ATOM 671 CG ASP A 43 -1.543 4.465 -39.168 1.00 53.01 C ATOM 672 OD1 ASP A 43 -2.561 4.124 -39.808 1.00 4.11 O ATOM 673 OD2 ASP A 43 -0.838 5.448 -39.474 1.00 52.23 O ATOM 0 H ASP A 43 -0.570 1.461 -36.376 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.330 1.905 -39.206 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -1.971 3.625 -37.247 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -0.304 4.123 -37.457 1.00 14.14 H new ATOM 678 N ALA A 44 1.142 2.915 -39.651 1.00 11.33 N ATOM 679 CA ALA A 44 2.538 2.939 -40.067 1.00 41.31 C ATOM 680 C ALA A 44 3.440 3.423 -38.937 1.00 2.35 C ATOM 681 O ALA A 44 4.424 2.770 -38.593 1.00 3.31 O ATOM 682 CB ALA A 44 2.708 3.821 -41.295 1.00 54.41 C ATOM 0 H ALA A 44 0.533 3.539 -40.181 1.00 11.33 H new ATOM 0 HA ALA A 44 2.833 1.921 -40.321 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.756 3.830 -41.595 1.00 54.41 H new ATOM 0 HB2 ALA A 44 2.101 3.430 -42.111 1.00 54.41 H new ATOM 0 HB3 ALA A 44 2.389 4.837 -41.060 1.00 54.41 H new ATOM 688 N GLU A 45 3.096 4.572 -38.363 1.00 21.11 N ATOM 689 CA GLU A 45 3.877 5.144 -37.272 1.00 32.33 C ATOM 690 C GLU A 45 4.076 4.125 -36.154 1.00 22.11 C ATOM 691 O GLU A 45 5.199 3.887 -35.706 1.00 3.32 O ATOM 692 CB GLU A 45 3.186 6.393 -36.721 1.00 25.10 C ATOM 693 CG GLU A 45 4.112 7.302 -35.929 1.00 65.44 C ATOM 694 CD GLU A 45 3.394 8.502 -35.345 1.00 54.25 C ATOM 695 OE1 GLU A 45 2.144 8.505 -35.352 1.00 31.22 O ATOM 696 OE2 GLU A 45 4.079 9.438 -34.884 1.00 35.42 O ATOM 0 H GLU A 45 2.283 5.124 -38.635 1.00 21.11 H new ATOM 0 HA GLU A 45 4.855 5.422 -37.666 1.00 32.33 H new ATOM 0 HB2 GLU A 45 2.759 6.957 -37.550 1.00 25.10 H new ATOM 0 HB3 GLU A 45 2.357 6.088 -36.083 1.00 25.10 H new ATOM 0 HG2 GLU A 45 4.572 6.731 -35.123 1.00 65.44 H new ATOM 0 HG3 GLU A 45 4.918 7.646 -36.577 1.00 65.44 H new ATOM 703 N THR A 46 2.979 3.524 -35.705 1.00 73.34 N ATOM 704 CA THR A 46 3.031 2.532 -34.639 1.00 14.20 C ATOM 705 C THR A 46 3.908 1.349 -35.032 1.00 20.44 C ATOM 706 O THR A 46 4.782 0.931 -34.271 1.00 51.10 O ATOM 707 CB THR A 46 1.624 2.018 -34.280 1.00 72.32 C ATOM 708 OG1 THR A 46 0.714 2.294 -35.350 1.00 61.33 O ATOM 709 CG2 THR A 46 1.121 2.666 -33.000 1.00 1.32 C ATOM 0 H THR A 46 2.042 3.708 -36.064 1.00 73.34 H new ATOM 0 HA THR A 46 3.461 3.026 -33.768 1.00 14.20 H new ATOM 0 HB THR A 46 1.684 0.941 -34.123 1.00 72.32 H new ATOM 0 HG1 THR A 46 1.095 1.973 -36.194 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.126 2.287 -32.767 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.800 2.429 -32.181 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.076 3.747 -33.133 1.00 1.32 H new ATOM 717 N LEU A 47 3.669 0.811 -36.222 1.00 41.05 N ATOM 718 CA LEU A 47 4.438 -0.325 -36.718 1.00 30.54 C ATOM 719 C LEU A 47 5.935 -0.037 -36.658 1.00 4.21 C ATOM 720 O LEU A 47 6.712 -0.841 -36.142 1.00 62.44 O ATOM 721 CB LEU A 47 4.028 -0.658 -38.153 1.00 40.43 C ATOM 722 CG LEU A 47 4.733 -1.854 -38.792 1.00 30.21 C ATOM 723 CD1 LEU A 47 6.083 -1.439 -39.357 1.00 72.53 C ATOM 724 CD2 LEU A 47 4.900 -2.979 -37.781 1.00 35.34 C ATOM 0 H LEU A 47 2.948 1.143 -36.862 1.00 41.05 H new ATOM 0 HA LEU A 47 4.225 -1.182 -36.079 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.954 -0.844 -38.169 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.209 0.219 -38.774 1.00 40.43 H new ATOM 0 HG LEU A 47 4.115 -2.219 -39.612 1.00 30.21 H new ATOM 0 HD11 LEU A 47 6.570 -2.304 -39.808 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.939 -0.668 -40.114 1.00 72.53 H new ATOM 0 HD13 LEU A 47 6.708 -1.048 -38.555 1.00 72.53 H new ATOM 0 HD21 LEU A 47 5.404 -3.822 -38.254 1.00 35.34 H new ATOM 0 HD22 LEU A 47 5.496 -2.626 -36.939 1.00 35.34 H new ATOM 0 HD23 LEU A 47 3.920 -3.296 -37.424 1.00 35.34 H new ATOM 736 N ASP A 48 6.332 1.115 -37.186 1.00 1.01 N ATOM 737 CA ASP A 48 7.735 1.511 -37.190 1.00 1.33 C ATOM 738 C ASP A 48 8.260 1.665 -35.766 1.00 4.12 C ATOM 739 O ASP A 48 9.395 1.291 -35.469 1.00 45.52 O ATOM 740 CB ASP A 48 7.915 2.822 -37.957 1.00 15.35 C ATOM 741 CG ASP A 48 9.338 3.020 -38.440 1.00 42.32 C ATOM 742 OD1 ASP A 48 10.256 2.419 -37.844 1.00 12.50 O ATOM 743 OD2 ASP A 48 9.533 3.776 -39.416 1.00 70.50 O ATOM 0 H ASP A 48 5.702 1.791 -37.617 1.00 1.01 H new ATOM 0 HA ASP A 48 8.307 0.727 -37.687 1.00 1.33 H new ATOM 0 HB2 ASP A 48 7.239 2.835 -38.812 1.00 15.35 H new ATOM 0 HB3 ASP A 48 7.633 3.657 -37.315 1.00 15.35 H new ATOM 748 N ARG A 49 7.428 2.217 -34.890 1.00 40.22 N ATOM 749 CA ARG A 49 7.810 2.423 -33.498 1.00 24.55 C ATOM 750 C ARG A 49 8.108 1.091 -32.814 1.00 53.00 C ATOM 751 O ARG A 49 9.087 0.964 -32.078 1.00 73.52 O ATOM 752 CB ARG A 49 6.699 3.157 -32.745 1.00 41.24 C ATOM 753 CG ARG A 49 6.692 4.658 -32.984 1.00 35.00 C ATOM 754 CD ARG A 49 5.520 5.328 -32.283 1.00 53.11 C ATOM 755 NE ARG A 49 5.752 5.478 -30.849 1.00 73.43 N ATOM 756 CZ ARG A 49 4.819 5.874 -29.992 1.00 12.33 C ATOM 757 NH1 ARG A 49 3.597 6.157 -30.421 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.107 5.986 -28.701 1.00 21.11 N ATOM 0 H ARG A 49 6.485 2.530 -35.119 1.00 40.22 H new ATOM 0 HA ARG A 49 8.714 3.032 -33.482 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.735 2.745 -33.044 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.809 2.968 -31.677 1.00 41.24 H new ATOM 0 HG2 ARG A 49 7.627 5.089 -32.625 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.639 4.857 -34.054 1.00 35.00 H new ATOM 0 HD2 ARG A 49 5.345 6.308 -32.726 1.00 53.11 H new ATOM 0 HD3 ARG A 49 4.617 4.740 -32.444 1.00 53.11 H new ATOM 0 HE ARG A 49 6.682 5.267 -30.486 1.00 73.43 H new ATOM 0 HH11 ARG A 49 3.372 6.071 -31.412 1.00 1.45 H new ATOM 0 HH12 ARG A 49 2.882 6.461 -29.760 1.00 1.45 H new ATOM 0 HH21 ARG A 49 6.046 5.768 -28.367 1.00 21.11 H new ATOM 0 HH22 ARG A 49 4.390 6.290 -28.043 1.00 21.11 H new ATOM 772 N PHE A 50 7.257 0.101 -33.062 1.00 52.05 N ATOM 773 CA PHE A 50 7.427 -1.220 -32.470 1.00 23.30 C ATOM 774 C PHE A 50 8.587 -1.965 -33.124 1.00 71.14 C ATOM 775 O PHE A 50 9.296 -2.732 -32.471 1.00 40.10 O ATOM 776 CB PHE A 50 6.139 -2.035 -32.609 1.00 63.44 C ATOM 777 CG PHE A 50 4.967 -1.434 -31.889 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.054 -1.117 -30.543 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.780 -1.184 -32.558 1.00 14.32 C ATOM 780 CE1 PHE A 50 3.976 -0.564 -29.877 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.699 -0.630 -31.897 1.00 41.31 C ATOM 782 CZ PHE A 50 2.798 -0.318 -30.556 1.00 24.45 C ATOM 0 H PHE A 50 6.442 0.189 -33.669 1.00 52.05 H new ATOM 0 HA PHE A 50 7.653 -1.089 -31.412 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.894 -2.133 -33.666 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.312 -3.041 -32.227 1.00 63.44 H new ATOM 0 HD1 PHE A 50 5.974 -1.304 -30.008 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.698 -1.424 -33.608 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.055 -0.324 -28.827 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.778 -0.442 -32.429 1.00 41.31 H new ATOM 0 HZ PHE A 50 1.956 0.118 -30.038 1.00 24.45 H new ATOM 792 N LEU A 51 8.774 -1.733 -34.419 1.00 22.50 N ATOM 793 CA LEU A 51 9.848 -2.382 -35.165 1.00 0.23 C ATOM 794 C LEU A 51 11.208 -1.821 -34.759 1.00 53.31 C ATOM 795 O LEU A 51 12.217 -2.525 -34.795 1.00 22.12 O ATOM 796 CB LEU A 51 9.635 -2.197 -36.668 1.00 24.51 C ATOM 797 CG LEU A 51 10.099 -3.351 -37.558 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.602 -3.547 -37.438 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.362 -4.632 -37.196 1.00 23.22 C ATOM 0 H LEU A 51 8.197 -1.101 -34.974 1.00 22.50 H new ATOM 0 HA LEU A 51 9.830 -3.446 -34.930 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.573 -2.031 -36.847 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.156 -1.292 -36.980 1.00 24.51 H new ATOM 0 HG LEU A 51 9.868 -3.102 -38.594 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.914 -4.372 -38.078 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.114 -2.635 -37.746 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.858 -3.774 -36.403 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.704 -5.443 -37.839 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.562 -4.885 -36.155 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.291 -4.487 -37.334 1.00 23.22 H new ATOM 811 N LYS A 52 11.227 -0.550 -34.371 1.00 72.22 N ATOM 812 CA LYS A 52 12.461 0.105 -33.956 1.00 13.04 C ATOM 813 C LYS A 52 12.888 -0.369 -32.570 1.00 1.22 C ATOM 814 O LYS A 52 14.075 -0.378 -32.244 1.00 22.51 O ATOM 815 CB LYS A 52 12.280 1.625 -33.953 1.00 14.41 C ATOM 816 CG LYS A 52 12.418 2.256 -35.327 1.00 64.25 C ATOM 817 CD LYS A 52 11.771 3.630 -35.379 1.00 12.02 C ATOM 818 CE LYS A 52 12.163 4.385 -36.640 1.00 32.31 C ATOM 819 NZ LYS A 52 13.507 5.012 -36.516 1.00 13.43 N ATOM 0 H LYS A 52 10.401 0.047 -34.336 1.00 72.22 H new ATOM 0 HA LYS A 52 13.242 -0.160 -34.669 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.296 1.865 -33.549 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.016 2.069 -33.283 1.00 14.41 H new ATOM 0 HG2 LYS A 52 13.474 2.340 -35.585 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.958 1.608 -36.073 1.00 64.25 H new ATOM 0 HD2 LYS A 52 10.687 3.524 -35.340 1.00 12.02 H new ATOM 0 HD3 LYS A 52 12.067 4.206 -34.502 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.158 3.701 -37.489 1.00 32.31 H new ATOM 0 HE3 LYS A 52 11.421 5.156 -36.847 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 13.737 5.517 -37.396 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 13.505 5.684 -35.722 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 14.220 4.274 -36.344 1.00 13.43 H new ATOM 833 N THR A 53 11.912 -0.762 -31.757 1.00 24.20 N ATOM 834 CA THR A 53 12.188 -1.237 -30.407 1.00 34.52 C ATOM 835 C THR A 53 12.377 -2.749 -30.385 1.00 21.14 C ATOM 836 O THR A 53 13.156 -3.276 -29.590 1.00 72.44 O ATOM 837 CB THR A 53 11.053 -0.858 -29.436 1.00 24.53 C ATOM 838 OG1 THR A 53 10.398 0.331 -29.889 1.00 13.12 O ATOM 839 CG2 THR A 53 11.593 -0.643 -28.030 1.00 64.44 C ATOM 0 H THR A 53 10.924 -0.761 -32.010 1.00 24.20 H new ATOM 0 HA THR A 53 13.110 -0.754 -30.083 1.00 34.52 H new ATOM 0 HB THR A 53 10.337 -1.679 -29.411 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.846 0.122 -30.671 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.774 -0.376 -27.362 1.00 64.44 H new ATOM 0 HG22 THR A 53 12.065 -1.560 -27.677 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.328 0.162 -28.042 1.00 64.44 H new ATOM 847 N VAL A 54 11.659 -3.445 -31.262 1.00 5.34 N ATOM 848 CA VAL A 54 11.750 -4.897 -31.344 1.00 43.11 C ATOM 849 C VAL A 54 11.799 -5.364 -32.794 1.00 50.42 C ATOM 850 O VAL A 54 11.020 -4.925 -33.640 1.00 41.32 O ATOM 851 CB VAL A 54 10.561 -5.574 -30.638 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.684 -7.088 -30.719 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.469 -5.115 -29.190 1.00 51.22 C ATOM 0 H VAL A 54 11.008 -3.025 -31.926 1.00 5.34 H new ATOM 0 HA VAL A 54 12.673 -5.185 -30.842 1.00 43.11 H new ATOM 0 HB VAL A 54 9.643 -5.280 -31.147 1.00 32.21 H new ATOM 0 HG11 VAL A 54 9.835 -7.550 -30.215 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.697 -7.397 -31.764 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.609 -7.404 -30.236 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.623 -5.604 -28.706 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.388 -5.378 -28.666 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.330 -4.034 -29.159 1.00 51.22 H new ATOM 863 N PRO A 55 12.736 -6.277 -33.091 1.00 2.25 N ATOM 864 CA PRO A 55 12.908 -6.824 -34.440 1.00 2.03 C ATOM 865 C PRO A 55 11.755 -7.732 -34.848 1.00 74.41 C ATOM 866 O PRO A 55 11.198 -8.456 -34.021 1.00 51.24 O ATOM 867 CB PRO A 55 14.208 -7.626 -34.334 1.00 33.24 C ATOM 868 CG PRO A 55 14.313 -7.988 -32.892 1.00 34.23 C ATOM 869 CD PRO A 55 13.698 -6.845 -32.132 1.00 62.25 C ATOM 0 HA PRO A 55 12.934 -6.040 -35.197 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.177 -8.515 -34.964 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.065 -7.035 -34.657 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.789 -8.921 -32.685 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.353 -8.135 -32.601 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.204 -7.187 -31.222 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.447 -6.112 -31.832 1.00 62.25 H new ATOM 877 N TRP A 56 11.399 -7.691 -36.128 1.00 2.13 N ATOM 878 CA TRP A 56 10.311 -8.511 -36.646 1.00 72.32 C ATOM 879 C TRP A 56 10.551 -9.987 -36.347 1.00 33.30 C ATOM 880 O TRP A 56 9.618 -10.726 -36.035 1.00 54.31 O ATOM 881 CB TRP A 56 10.159 -8.302 -38.153 1.00 43.12 C ATOM 882 CG TRP A 56 11.440 -8.486 -38.909 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.360 -7.523 -39.211 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.940 -9.709 -39.463 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.403 -8.074 -39.917 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.169 -9.413 -40.084 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.470 -11.024 -39.492 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.931 -10.385 -40.728 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.227 -11.988 -40.130 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.448 -11.665 -40.741 1.00 14.15 C ATOM 0 H TRP A 56 11.849 -7.098 -36.826 1.00 2.13 H new ATOM 0 HA TRP A 56 9.391 -8.204 -36.149 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.415 -9.001 -38.537 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.778 -7.298 -38.337 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.280 -6.482 -38.936 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.219 -7.568 -40.261 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.532 -11.283 -39.024 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.870 -10.137 -41.200 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 11.873 -13.008 -40.159 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.017 -12.441 -41.231 1.00 14.15 H new ATOM 901 N GLU A 57 11.807 -10.408 -36.443 1.00 24.51 N ATOM 902 CA GLU A 57 12.169 -11.797 -36.182 1.00 64.15 C ATOM 903 C GLU A 57 11.733 -12.220 -34.783 1.00 74.11 C ATOM 904 O GLU A 57 11.478 -13.398 -34.531 1.00 43.02 O ATOM 905 CB GLU A 57 13.678 -11.993 -36.339 1.00 44.32 C ATOM 906 CG GLU A 57 14.507 -11.015 -35.522 1.00 74.32 C ATOM 907 CD GLU A 57 15.892 -11.545 -35.209 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.013 -12.386 -34.294 1.00 35.22 O ATOM 909 OE2 GLU A 57 16.857 -11.117 -35.877 1.00 73.32 O ATOM 0 H GLU A 57 12.591 -9.808 -36.699 1.00 24.51 H new ATOM 0 HA GLU A 57 11.651 -12.422 -36.909 1.00 64.15 H new ATOM 0 HB2 GLU A 57 13.936 -13.010 -36.044 1.00 44.32 H new ATOM 0 HB3 GLU A 57 13.942 -11.889 -37.391 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.596 -10.076 -36.068 1.00 74.32 H new ATOM 0 HG3 GLU A 57 13.987 -10.794 -34.590 1.00 74.32 H new ATOM 916 N GLN A 58 11.648 -11.250 -33.878 1.00 73.33 N ATOM 917 CA GLN A 58 11.244 -11.523 -32.504 1.00 13.45 C ATOM 918 C GLN A 58 10.026 -10.688 -32.120 1.00 24.32 C ATOM 919 O GLN A 58 9.778 -10.439 -30.939 1.00 52.14 O ATOM 920 CB GLN A 58 12.399 -11.233 -31.543 1.00 52.31 C ATOM 921 CG GLN A 58 13.640 -12.066 -31.816 1.00 2.22 C ATOM 922 CD GLN A 58 14.550 -12.172 -30.607 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.534 -11.311 -29.728 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.348 -13.232 -30.559 1.00 11.14 N ATOM 0 H GLN A 58 11.853 -10.270 -34.071 1.00 73.33 H new ATOM 0 HA GLN A 58 10.977 -12.577 -32.432 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.659 -10.176 -31.609 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.066 -11.416 -30.522 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.340 -13.066 -32.129 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.194 -11.625 -32.645 1.00 2.22 H new ATOM 0 HE21 GLN A 58 15.327 -13.921 -31.311 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.982 -13.358 -29.770 1.00 11.14 H new ATOM 933 N LEU A 59 9.270 -10.258 -33.123 1.00 41.15 N ATOM 934 CA LEU A 59 8.077 -9.450 -32.891 1.00 23.12 C ATOM 935 C LEU A 59 6.866 -10.052 -33.597 1.00 51.11 C ATOM 936 O LEU A 59 5.761 -9.512 -33.527 1.00 4.12 O ATOM 937 CB LEU A 59 8.305 -8.017 -33.376 1.00 20.44 C ATOM 938 CG LEU A 59 7.233 -6.998 -32.985 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.000 -7.018 -31.483 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.629 -5.604 -33.448 1.00 61.44 C ATOM 0 H LEU A 59 9.461 -10.455 -34.105 1.00 41.15 H new ATOM 0 HA LEU A 59 7.880 -9.437 -31.819 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.264 -7.672 -32.990 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.386 -8.031 -34.463 1.00 20.44 H new ATOM 0 HG LEU A 59 6.301 -7.272 -33.479 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.234 -6.287 -31.224 1.00 5.54 H new ATOM 0 HD12 LEU A 59 6.671 -8.012 -31.179 1.00 5.54 H new ATOM 0 HD13 LEU A 59 7.928 -6.770 -30.968 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.855 -4.892 -33.162 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.573 -5.321 -32.983 1.00 61.44 H new ATOM 0 HD23 LEU A 59 7.743 -5.599 -34.532 1.00 61.44 H new ATOM 952 N LEU A 60 7.081 -11.173 -34.276 1.00 55.45 N ATOM 953 CA LEU A 60 6.006 -11.850 -34.994 1.00 62.31 C ATOM 954 C LEU A 60 6.256 -13.353 -35.057 1.00 44.10 C ATOM 955 O LEU A 60 7.369 -13.796 -35.340 1.00 61.30 O ATOM 956 CB LEU A 60 5.876 -11.284 -36.409 1.00 44.32 C ATOM 957 CG LEU A 60 6.898 -11.786 -37.431 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.308 -12.910 -38.267 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.367 -10.644 -38.321 1.00 71.44 C ATOM 0 H LEU A 60 7.989 -11.632 -34.345 1.00 55.45 H new ATOM 0 HA LEU A 60 5.076 -11.677 -34.453 1.00 62.31 H new ATOM 0 HB2 LEU A 60 4.878 -11.515 -36.780 1.00 44.32 H new ATOM 0 HB3 LEU A 60 5.952 -10.198 -36.353 1.00 44.32 H new ATOM 0 HG LEU A 60 7.761 -12.177 -36.892 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.049 -13.254 -38.988 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.023 -13.737 -37.616 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.428 -12.546 -38.797 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.093 -11.019 -39.042 1.00 71.44 H new ATOM 0 HD22 LEU A 60 6.514 -10.222 -38.852 1.00 71.44 H new ATOM 0 HD23 LEU A 60 7.830 -9.871 -37.708 1.00 71.44 H new ATOM 971 N ASN A 61 5.213 -14.133 -34.793 1.00 14.22 N ATOM 972 CA ASN A 61 5.319 -15.587 -34.822 1.00 33.24 C ATOM 973 C ASN A 61 5.822 -16.070 -36.178 1.00 54.15 C ATOM 974 O ASN A 61 5.483 -15.499 -37.216 1.00 1.23 O ATOM 975 CB ASN A 61 3.963 -16.225 -34.510 1.00 52.35 C ATOM 976 CG ASN A 61 3.050 -16.260 -35.722 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.906 -15.119 -36.386 1.00 42.20 O flip ATOM 978 ND2 ASN A 61 2.482 -17.300 -36.054 1.00 71.33 N flip ATOM 0 H ASN A 61 4.285 -13.782 -34.557 1.00 14.22 H new ATOM 0 HA ASN A 61 6.038 -15.889 -34.061 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.117 -17.240 -34.145 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.478 -15.668 -33.708 1.00 52.35 H new ATOM 0 HD21 ASN A 61 2.623 -18.153 -35.513 1.00 71.33 H new ATOM 0 HD22 ASN A 61 1.870 -17.309 -36.870 1.00 71.33 H new ATOM 985 N ARG A 62 6.630 -17.125 -36.164 1.00 14.43 N ATOM 986 CA ARG A 62 7.179 -17.684 -37.392 1.00 62.32 C ATOM 987 C ARG A 62 6.733 -19.131 -37.578 1.00 71.20 C ATOM 988 O ARG A 62 6.710 -19.645 -38.696 1.00 73.11 O ATOM 989 CB ARG A 62 8.707 -17.609 -37.374 1.00 1.22 C ATOM 990 CG ARG A 62 9.249 -16.192 -37.472 1.00 71.45 C ATOM 991 CD ARG A 62 9.878 -15.743 -36.163 1.00 72.42 C ATOM 992 NE ARG A 62 11.307 -15.479 -36.304 1.00 15.00 N ATOM 993 CZ ARG A 62 12.238 -16.425 -36.247 1.00 45.11 C ATOM 994 NH1 ARG A 62 11.893 -17.690 -36.054 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.518 -16.106 -36.386 1.00 4.03 N ATOM 0 H ARG A 62 6.919 -17.610 -35.314 1.00 14.43 H new ATOM 0 HA ARG A 62 6.803 -17.095 -38.229 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.074 -18.066 -36.455 1.00 1.22 H new ATOM 0 HB3 ARG A 62 9.101 -18.198 -38.202 1.00 1.22 H new ATOM 0 HG2 ARG A 62 9.990 -16.139 -38.270 1.00 71.45 H new ATOM 0 HG3 ARG A 62 8.442 -15.511 -37.741 1.00 71.45 H new ATOM 0 HD2 ARG A 62 9.376 -14.842 -35.810 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.724 -16.511 -35.405 1.00 72.42 H new ATOM 0 HE ARG A 62 11.607 -14.516 -36.454 1.00 15.00 H new ATOM 0 HH11 ARG A 62 10.910 -17.940 -35.949 1.00 32.15 H new ATOM 0 HH12 ARG A 62 12.611 -18.413 -36.011 1.00 32.15 H new ATOM 0 HH21 ARG A 62 13.788 -15.134 -36.537 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.232 -16.833 -36.342 1.00 4.03 H new ATOM 1009 N ALA A 63 6.379 -19.783 -36.475 1.00 13.41 N ATOM 1010 CA ALA A 63 5.932 -21.169 -36.517 1.00 11.25 C ATOM 1011 C ALA A 63 4.412 -21.254 -36.611 1.00 40.23 C ATOM 1012 O ALA A 63 3.803 -22.206 -36.126 1.00 15.22 O ATOM 1013 CB ALA A 63 6.429 -21.921 -35.291 1.00 4.01 C ATOM 0 H ALA A 63 6.393 -19.373 -35.541 1.00 13.41 H new ATOM 0 HA ALA A 63 6.351 -21.633 -37.410 1.00 11.25 H new ATOM 0 HB1 ALA A 63 6.088 -22.955 -35.335 1.00 4.01 H new ATOM 0 HB2 ALA A 63 7.519 -21.899 -35.268 1.00 4.01 H new ATOM 0 HB3 ALA A 63 6.037 -21.448 -34.390 1.00 4.01 H new ATOM 1019 N GLY A 64 3.807 -20.251 -37.239 1.00 15.42 N ATOM 1020 CA GLY A 64 2.362 -20.230 -37.383 1.00 64.14 C ATOM 1021 C GLY A 64 1.927 -20.146 -38.833 1.00 10.02 C ATOM 1022 O GLY A 64 2.745 -19.917 -39.723 1.00 62.15 O ATOM 0 H GLY A 64 4.291 -19.453 -37.651 1.00 15.42 H new ATOM 0 HA2 GLY A 64 1.942 -21.129 -36.932 1.00 64.14 H new ATOM 0 HA3 GLY A 64 1.957 -19.379 -36.835 1.00 64.14 H new ATOM 1026 N THR A 65 0.632 -20.333 -39.072 1.00 32.42 N ATOM 1027 CA THR A 65 0.090 -20.281 -40.424 1.00 14.14 C ATOM 1028 C THR A 65 0.514 -19.003 -41.138 1.00 2.22 C ATOM 1029 O THR A 65 0.682 -18.986 -42.357 1.00 74.54 O ATOM 1030 CB THR A 65 -1.449 -20.363 -40.414 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.988 -19.355 -39.551 1.00 71.44 O ATOM 1032 CG2 THR A 65 -1.915 -21.735 -39.954 1.00 24.43 C ATOM 0 H THR A 65 -0.060 -20.522 -38.347 1.00 32.42 H new ATOM 0 HA THR A 65 0.490 -21.142 -40.959 1.00 14.14 H new ATOM 0 HB THR A 65 -1.806 -20.198 -41.431 1.00 43.52 H new ATOM 0 HG1 THR A 65 -2.966 -19.413 -39.552 1.00 71.44 H new ATOM 0 HG21 THR A 65 -3.004 -21.769 -39.955 1.00 24.43 H new ATOM 0 HG22 THR A 65 -1.528 -22.497 -40.631 1.00 24.43 H new ATOM 0 HG23 THR A 65 -1.547 -21.925 -38.946 1.00 24.43 H new ATOM 1040 N THR A 66 0.690 -17.931 -40.370 1.00 75.01 N ATOM 1041 CA THR A 66 1.094 -16.648 -40.930 1.00 24.34 C ATOM 1042 C THR A 66 2.347 -16.793 -41.785 1.00 70.12 C ATOM 1043 O THR A 66 2.477 -16.150 -42.828 1.00 31.44 O ATOM 1044 CB THR A 66 1.361 -15.612 -39.821 1.00 53.23 C ATOM 1045 OG1 THR A 66 2.256 -16.157 -38.846 1.00 11.42 O ATOM 1046 CG2 THR A 66 0.062 -15.194 -39.149 1.00 2.54 C ATOM 0 H THR A 66 0.559 -17.927 -39.358 1.00 75.01 H new ATOM 0 HA THR A 66 0.270 -16.300 -41.553 1.00 24.34 H new ATOM 0 HB THR A 66 1.815 -14.732 -40.277 1.00 53.23 H new ATOM 0 HG1 THR A 66 2.301 -15.557 -38.072 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.275 -14.462 -38.370 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.605 -14.752 -39.889 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.416 -16.068 -38.706 1.00 2.54 H new ATOM 1054 N PHE A 67 3.268 -17.641 -41.340 1.00 31.33 N ATOM 1055 CA PHE A 67 4.512 -17.870 -42.066 1.00 51.22 C ATOM 1056 C PHE A 67 4.284 -18.800 -43.255 1.00 2.20 C ATOM 1057 O PHE A 67 4.916 -18.653 -44.301 1.00 62.22 O ATOM 1058 CB PHE A 67 5.570 -18.465 -41.134 1.00 14.00 C ATOM 1059 CG PHE A 67 6.891 -18.708 -41.805 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.106 -19.859 -42.546 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.919 -17.785 -41.695 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.322 -20.085 -43.163 1.00 72.43 C ATOM 1063 CE2 PHE A 67 9.137 -18.005 -42.311 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.338 -19.157 -43.046 1.00 75.02 C ATOM 0 H PHE A 67 3.176 -18.181 -40.480 1.00 31.33 H new ATOM 0 HA PHE A 67 4.867 -16.910 -42.440 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.719 -17.792 -40.290 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.198 -19.406 -40.730 1.00 14.00 H new ATOM 0 HD1 PHE A 67 6.315 -20.588 -42.642 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.767 -16.883 -41.121 1.00 15.52 H new ATOM 0 HE1 PHE A 67 8.478 -20.987 -43.736 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.930 -17.278 -42.218 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.288 -19.332 -43.528 1.00 75.02 H new ATOM 1074 N ARG A 68 3.379 -19.757 -43.085 1.00 35.20 N ATOM 1075 CA ARG A 68 3.068 -20.712 -44.142 1.00 13.24 C ATOM 1076 C ARG A 68 2.127 -20.096 -45.172 1.00 42.44 C ATOM 1077 O ARG A 68 1.801 -20.719 -46.183 1.00 51.04 O ATOM 1078 CB ARG A 68 2.436 -21.973 -43.550 1.00 65.20 C ATOM 1079 CG ARG A 68 3.439 -23.079 -43.262 1.00 50.00 C ATOM 1080 CD ARG A 68 2.774 -24.275 -42.599 1.00 44.21 C ATOM 1081 NE ARG A 68 3.744 -25.138 -41.929 1.00 1.04 N ATOM 1082 CZ ARG A 68 4.529 -25.997 -42.567 1.00 43.45 C ATOM 1083 NH1 ARG A 68 4.461 -26.106 -43.887 1.00 73.52 N ATOM 1084 NH2 ARG A 68 5.387 -26.747 -41.888 1.00 33.20 N ATOM 0 H ARG A 68 2.848 -19.892 -42.225 1.00 35.20 H new ATOM 0 HA ARG A 68 4.000 -20.980 -44.640 1.00 13.24 H new ATOM 0 HB2 ARG A 68 1.921 -21.711 -42.626 1.00 65.20 H new ATOM 0 HB3 ARG A 68 1.681 -22.349 -44.240 1.00 65.20 H new ATOM 0 HG2 ARG A 68 3.912 -23.394 -44.192 1.00 50.00 H new ATOM 0 HG3 ARG A 68 4.229 -22.696 -42.616 1.00 50.00 H new ATOM 0 HD2 ARG A 68 2.038 -23.925 -41.875 1.00 44.21 H new ATOM 0 HD3 ARG A 68 2.233 -24.852 -43.350 1.00 44.21 H new ATOM 0 HE ARG A 68 3.822 -25.077 -40.914 1.00 1.04 H new ATOM 0 HH11 ARG A 68 3.805 -25.529 -44.413 1.00 73.52 H new ATOM 0 HH12 ARG A 68 5.065 -26.767 -44.376 1.00 73.52 H new ATOM 0 HH21 ARG A 68 5.445 -26.664 -40.873 1.00 33.20 H new ATOM 0 HH22 ARG A 68 5.989 -27.406 -42.381 1.00 33.20 H new ATOM 1098 N LYS A 69 1.694 -18.867 -44.910 1.00 73.43 N ATOM 1099 CA LYS A 69 0.791 -18.164 -45.814 1.00 73.42 C ATOM 1100 C LYS A 69 1.424 -17.995 -47.192 1.00 41.12 C ATOM 1101 O LYS A 69 0.726 -17.955 -48.206 1.00 52.53 O ATOM 1102 CB LYS A 69 0.423 -16.795 -45.239 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.674 -16.851 -44.190 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.030 -16.504 -44.782 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.076 -16.298 -43.697 1.00 72.15 C ATOM 1106 NZ LYS A 69 -3.067 -14.903 -43.175 1.00 71.33 N ATOM 0 H LYS A 69 1.954 -18.337 -44.078 1.00 73.43 H new ATOM 0 HA LYS A 69 -0.114 -18.762 -45.920 1.00 73.42 H new ATOM 0 HB2 LYS A 69 1.312 -16.344 -44.799 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.104 -16.143 -46.052 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.711 -17.849 -43.754 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.441 -16.158 -43.381 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -1.945 -15.599 -45.383 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.351 -17.302 -45.451 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -4.063 -16.530 -44.096 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.892 -16.993 -42.878 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -3.794 -14.804 -42.438 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -2.133 -14.689 -42.771 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -3.268 -14.241 -43.951 1.00 71.33 H new ATOM 1120 N LEU A 70 2.748 -17.897 -47.221 1.00 1.50 N ATOM 1121 CA LEU A 70 3.476 -17.733 -48.476 1.00 30.25 C ATOM 1122 C LEU A 70 4.380 -18.933 -48.741 1.00 52.51 C ATOM 1123 O LEU A 70 4.758 -19.671 -47.830 1.00 53.44 O ATOM 1124 CB LEU A 70 4.308 -16.450 -48.442 1.00 30.13 C ATOM 1125 CG LEU A 70 3.592 -15.173 -48.882 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.215 -15.084 -48.240 1.00 23.34 C ATOM 1127 CD2 LEU A 70 4.424 -13.948 -48.536 1.00 52.00 C ATOM 0 H LEU A 70 3.340 -17.928 -46.391 1.00 1.50 H new ATOM 0 HA LEU A 70 2.748 -17.664 -49.284 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.674 -16.305 -47.426 1.00 30.13 H new ATOM 0 HB3 LEU A 70 5.182 -16.590 -49.079 1.00 30.13 H new ATOM 0 HG LEU A 70 3.464 -15.206 -49.964 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.721 -14.169 -48.565 1.00 23.34 H new ATOM 0 HD12 LEU A 70 1.618 -15.945 -48.540 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.319 -15.075 -47.155 1.00 23.34 H new ATOM 0 HD21 LEU A 70 3.898 -13.049 -48.857 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.585 -13.910 -47.459 1.00 52.00 H new ATOM 0 HD23 LEU A 70 5.386 -14.006 -49.044 1.00 52.00 H new ATOM 1139 N PRO A 71 4.739 -19.132 -50.017 1.00 40.12 N ATOM 1140 CA PRO A 71 5.606 -20.239 -50.432 1.00 21.41 C ATOM 1141 C PRO A 71 7.042 -20.061 -49.954 1.00 4.43 C ATOM 1142 O PRO A 71 7.368 -19.075 -49.292 1.00 61.04 O ATOM 1143 CB PRO A 71 5.541 -20.187 -51.961 1.00 10.33 C ATOM 1144 CG PRO A 71 5.205 -18.771 -52.277 1.00 64.15 C ATOM 1145 CD PRO A 71 4.327 -18.292 -51.155 1.00 72.42 C ATOM 0 HA PRO A 71 5.282 -21.190 -50.010 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.492 -20.478 -52.408 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.785 -20.869 -52.349 1.00 10.33 H new ATOM 0 HG2 PRO A 71 6.107 -18.164 -52.353 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.689 -18.697 -53.235 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.480 -17.233 -50.949 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.270 -18.422 -51.388 1.00 72.42 H new ATOM 1153 N GLU A 72 7.898 -21.020 -50.293 1.00 64.42 N ATOM 1154 CA GLU A 72 9.300 -20.968 -49.897 1.00 2.33 C ATOM 1155 C GLU A 72 10.045 -19.885 -50.673 1.00 32.21 C ATOM 1156 O GLU A 72 10.769 -19.077 -50.092 1.00 64.11 O ATOM 1157 CB GLU A 72 9.968 -22.326 -50.124 1.00 3.30 C ATOM 1158 CG GLU A 72 11.450 -22.339 -49.784 1.00 14.02 C ATOM 1159 CD GLU A 72 12.010 -23.743 -49.677 1.00 23.34 C ATOM 1160 OE1 GLU A 72 11.214 -24.690 -49.507 1.00 4.25 O ATOM 1161 OE2 GLU A 72 13.247 -23.896 -49.764 1.00 2.14 O ATOM 0 H GLU A 72 7.645 -21.842 -50.841 1.00 64.42 H new ATOM 0 HA GLU A 72 9.343 -20.724 -48.836 1.00 2.33 H new ATOM 0 HB2 GLU A 72 9.459 -23.078 -49.521 1.00 3.30 H new ATOM 0 HB3 GLU A 72 9.840 -22.615 -51.167 1.00 3.30 H new ATOM 0 HG2 GLU A 72 11.999 -21.790 -50.549 1.00 14.02 H new ATOM 0 HG3 GLU A 72 11.607 -21.816 -48.841 1.00 14.02 H new ATOM 1168 N ASP A 73 9.862 -19.879 -51.988 1.00 54.44 N ATOM 1169 CA ASP A 73 10.515 -18.896 -52.847 1.00 22.54 C ATOM 1170 C ASP A 73 10.233 -17.477 -52.361 1.00 73.43 C ATOM 1171 O ASP A 73 11.085 -16.595 -52.461 1.00 20.35 O ATOM 1172 CB ASP A 73 10.045 -19.057 -54.293 1.00 11.40 C ATOM 1173 CG ASP A 73 10.929 -18.313 -55.275 1.00 35.22 C ATOM 1174 OD1 ASP A 73 12.005 -18.842 -55.623 1.00 60.34 O ATOM 1175 OD2 ASP A 73 10.542 -17.202 -55.696 1.00 64.21 O ATOM 0 H ASP A 73 9.267 -20.543 -52.484 1.00 54.44 H new ATOM 0 HA ASP A 73 11.590 -19.069 -52.803 1.00 22.54 H new ATOM 0 HB2 ASP A 73 10.030 -20.116 -54.552 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.021 -18.693 -54.382 1.00 11.40 H new ATOM 1180 N VAL A 74 9.030 -17.265 -51.837 1.00 22.21 N ATOM 1181 CA VAL A 74 8.634 -15.955 -51.336 1.00 51.24 C ATOM 1182 C VAL A 74 9.080 -15.761 -49.891 1.00 71.30 C ATOM 1183 O VAL A 74 9.627 -14.718 -49.534 1.00 64.14 O ATOM 1184 CB VAL A 74 7.109 -15.758 -51.422 1.00 4.32 C ATOM 1185 CG1 VAL A 74 6.692 -14.489 -50.695 1.00 2.42 C ATOM 1186 CG2 VAL A 74 6.658 -15.721 -52.875 1.00 20.32 C ATOM 0 H VAL A 74 8.312 -17.985 -51.749 1.00 22.21 H new ATOM 0 HA VAL A 74 9.124 -15.214 -51.967 1.00 51.24 H new ATOM 0 HB VAL A 74 6.623 -16.604 -50.935 1.00 4.32 H new ATOM 0 HG11 VAL A 74 5.611 -14.367 -50.767 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.980 -14.559 -49.646 1.00 2.42 H new ATOM 0 HG13 VAL A 74 7.185 -13.630 -51.150 1.00 2.42 H new ATOM 0 HG21 VAL A 74 5.578 -15.581 -52.917 1.00 20.32 H new ATOM 0 HG22 VAL A 74 7.151 -14.895 -53.388 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.922 -16.660 -53.362 1.00 20.32 H new ATOM 1196 N ARG A 75 8.842 -16.773 -49.064 1.00 32.22 N ATOM 1197 CA ARG A 75 9.218 -16.714 -47.656 1.00 2.22 C ATOM 1198 C ARG A 75 10.708 -16.425 -47.503 1.00 43.01 C ATOM 1199 O ARG A 75 11.109 -15.592 -46.691 1.00 52.32 O ATOM 1200 CB ARG A 75 8.868 -18.029 -46.957 1.00 70.20 C ATOM 1201 CG ARG A 75 7.462 -18.058 -46.382 1.00 33.21 C ATOM 1202 CD ARG A 75 7.370 -17.258 -45.092 1.00 64.25 C ATOM 1203 NE ARG A 75 6.231 -16.344 -45.094 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.148 -15.272 -44.315 1.00 52.41 C ATOM 1205 NH1 ARG A 75 7.132 -14.980 -43.476 1.00 43.22 N ATOM 1206 NH2 ARG A 75 5.079 -14.488 -44.376 1.00 22.23 N ATOM 0 H ARG A 75 8.391 -17.644 -49.344 1.00 32.22 H new ATOM 0 HA ARG A 75 8.658 -15.903 -47.190 1.00 2.22 H new ATOM 0 HB2 ARG A 75 8.978 -18.848 -47.667 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.583 -18.205 -46.154 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.761 -17.654 -47.112 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.166 -19.090 -46.193 1.00 33.21 H new ATOM 0 HD2 ARG A 75 7.285 -17.941 -44.247 1.00 64.25 H new ATOM 0 HD3 ARG A 75 8.290 -16.690 -44.951 1.00 64.25 H new ATOM 0 HE ARG A 75 5.457 -16.540 -45.729 1.00 60.01 H new ATOM 0 HH11 ARG A 75 7.956 -15.580 -43.428 1.00 43.22 H new ATOM 0 HH12 ARG A 75 7.065 -14.156 -42.879 1.00 43.22 H new ATOM 0 HH21 ARG A 75 4.321 -14.709 -45.021 1.00 22.23 H new ATOM 0 HH22 ARG A 75 5.016 -13.665 -43.777 1.00 22.23 H new ATOM 1220 N SER A 76 11.524 -17.120 -48.290 1.00 13.42 N ATOM 1221 CA SER A 76 12.971 -16.940 -48.239 1.00 72.25 C ATOM 1222 C SER A 76 13.350 -15.495 -48.548 1.00 24.11 C ATOM 1223 O SER A 76 14.429 -15.033 -48.179 1.00 72.30 O ATOM 1224 CB SER A 76 13.657 -17.883 -49.230 1.00 52.34 C ATOM 1225 OG SER A 76 13.981 -17.208 -50.434 1.00 11.12 O ATOM 0 H SER A 76 11.208 -17.812 -48.970 1.00 13.42 H new ATOM 0 HA SER A 76 13.307 -17.177 -47.230 1.00 72.25 H new ATOM 0 HB2 SER A 76 14.564 -18.290 -48.782 1.00 52.34 H new ATOM 0 HB3 SER A 76 13.002 -18.727 -49.447 1.00 52.34 H new ATOM 0 HG SER A 76 14.420 -17.831 -51.050 1.00 11.12 H new ATOM 1231 N ASN A 77 12.454 -14.786 -49.227 1.00 61.11 N ATOM 1232 CA ASN A 77 12.694 -13.393 -49.586 1.00 63.22 C ATOM 1233 C ASN A 77 12.069 -12.452 -48.561 1.00 4.51 C ATOM 1234 O ASN A 77 11.734 -11.310 -48.875 1.00 30.21 O ATOM 1235 CB ASN A 77 12.129 -13.099 -50.978 1.00 34.15 C ATOM 1236 CG ASN A 77 13.042 -13.583 -52.087 1.00 2.31 C ATOM 1237 OD1 ASN A 77 13.525 -12.791 -52.897 1.00 62.33 O ATOM 1238 ND2 ASN A 77 13.282 -14.887 -52.128 1.00 63.33 N ATOM 0 H ASN A 77 11.555 -15.153 -49.540 1.00 61.11 H new ATOM 0 HA ASN A 77 13.771 -13.226 -49.596 1.00 63.22 H new ATOM 0 HB2 ASN A 77 11.154 -13.576 -51.080 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.971 -12.026 -51.084 1.00 34.15 H new ATOM 0 HD21 ASN A 77 13.889 -15.271 -52.852 1.00 63.33 H new ATOM 0 HD22 ASN A 77 12.860 -15.505 -51.435 1.00 63.33 H new ATOM 1245 N VAL A 78 11.918 -12.939 -47.333 1.00 54.35 N ATOM 1246 CA VAL A 78 11.335 -12.141 -46.262 1.00 25.14 C ATOM 1247 C VAL A 78 12.347 -11.143 -45.708 1.00 53.34 C ATOM 1248 O VAL A 78 13.475 -11.505 -45.376 1.00 13.31 O ATOM 1249 CB VAL A 78 10.828 -13.031 -45.112 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.977 -13.817 -44.497 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.124 -12.190 -44.057 1.00 61.01 C ATOM 0 H VAL A 78 12.191 -13.882 -47.056 1.00 54.35 H new ATOM 0 HA VAL A 78 10.492 -11.600 -46.692 1.00 25.14 H new ATOM 0 HB VAL A 78 10.108 -13.742 -45.518 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.599 -14.440 -43.686 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.433 -14.450 -45.258 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.723 -13.125 -44.105 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.772 -12.836 -43.252 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.820 -11.454 -43.654 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.275 -11.677 -44.508 1.00 61.01 H new ATOM 1261 N ASP A 79 11.934 -9.883 -45.612 1.00 75.02 N ATOM 1262 CA ASP A 79 12.802 -8.831 -45.098 1.00 32.13 C ATOM 1263 C ASP A 79 12.008 -7.828 -44.267 1.00 22.35 C ATOM 1264 O ASP A 79 10.801 -7.981 -44.080 1.00 11.20 O ATOM 1265 CB ASP A 79 13.507 -8.113 -46.250 1.00 14.11 C ATOM 1266 CG ASP A 79 12.832 -8.361 -47.585 1.00 70.21 C ATOM 1267 OD1 ASP A 79 11.834 -7.671 -47.882 1.00 63.45 O ATOM 1268 OD2 ASP A 79 13.302 -9.245 -48.333 1.00 12.03 O ATOM 0 H ASP A 79 11.003 -9.566 -45.884 1.00 75.02 H new ATOM 0 HA ASP A 79 13.551 -9.294 -44.456 1.00 32.13 H new ATOM 0 HB2 ASP A 79 13.527 -7.042 -46.049 1.00 14.11 H new ATOM 0 HB3 ASP A 79 14.543 -8.446 -46.302 1.00 14.11 H new ATOM 1273 N ALA A 80 12.693 -6.805 -43.769 1.00 44.44 N ATOM 1274 CA ALA A 80 12.052 -5.777 -42.959 1.00 1.03 C ATOM 1275 C ALA A 80 10.822 -5.213 -43.660 1.00 60.14 C ATOM 1276 O ALA A 80 9.768 -5.044 -43.048 1.00 3.35 O ATOM 1277 CB ALA A 80 13.038 -4.663 -42.641 1.00 43.13 C ATOM 0 H ALA A 80 13.693 -6.666 -43.912 1.00 44.44 H new ATOM 0 HA ALA A 80 11.727 -6.236 -42.025 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.545 -3.903 -42.036 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.885 -5.073 -42.090 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.392 -4.214 -43.569 1.00 43.13 H new ATOM 1283 N ALA A 81 10.963 -4.922 -44.950 1.00 21.32 N ATOM 1284 CA ALA A 81 9.863 -4.378 -45.735 1.00 55.31 C ATOM 1285 C ALA A 81 8.630 -5.271 -45.647 1.00 31.04 C ATOM 1286 O ALA A 81 7.561 -4.830 -45.227 1.00 33.41 O ATOM 1287 CB ALA A 81 10.286 -4.203 -47.187 1.00 13.35 C ATOM 0 H ALA A 81 11.829 -5.054 -45.473 1.00 21.32 H new ATOM 0 HA ALA A 81 9.604 -3.403 -45.322 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.454 -3.796 -47.762 1.00 13.35 H new ATOM 0 HB2 ALA A 81 11.133 -3.519 -47.239 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.574 -5.169 -47.601 1.00 13.35 H new ATOM 1293 N SER A 82 8.788 -6.530 -46.045 1.00 54.12 N ATOM 1294 CA SER A 82 7.686 -7.485 -46.015 1.00 14.13 C ATOM 1295 C SER A 82 7.073 -7.562 -44.619 1.00 30.51 C ATOM 1296 O SER A 82 5.860 -7.438 -44.454 1.00 1.33 O ATOM 1297 CB SER A 82 8.171 -8.869 -46.449 1.00 73.02 C ATOM 1298 OG SER A 82 9.009 -8.781 -47.589 1.00 11.21 O ATOM 0 H SER A 82 9.668 -6.912 -46.392 1.00 54.12 H new ATOM 0 HA SER A 82 6.920 -7.142 -46.711 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.714 -9.341 -45.630 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.314 -9.505 -46.672 1.00 73.02 H new ATOM 0 HG SER A 82 9.307 -9.678 -47.846 1.00 11.21 H new ATOM 1304 N ALA A 83 7.922 -7.771 -43.618 1.00 34.11 N ATOM 1305 CA ALA A 83 7.466 -7.864 -42.237 1.00 62.10 C ATOM 1306 C ALA A 83 6.646 -6.640 -41.845 1.00 53.55 C ATOM 1307 O ALA A 83 5.507 -6.762 -41.393 1.00 1.10 O ATOM 1308 CB ALA A 83 8.653 -8.028 -41.299 1.00 14.31 C ATOM 0 H ALA A 83 8.929 -7.879 -43.738 1.00 34.11 H new ATOM 0 HA ALA A 83 6.825 -8.741 -42.151 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.298 -8.096 -40.271 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.197 -8.937 -41.556 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.316 -7.168 -41.397 1.00 14.31 H new ATOM 1314 N ARG A 84 7.232 -5.460 -42.023 1.00 14.24 N ATOM 1315 CA ARG A 84 6.554 -4.213 -41.686 1.00 42.23 C ATOM 1316 C ARG A 84 5.180 -4.146 -42.343 1.00 55.53 C ATOM 1317 O ARG A 84 4.200 -3.743 -41.715 1.00 43.13 O ATOM 1318 CB ARG A 84 7.400 -3.014 -42.124 1.00 72.41 C ATOM 1319 CG ARG A 84 8.516 -2.670 -41.152 1.00 43.35 C ATOM 1320 CD ARG A 84 8.854 -1.188 -41.195 1.00 30.14 C ATOM 1321 NE ARG A 84 9.462 -0.801 -42.465 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.170 0.311 -42.633 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.358 1.140 -41.616 1.00 30.24 N ATOM 1324 NH2 ARG A 84 10.692 0.593 -43.820 1.00 14.35 N ATOM 0 H ARG A 84 8.173 -5.341 -42.398 1.00 14.24 H new ATOM 0 HA ARG A 84 6.422 -4.181 -40.605 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.833 -3.223 -43.102 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.751 -2.146 -42.242 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.218 -2.947 -40.141 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.404 -3.254 -41.394 1.00 43.35 H new ATOM 0 HD2 ARG A 84 7.947 -0.605 -41.035 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.536 -0.948 -40.379 1.00 30.14 H new ATOM 0 HE ARG A 84 9.336 -1.418 -43.267 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.959 0.925 -40.702 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.902 1.993 -41.747 1.00 30.24 H new ATOM 0 HH21 ARG A 84 10.550 -0.044 -44.604 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.235 1.447 -43.948 1.00 14.35 H new ATOM 1338 N GLU A 85 5.115 -4.543 -43.610 1.00 51.11 N ATOM 1339 CA GLU A 85 3.860 -4.526 -44.352 1.00 55.12 C ATOM 1340 C GLU A 85 2.895 -5.580 -43.814 1.00 1.33 C ATOM 1341 O GLU A 85 1.680 -5.376 -43.801 1.00 32.23 O ATOM 1342 CB GLU A 85 4.118 -4.769 -45.840 1.00 75.34 C ATOM 1343 CG GLU A 85 5.046 -3.747 -46.472 1.00 45.21 C ATOM 1344 CD GLU A 85 4.298 -2.675 -47.241 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.225 -2.246 -46.767 1.00 42.31 O ATOM 1346 OE2 GLU A 85 4.785 -2.265 -48.315 1.00 3.32 O ATOM 0 H GLU A 85 5.916 -4.880 -44.144 1.00 51.11 H new ATOM 0 HA GLU A 85 3.406 -3.543 -44.225 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.545 -5.763 -45.968 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.166 -4.760 -46.371 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.647 -3.277 -45.693 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.737 -4.256 -47.144 1.00 45.21 H new ATOM 1353 N LEU A 86 3.445 -6.704 -43.370 1.00 22.40 N ATOM 1354 CA LEU A 86 2.634 -7.791 -42.831 1.00 21.33 C ATOM 1355 C LEU A 86 2.041 -7.407 -41.479 1.00 20.32 C ATOM 1356 O LEU A 86 0.894 -7.740 -41.178 1.00 2.34 O ATOM 1357 CB LEU A 86 3.477 -9.060 -42.689 1.00 74.11 C ATOM 1358 CG LEU A 86 3.699 -9.865 -43.970 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.033 -10.592 -43.918 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.560 -10.850 -44.186 1.00 0.22 C ATOM 0 H LEU A 86 4.448 -6.887 -43.372 1.00 22.40 H new ATOM 0 HA LEU A 86 1.816 -7.982 -43.526 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.450 -8.782 -42.285 1.00 74.11 H new ATOM 0 HB3 LEU A 86 3.000 -9.709 -41.954 1.00 74.11 H new ATOM 0 HG LEU A 86 3.718 -9.173 -44.812 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.174 -11.160 -44.838 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.839 -9.866 -43.812 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.044 -11.272 -43.066 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.735 -11.414 -45.102 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.508 -11.537 -43.341 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.619 -10.306 -44.269 1.00 0.22 H new ATOM 1372 N MET A 87 2.828 -6.706 -40.670 1.00 55.22 N ATOM 1373 CA MET A 87 2.377 -6.275 -39.352 1.00 3.41 C ATOM 1374 C MET A 87 1.353 -5.150 -39.468 1.00 3.31 C ATOM 1375 O MET A 87 0.334 -5.151 -38.777 1.00 33.02 O ATOM 1376 CB MET A 87 3.568 -5.811 -38.510 1.00 13.51 C ATOM 1377 CG MET A 87 4.164 -6.907 -37.643 1.00 72.40 C ATOM 1378 SD MET A 87 5.456 -7.837 -38.489 1.00 23.01 S ATOM 1379 CE MET A 87 4.482 -9.070 -39.347 1.00 34.44 C ATOM 0 H MET A 87 3.780 -6.424 -40.903 1.00 55.22 H new ATOM 0 HA MET A 87 1.902 -7.125 -38.862 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.341 -5.423 -39.173 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.252 -4.986 -37.872 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.575 -6.464 -36.736 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.373 -7.590 -37.334 1.00 72.40 H new ATOM 0 HE1 MET A 87 4.922 -9.265 -40.325 1.00 34.44 H new ATOM 0 HE2 MET A 87 4.468 -9.992 -38.765 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.463 -8.705 -39.474 1.00 34.44 H new ATOM 1389 N LEU A 88 1.630 -4.192 -40.346 1.00 0.04 N ATOM 1390 CA LEU A 88 0.732 -3.061 -40.552 1.00 32.32 C ATOM 1391 C LEU A 88 -0.590 -3.519 -41.158 1.00 31.41 C ATOM 1392 O LEU A 88 -1.661 -3.074 -40.745 1.00 51.04 O ATOM 1393 CB LEU A 88 1.390 -2.021 -41.461 1.00 71.42 C ATOM 1394 CG LEU A 88 1.040 -0.561 -41.175 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.684 0.354 -42.204 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.469 -0.368 -41.158 1.00 33.15 C ATOM 0 H LEU A 88 2.469 -4.176 -40.926 1.00 0.04 H new ATOM 0 HA LEU A 88 0.528 -2.609 -39.581 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.471 -2.136 -41.387 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.116 -2.244 -42.492 1.00 71.42 H new ATOM 0 HG LEU A 88 1.431 -0.300 -40.192 1.00 15.31 H new ATOM 0 HD11 LEU A 88 1.423 1.389 -41.984 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.767 0.237 -42.168 1.00 0.02 H new ATOM 0 HD13 LEU A 88 1.324 0.093 -43.199 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.700 0.677 -40.953 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -0.883 -0.648 -42.127 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -0.907 -0.995 -40.382 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.509 -4.414 -42.139 1.00 5.24 N ATOM 1409 CA ALA A 89 -1.698 -4.935 -42.798 1.00 72.31 C ATOM 1410 C ALA A 89 -2.441 -5.915 -41.896 1.00 53.31 C ATOM 1411 O ALA A 89 -3.658 -5.822 -41.733 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.322 -5.606 -44.111 1.00 53.34 C ATOM 0 H ALA A 89 0.369 -4.792 -42.494 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.364 -4.097 -43.007 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.221 -5.991 -44.593 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -0.841 -4.880 -44.766 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -0.634 -6.429 -43.915 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.701 -6.852 -41.312 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.292 -7.850 -40.428 1.00 12.45 C ATOM 1420 C GLN A 90 -1.450 -8.027 -39.168 1.00 41.24 C ATOM 1421 O GLN A 90 -0.688 -8.985 -39.032 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.432 -9.189 -41.155 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.197 -9.581 -41.949 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.391 -10.862 -42.735 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.961 -11.873 -42.089 1.00 50.25 O flip ATOM 1426 NE2 GLN A 90 -1.035 -10.943 -43.910 1.00 33.14 N flip ATOM 0 H GLN A 90 -0.692 -6.941 -41.435 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.282 -7.499 -40.136 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.647 -9.969 -40.425 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.287 -9.139 -41.829 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -0.939 -8.774 -42.635 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.355 -9.701 -41.268 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -0.601 -10.141 -44.368 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.174 -11.812 -44.426 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.588 -7.083 -38.225 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.847 -7.113 -36.961 1.00 32.24 C ATOM 1437 C PRO A 91 -1.314 -8.237 -36.042 1.00 54.10 C ATOM 1438 O PRO A 91 -0.705 -8.497 -35.005 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.155 -5.749 -36.337 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.463 -5.349 -36.928 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.477 -5.913 -38.322 1.00 34.13 C ATOM 0 HA PRO A 91 0.216 -7.296 -37.116 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.215 -5.815 -35.251 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.377 -5.022 -36.570 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.293 -5.741 -36.340 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.568 -4.264 -36.945 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.483 -6.197 -38.631 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.112 -5.190 -39.052 1.00 34.13 H new ATOM 1449 N SER A 92 -2.399 -8.900 -36.431 1.00 20.51 N ATOM 1450 CA SER A 92 -2.950 -9.995 -35.640 1.00 11.34 C ATOM 1451 C SER A 92 -1.924 -11.109 -35.465 1.00 43.02 C ATOM 1452 O SER A 92 -2.027 -11.925 -34.550 1.00 60.53 O ATOM 1453 CB SER A 92 -4.212 -10.548 -36.305 1.00 1.20 C ATOM 1454 OG SER A 92 -3.905 -11.644 -37.149 1.00 33.02 O ATOM 0 H SER A 92 -2.913 -8.698 -37.288 1.00 20.51 H new ATOM 0 HA SER A 92 -3.208 -9.605 -34.655 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.922 -10.862 -35.540 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.695 -9.762 -36.885 1.00 1.20 H new ATOM 0 HG SER A 92 -4.728 -11.980 -37.561 1.00 33.02 H new ATOM 1460 N MET A 93 -0.933 -11.136 -36.350 1.00 64.00 N ATOM 1461 CA MET A 93 0.115 -12.150 -36.294 1.00 11.03 C ATOM 1462 C MET A 93 1.238 -11.719 -35.357 1.00 22.03 C ATOM 1463 O MET A 93 2.044 -12.540 -34.918 1.00 62.52 O ATOM 1464 CB MET A 93 0.674 -12.413 -37.694 1.00 21.24 C ATOM 1465 CG MET A 93 1.569 -11.298 -38.209 1.00 71.33 C ATOM 1466 SD MET A 93 2.271 -11.664 -39.829 1.00 63.23 S ATOM 1467 CE MET A 93 0.788 -12.023 -40.768 1.00 50.03 C ATOM 0 H MET A 93 -0.833 -10.468 -37.114 1.00 64.00 H new ATOM 0 HA MET A 93 -0.323 -13.070 -35.907 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.239 -13.345 -37.682 1.00 21.24 H new ATOM 0 HB3 MET A 93 -0.155 -12.552 -38.387 1.00 21.24 H new ATOM 0 HG2 MET A 93 0.995 -10.373 -38.267 1.00 71.33 H new ATOM 0 HG3 MET A 93 2.377 -11.128 -37.497 1.00 71.33 H new ATOM 0 HE1 MET A 93 0.924 -11.701 -41.800 1.00 50.03 H new ATOM 0 HE2 MET A 93 0.594 -13.095 -40.745 1.00 50.03 H new ATOM 0 HE3 MET A 93 -0.057 -11.492 -40.330 1.00 50.03 H new ATOM 1477 N VAL A 94 1.287 -10.426 -35.053 1.00 52.44 N ATOM 1478 CA VAL A 94 2.311 -9.887 -34.168 1.00 10.35 C ATOM 1479 C VAL A 94 2.391 -10.684 -32.870 1.00 43.41 C ATOM 1480 O VAL A 94 1.376 -11.144 -32.347 1.00 40.44 O ATOM 1481 CB VAL A 94 2.042 -8.407 -33.832 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.076 -7.886 -32.845 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.033 -7.567 -35.101 1.00 35.21 C ATOM 0 H VAL A 94 0.628 -9.732 -35.407 1.00 52.44 H new ATOM 0 HA VAL A 94 3.260 -9.965 -34.699 1.00 10.35 H new ATOM 0 HB VAL A 94 1.060 -8.331 -33.365 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.869 -6.840 -32.620 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.029 -8.471 -31.926 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.071 -7.974 -33.281 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.842 -6.525 -34.846 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.000 -7.648 -35.598 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.251 -7.926 -35.770 1.00 35.21 H new ATOM 1493 N LYS A 95 3.605 -10.843 -32.354 1.00 21.24 N ATOM 1494 CA LYS A 95 3.820 -11.583 -31.116 1.00 1.24 C ATOM 1495 C LYS A 95 2.901 -11.072 -30.011 1.00 13.35 C ATOM 1496 O LYS A 95 2.363 -9.968 -30.098 1.00 52.22 O ATOM 1497 CB LYS A 95 5.280 -11.466 -30.674 1.00 62.41 C ATOM 1498 CG LYS A 95 5.782 -12.677 -29.907 1.00 12.43 C ATOM 1499 CD LYS A 95 5.793 -13.923 -30.776 1.00 23.31 C ATOM 1500 CE LYS A 95 6.791 -14.950 -30.264 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.091 -15.990 -31.286 1.00 64.41 N ATOM 0 H LYS A 95 4.456 -10.469 -32.774 1.00 21.24 H new ATOM 0 HA LYS A 95 3.587 -12.631 -31.303 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.906 -11.318 -31.554 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.392 -10.579 -30.050 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.788 -12.482 -29.536 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.148 -12.845 -29.036 1.00 12.43 H new ATOM 0 HD2 LYS A 95 4.796 -14.362 -30.797 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.043 -13.651 -31.801 1.00 23.31 H new ATOM 0 HE2 LYS A 95 7.714 -14.447 -29.976 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.394 -15.426 -29.367 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.775 -16.671 -30.898 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 6.215 -16.488 -31.543 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.493 -15.539 -32.132 1.00 64.41 H new ATOM 1515 N ARG A 96 2.727 -11.881 -28.971 1.00 23.43 N ATOM 1516 CA ARG A 96 1.874 -11.511 -27.848 1.00 52.42 C ATOM 1517 C ARG A 96 2.006 -12.517 -26.709 1.00 73.24 C ATOM 1518 O ARG A 96 2.440 -13.653 -26.899 1.00 25.00 O ATOM 1519 CB ARG A 96 0.414 -11.421 -28.298 1.00 2.41 C ATOM 1520 CG ARG A 96 0.057 -12.398 -29.406 1.00 32.35 C ATOM 1521 CD ARG A 96 0.369 -13.832 -29.006 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.228 -14.799 -29.924 1.00 4.33 N ATOM 1523 CZ ARG A 96 0.185 -16.055 -30.038 1.00 22.53 C ATOM 1524 NH1 ARG A 96 1.192 -16.496 -29.295 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -0.408 -16.875 -30.895 1.00 31.42 N ATOM 0 H ARG A 96 3.166 -12.798 -28.883 1.00 23.43 H new ATOM 0 HA ARG A 96 2.197 -10.535 -27.485 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.234 -11.605 -27.441 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.210 -10.406 -28.640 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -1.003 -12.308 -29.645 1.00 32.35 H new ATOM 0 HG3 ARG A 96 0.610 -12.143 -30.310 1.00 32.35 H new ATOM 0 HD2 ARG A 96 1.449 -13.975 -28.982 1.00 1.31 H new ATOM 0 HD3 ARG A 96 0.000 -14.015 -27.997 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.005 -14.492 -30.509 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.651 -15.869 -28.634 1.00 21.10 H new ATOM 0 HH12 ARG A 96 1.507 -17.462 -29.385 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.183 -16.541 -31.468 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -0.089 -17.840 -30.981 1.00 31.42 H new ATOM 1539 N PRO A 97 1.621 -12.093 -25.497 1.00 5.45 N ATOM 1540 CA PRO A 97 1.103 -10.742 -25.258 1.00 55.21 C ATOM 1541 C PRO A 97 2.181 -9.673 -25.399 1.00 1.12 C ATOM 1542 O PRO A 97 3.371 -9.955 -25.258 1.00 11.34 O ATOM 1543 CB PRO A 97 0.598 -10.806 -23.814 1.00 63.23 C ATOM 1544 CG PRO A 97 1.401 -11.889 -23.180 1.00 53.40 C ATOM 1545 CD PRO A 97 1.666 -12.897 -24.264 1.00 14.11 C ATOM 0 HA PRO A 97 0.335 -10.467 -25.981 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.742 -9.855 -23.302 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.468 -11.030 -23.777 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.334 -11.497 -22.775 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.859 -12.342 -22.350 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.634 -13.381 -24.135 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.914 -13.686 -24.271 1.00 14.11 H new ATOM 1553 N VAL A 98 1.758 -8.445 -25.679 1.00 75.11 N ATOM 1554 CA VAL A 98 2.687 -7.333 -25.838 1.00 22.51 C ATOM 1555 C VAL A 98 2.467 -6.275 -24.763 1.00 20.24 C ATOM 1556 O VAL A 98 1.331 -5.914 -24.454 1.00 74.34 O ATOM 1557 CB VAL A 98 2.546 -6.677 -27.224 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.490 -5.492 -27.353 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.802 -7.696 -28.324 1.00 73.13 C ATOM 0 H VAL A 98 0.777 -8.195 -25.801 1.00 75.11 H new ATOM 0 HA VAL A 98 3.692 -7.744 -25.739 1.00 22.51 H new ATOM 0 HB VAL A 98 1.525 -6.310 -27.331 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.376 -5.042 -28.339 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.254 -4.753 -26.587 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.518 -5.830 -27.226 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.698 -7.215 -29.297 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.811 -8.095 -28.222 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.080 -8.509 -28.242 1.00 73.13 H new ATOM 1569 N LEU A 99 3.561 -5.781 -24.194 1.00 44.10 N ATOM 1570 CA LEU A 99 3.489 -4.763 -23.152 1.00 22.24 C ATOM 1571 C LEU A 99 4.102 -3.450 -23.631 1.00 30.44 C ATOM 1572 O LEU A 99 5.237 -3.420 -24.103 1.00 63.23 O ATOM 1573 CB LEU A 99 4.208 -5.244 -21.891 1.00 31.22 C ATOM 1574 CG LEU A 99 3.352 -6.010 -20.881 1.00 2.12 C ATOM 1575 CD1 LEU A 99 2.619 -7.155 -21.562 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.212 -6.529 -19.738 1.00 2.44 C ATOM 0 H LEU A 99 4.509 -6.069 -24.437 1.00 44.10 H new ATOM 0 HA LEU A 99 2.438 -4.589 -22.920 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.038 -5.883 -22.192 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.638 -4.377 -21.389 1.00 31.22 H new ATOM 0 HG LEU A 99 2.610 -5.325 -20.469 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.015 -7.688 -20.828 1.00 64.20 H new ATOM 0 HD12 LEU A 99 1.972 -6.759 -22.345 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.343 -7.840 -22.002 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.586 -7.071 -19.029 1.00 2.44 H new ATOM 0 HD22 LEU A 99 4.977 -7.198 -20.133 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.690 -5.690 -19.232 1.00 2.44 H new ATOM 1588 N GLU A 100 3.341 -2.367 -23.502 1.00 64.22 N ATOM 1589 CA GLU A 100 3.810 -1.052 -23.920 1.00 43.31 C ATOM 1590 C GLU A 100 4.027 -0.142 -22.714 1.00 30.33 C ATOM 1591 O GLU A 100 3.198 -0.091 -21.805 1.00 5.33 O ATOM 1592 CB GLU A 100 2.809 -0.410 -24.882 1.00 12.53 C ATOM 1593 CG GLU A 100 3.401 0.710 -25.720 1.00 51.33 C ATOM 1594 CD GLU A 100 3.363 2.051 -25.013 1.00 23.35 C ATOM 1595 OE1 GLU A 100 2.835 2.112 -23.884 1.00 13.23 O ATOM 1596 OE2 GLU A 100 3.864 3.039 -25.590 1.00 3.32 O ATOM 0 H GLU A 100 2.399 -2.375 -23.112 1.00 64.22 H new ATOM 0 HA GLU A 100 4.763 -1.182 -24.432 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.412 -1.178 -25.546 1.00 12.53 H new ATOM 0 HB3 GLU A 100 1.968 -0.018 -24.310 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.433 0.465 -25.970 1.00 51.33 H new ATOM 0 HG3 GLU A 100 2.854 0.783 -26.660 1.00 51.33 H new ATOM 1603 N ARG A 101 5.147 0.572 -22.713 1.00 4.25 N ATOM 1604 CA ARG A 101 5.476 1.478 -21.618 1.00 32.41 C ATOM 1605 C ARG A 101 6.577 2.452 -22.028 1.00 74.21 C ATOM 1606 O ARG A 101 7.660 2.039 -22.445 1.00 12.55 O ATOM 1607 CB ARG A 101 5.914 0.685 -20.385 1.00 44.21 C ATOM 1608 CG ARG A 101 7.002 -0.336 -20.674 1.00 1.21 C ATOM 1609 CD ARG A 101 7.427 -1.071 -19.412 1.00 54.35 C ATOM 1610 NE ARG A 101 7.943 -0.158 -18.395 1.00 52.24 N ATOM 1611 CZ ARG A 101 8.275 -0.539 -17.167 1.00 25.22 C ATOM 1612 NH1 ARG A 101 8.147 -1.808 -16.806 1.00 24.34 N ATOM 1613 NH2 ARG A 101 8.739 0.350 -16.298 1.00 11.44 N ATOM 0 H ARG A 101 5.843 0.541 -23.458 1.00 4.25 H new ATOM 0 HA ARG A 101 4.582 2.051 -21.374 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.272 1.379 -19.625 1.00 44.21 H new ATOM 0 HB3 ARG A 101 5.048 0.172 -19.966 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.642 -1.054 -21.411 1.00 1.21 H new ATOM 0 HG3 ARG A 101 7.865 0.165 -21.113 1.00 1.21 H new ATOM 0 HD2 ARG A 101 6.576 -1.620 -19.008 1.00 54.35 H new ATOM 0 HD3 ARG A 101 8.192 -1.806 -19.661 1.00 54.35 H new ATOM 0 HE ARG A 101 8.054 0.825 -18.642 1.00 52.24 H new ATOM 0 HH11 ARG A 101 7.793 -2.494 -17.472 1.00 24.34 H new ATOM 0 HH12 ARG A 101 8.403 -2.098 -15.862 1.00 24.34 H new ATOM 0 HH21 ARG A 101 8.841 1.327 -16.573 1.00 11.44 H new ATOM 0 HH22 ARG A 101 8.994 0.056 -15.355 1.00 11.44 H new ATOM 1627 N ASP A 102 6.292 3.743 -21.909 1.00 73.03 N ATOM 1628 CA ASP A 102 7.257 4.776 -22.267 1.00 63.23 C ATOM 1629 C ASP A 102 7.774 4.567 -23.687 1.00 24.24 C ATOM 1630 O ASP A 102 8.901 4.940 -24.009 1.00 10.42 O ATOM 1631 CB ASP A 102 8.426 4.775 -21.280 1.00 41.13 C ATOM 1632 CG ASP A 102 7.969 4.916 -19.842 1.00 72.41 C ATOM 1633 OD1 ASP A 102 7.638 3.883 -19.221 1.00 22.03 O ATOM 1634 OD2 ASP A 102 7.943 6.057 -19.336 1.00 51.21 O ATOM 0 H ASP A 102 5.400 4.100 -21.567 1.00 73.03 H new ATOM 0 HA ASP A 102 6.753 5.742 -22.221 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.990 3.849 -21.390 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.105 5.592 -21.524 1.00 41.13 H new ATOM 1639 N GLY A 103 6.941 3.967 -24.533 1.00 2.43 N ATOM 1640 CA GLY A 103 7.333 3.719 -25.908 1.00 31.54 C ATOM 1641 C GLY A 103 7.978 2.359 -26.090 1.00 30.50 C ATOM 1642 O GLY A 103 7.677 1.642 -27.045 1.00 10.41 O ATOM 0 H GLY A 103 6.003 3.649 -24.290 1.00 2.43 H new ATOM 0 HA2 GLY A 103 6.456 3.791 -26.551 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.029 4.494 -26.230 1.00 31.54 H new ATOM 1646 N LYS A 104 8.870 2.002 -25.173 1.00 25.14 N ATOM 1647 CA LYS A 104 9.561 0.720 -25.236 1.00 25.34 C ATOM 1648 C LYS A 104 8.572 -0.438 -25.144 1.00 14.23 C ATOM 1649 O LYS A 104 7.783 -0.520 -24.202 1.00 31.24 O ATOM 1650 CB LYS A 104 10.590 0.615 -24.107 1.00 11.12 C ATOM 1651 CG LYS A 104 11.936 1.228 -24.452 1.00 33.24 C ATOM 1652 CD LYS A 104 13.041 0.681 -23.563 1.00 41.15 C ATOM 1653 CE LYS A 104 14.405 0.826 -24.220 1.00 4.32 C ATOM 1654 NZ LYS A 104 14.591 -0.142 -25.336 1.00 32.45 N ATOM 0 H LYS A 104 9.132 2.583 -24.377 1.00 25.14 H new ATOM 0 HA LYS A 104 10.075 0.661 -26.195 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.193 1.106 -23.218 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.733 -0.435 -23.853 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.173 1.024 -25.496 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.882 2.311 -24.343 1.00 33.24 H new ATOM 0 HD2 LYS A 104 13.037 1.208 -22.609 1.00 41.15 H new ATOM 0 HD3 LYS A 104 12.849 -0.370 -23.347 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.519 1.842 -24.598 1.00 4.32 H new ATOM 0 HE3 LYS A 104 15.185 0.674 -23.474 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 15.601 -0.204 -25.577 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 14.246 -1.079 -25.044 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 14.056 0.180 -26.168 1.00 32.45 H new ATOM 1668 N LEU A 105 8.618 -1.329 -26.127 1.00 31.53 N ATOM 1669 CA LEU A 105 7.726 -2.483 -26.157 1.00 20.33 C ATOM 1670 C LEU A 105 8.418 -3.720 -25.593 1.00 75.31 C ATOM 1671 O LEU A 105 9.640 -3.842 -25.655 1.00 23.42 O ATOM 1672 CB LEU A 105 7.258 -2.753 -27.588 1.00 32.41 C ATOM 1673 CG LEU A 105 5.878 -3.396 -27.731 1.00 52.15 C ATOM 1674 CD1 LEU A 105 4.785 -2.397 -27.381 1.00 35.41 C ATOM 1675 CD2 LEU A 105 5.682 -3.929 -29.144 1.00 22.22 C ATOM 0 H LEU A 105 9.264 -1.275 -26.915 1.00 31.53 H new ATOM 0 HA LEU A 105 6.860 -2.259 -25.535 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.255 -1.809 -28.133 1.00 32.41 H new ATOM 0 HB3 LEU A 105 7.990 -3.399 -28.073 1.00 32.41 H new ATOM 0 HG LEU A 105 5.814 -4.233 -27.035 1.00 52.15 H new ATOM 0 HD11 LEU A 105 3.810 -2.872 -27.488 1.00 35.41 H new ATOM 0 HD12 LEU A 105 4.914 -2.062 -26.352 1.00 35.41 H new ATOM 0 HD13 LEU A 105 4.847 -1.540 -28.052 1.00 35.41 H new ATOM 0 HD21 LEU A 105 4.695 -4.383 -29.228 1.00 22.22 H new ATOM 0 HD22 LEU A 105 5.766 -3.109 -29.857 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.445 -4.677 -29.360 1.00 22.22 H new ATOM 1687 N MET A 106 7.626 -4.637 -25.046 1.00 74.33 N ATOM 1688 CA MET A 106 8.161 -5.867 -24.475 1.00 20.31 C ATOM 1689 C MET A 106 7.350 -7.076 -24.929 1.00 43.33 C ATOM 1690 O MET A 106 6.124 -7.012 -25.030 1.00 3.02 O ATOM 1691 CB MET A 106 8.165 -5.786 -22.947 1.00 44.33 C ATOM 1692 CG MET A 106 9.260 -6.616 -22.297 1.00 71.01 C ATOM 1693 SD MET A 106 9.590 -6.120 -20.595 1.00 50.21 S ATOM 1694 CE MET A 106 8.639 -7.343 -19.696 1.00 61.54 C ATOM 0 H MET A 106 6.611 -4.551 -24.986 1.00 74.33 H new ATOM 0 HA MET A 106 9.185 -5.986 -24.828 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.283 -4.745 -22.647 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.197 -6.118 -22.571 1.00 44.33 H new ATOM 0 HG2 MET A 106 8.973 -7.667 -22.316 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.175 -6.525 -22.882 1.00 71.01 H new ATOM 0 HE1 MET A 106 8.742 -7.169 -18.625 1.00 61.54 H new ATOM 0 HE2 MET A 106 7.589 -7.265 -19.977 1.00 61.54 H new ATOM 0 HE3 MET A 106 9.007 -8.340 -19.938 1.00 61.54 H new ATOM 1704 N VAL A 107 8.041 -8.178 -25.203 1.00 75.01 N ATOM 1705 CA VAL A 107 7.384 -9.402 -25.646 1.00 61.12 C ATOM 1706 C VAL A 107 7.046 -10.304 -24.464 1.00 44.11 C ATOM 1707 O VAL A 107 7.857 -10.484 -23.556 1.00 61.33 O ATOM 1708 CB VAL A 107 8.265 -10.184 -26.639 1.00 11.11 C ATOM 1709 CG1 VAL A 107 9.501 -10.730 -25.941 1.00 22.41 C ATOM 1710 CG2 VAL A 107 7.469 -11.307 -27.287 1.00 1.13 C ATOM 0 H VAL A 107 9.056 -8.248 -25.126 1.00 75.01 H new ATOM 0 HA VAL A 107 6.463 -9.103 -26.146 1.00 61.12 H new ATOM 0 HB VAL A 107 8.592 -9.501 -27.423 1.00 11.11 H new ATOM 0 HG11 VAL A 107 10.111 -11.279 -26.658 1.00 22.41 H new ATOM 0 HG12 VAL A 107 10.081 -9.904 -25.529 1.00 22.41 H new ATOM 0 HG13 VAL A 107 9.198 -11.398 -25.135 1.00 22.41 H new ATOM 0 HG21 VAL A 107 8.107 -11.849 -27.985 1.00 1.13 H new ATOM 0 HG22 VAL A 107 7.111 -11.991 -26.517 1.00 1.13 H new ATOM 0 HG23 VAL A 107 6.618 -10.887 -27.823 1.00 1.13 H new ATOM 1720 N GLY A 108 5.843 -10.869 -24.482 1.00 3.25 N ATOM 1721 CA GLY A 108 5.419 -11.745 -23.406 1.00 34.24 C ATOM 1722 C GLY A 108 6.286 -12.983 -23.291 1.00 63.12 C ATOM 1723 O GLY A 108 7.071 -13.286 -24.189 1.00 74.34 O ATOM 0 H GLY A 108 5.154 -10.736 -25.223 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.446 -11.198 -22.464 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.384 -12.044 -23.571 1.00 34.24 H new ATOM 1727 N PHE A 109 6.146 -13.700 -22.181 1.00 65.53 N ATOM 1728 CA PHE A 109 6.926 -14.911 -21.950 1.00 34.22 C ATOM 1729 C PHE A 109 6.061 -16.005 -21.330 1.00 13.12 C ATOM 1730 O PHE A 109 5.046 -15.722 -20.692 1.00 33.42 O ATOM 1731 CB PHE A 109 8.117 -14.611 -21.040 1.00 43.33 C ATOM 1732 CG PHE A 109 9.355 -14.205 -21.788 1.00 4.44 C ATOM 1733 CD1 PHE A 109 10.109 -15.147 -22.468 1.00 64.54 C ATOM 1734 CD2 PHE A 109 9.765 -12.881 -21.810 1.00 74.21 C ATOM 1735 CE1 PHE A 109 11.249 -14.777 -23.157 1.00 30.44 C ATOM 1736 CE2 PHE A 109 10.904 -12.505 -22.497 1.00 22.11 C ATOM 1737 CZ PHE A 109 11.647 -13.455 -23.172 1.00 13.51 C ATOM 0 H PHE A 109 5.500 -13.464 -21.428 1.00 65.53 H new ATOM 0 HA PHE A 109 7.294 -15.265 -22.913 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.843 -13.815 -20.347 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.338 -15.494 -20.440 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.803 -16.183 -22.460 1.00 64.54 H new ATOM 0 HD2 PHE A 109 9.188 -12.135 -21.284 1.00 74.21 H new ATOM 0 HE1 PHE A 109 11.828 -15.522 -23.683 1.00 30.44 H new ATOM 0 HE2 PHE A 109 11.213 -11.470 -22.506 1.00 22.11 H new ATOM 0 HZ PHE A 109 12.537 -13.164 -23.710 1.00 13.51 H new ATOM 1747 N LYS A 110 6.469 -17.254 -21.522 1.00 53.10 N ATOM 1748 CA LYS A 110 5.734 -18.392 -20.982 1.00 31.01 C ATOM 1749 C LYS A 110 5.485 -18.219 -19.487 1.00 43.41 C ATOM 1750 O LYS A 110 6.153 -17.437 -18.808 1.00 73.41 O ATOM 1751 CB LYS A 110 6.504 -19.690 -21.234 1.00 1.21 C ATOM 1752 CG LYS A 110 6.034 -20.446 -22.465 1.00 30.45 C ATOM 1753 CD LYS A 110 6.390 -21.921 -22.382 1.00 25.15 C ATOM 1754 CE LYS A 110 5.740 -22.715 -23.504 1.00 71.12 C ATOM 1755 NZ LYS A 110 4.306 -23.000 -23.224 1.00 33.33 N ATOM 0 H LYS A 110 7.306 -17.505 -22.048 1.00 53.10 H new ATOM 0 HA LYS A 110 4.771 -18.444 -21.490 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.564 -19.459 -21.342 1.00 1.21 H new ATOM 0 HB3 LYS A 110 6.406 -20.336 -20.362 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.955 -20.336 -22.571 1.00 30.45 H new ATOM 0 HG3 LYS A 110 6.487 -20.011 -23.356 1.00 30.45 H new ATOM 0 HD2 LYS A 110 7.473 -22.038 -22.432 1.00 25.15 H new ATOM 0 HD3 LYS A 110 6.070 -22.320 -21.420 1.00 25.15 H new ATOM 0 HE2 LYS A 110 5.824 -22.159 -24.438 1.00 71.12 H new ATOM 0 HE3 LYS A 110 6.276 -23.654 -23.642 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 3.900 -23.543 -24.013 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 4.227 -23.552 -22.346 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 3.788 -22.104 -23.117 1.00 33.33 H new ATOM 1769 N PRO A 111 4.503 -18.964 -18.959 1.00 3.22 N ATOM 1770 CA PRO A 111 4.145 -18.911 -17.538 1.00 31.43 C ATOM 1771 C PRO A 111 5.222 -19.522 -16.646 1.00 53.03 C ATOM 1772 O PRO A 111 5.634 -18.921 -15.655 1.00 72.25 O ATOM 1773 CB PRO A 111 2.858 -19.738 -17.466 1.00 2.05 C ATOM 1774 CG PRO A 111 2.939 -20.667 -18.627 1.00 62.33 C ATOM 1775 CD PRO A 111 3.666 -19.916 -19.708 1.00 71.40 C ATOM 0 HA PRO A 111 4.030 -17.887 -17.184 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.791 -20.285 -16.525 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.975 -19.102 -17.529 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.472 -21.580 -18.360 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.944 -20.964 -18.959 1.00 62.33 H new ATOM 0 HD2 PRO A 111 4.269 -20.583 -20.324 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.974 -19.403 -20.376 1.00 71.40 H new ATOM 1783 N ALA A 112 5.672 -20.719 -17.006 1.00 62.44 N ATOM 1784 CA ALA A 112 6.702 -21.410 -16.240 1.00 52.52 C ATOM 1785 C ALA A 112 7.979 -20.579 -16.165 1.00 34.24 C ATOM 1786 O ALA A 112 8.644 -20.541 -15.129 1.00 74.33 O ATOM 1787 CB ALA A 112 6.991 -22.772 -16.853 1.00 45.03 C ATOM 0 H ALA A 112 5.340 -21.231 -17.823 1.00 62.44 H new ATOM 0 HA ALA A 112 6.332 -21.553 -15.225 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.762 -23.277 -16.271 1.00 45.03 H new ATOM 0 HB2 ALA A 112 6.082 -23.373 -16.849 1.00 45.03 H new ATOM 0 HB3 ALA A 112 7.337 -22.643 -17.879 1.00 45.03 H new ATOM 1793 N GLN A 113 8.315 -19.917 -17.267 1.00 34.25 N ATOM 1794 CA GLN A 113 9.513 -19.089 -17.323 1.00 42.12 C ATOM 1795 C GLN A 113 9.341 -17.823 -16.489 1.00 63.54 C ATOM 1796 O GLN A 113 10.208 -17.475 -15.687 1.00 30.03 O ATOM 1797 CB GLN A 113 9.834 -18.718 -18.772 1.00 62.35 C ATOM 1798 CG GLN A 113 9.872 -19.913 -19.712 1.00 53.13 C ATOM 1799 CD GLN A 113 10.694 -21.061 -19.163 1.00 30.34 C ATOM 1800 OE1 GLN A 113 11.746 -20.854 -18.558 1.00 1.43 O ATOM 1801 NE2 GLN A 113 10.218 -22.283 -19.371 1.00 31.33 N ATOM 0 H GLN A 113 7.775 -19.938 -18.132 1.00 34.25 H new ATOM 0 HA GLN A 113 10.341 -19.665 -16.909 1.00 42.12 H new ATOM 0 HB2 GLN A 113 9.089 -18.008 -19.130 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.798 -18.211 -18.803 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.854 -20.256 -19.898 1.00 53.13 H new ATOM 0 HG3 GLN A 113 10.284 -19.602 -20.672 1.00 53.13 H new ATOM 0 HE21 GLN A 113 9.342 -22.410 -19.878 1.00 31.33 H new ATOM 0 HE22 GLN A 113 10.729 -23.095 -19.024 1.00 31.33 H new ATOM 1810 N TYR A 114 8.219 -17.141 -16.684 1.00 74.31 N ATOM 1811 CA TYR A 114 7.935 -15.912 -15.951 1.00 32.54 C ATOM 1812 C TYR A 114 8.003 -16.148 -14.445 1.00 30.52 C ATOM 1813 O TYR A 114 8.555 -15.335 -13.704 1.00 21.43 O ATOM 1814 CB TYR A 114 6.554 -15.376 -16.331 1.00 52.21 C ATOM 1815 CG TYR A 114 6.451 -13.868 -16.264 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.362 -13.059 -16.932 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.442 -13.253 -15.533 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.272 -11.682 -16.871 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.343 -11.877 -15.469 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.262 -11.095 -16.139 1.00 74.52 C ATOM 1821 OH TYR A 114 6.167 -9.724 -16.079 1.00 24.42 O ATOM 0 H TYR A 114 7.491 -17.417 -17.343 1.00 74.31 H new ATOM 0 HA TYR A 114 8.692 -15.175 -16.220 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.312 -15.704 -17.342 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.808 -15.813 -15.667 1.00 52.21 H new ATOM 0 HD1 TYR A 114 8.154 -13.514 -17.508 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.723 -13.862 -15.006 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.990 -11.068 -17.394 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.551 -11.415 -14.898 1.00 0.14 H new ATOM 0 HH TYR A 114 5.400 -9.473 -15.523 1.00 24.42 H new ATOM 1831 N GLU A 115 7.440 -17.268 -14.001 1.00 14.02 N ATOM 1832 CA GLU A 115 7.437 -17.610 -12.584 1.00 22.21 C ATOM 1833 C GLU A 115 8.840 -17.980 -12.111 1.00 15.44 C ATOM 1834 O GLU A 115 9.324 -17.459 -11.107 1.00 4.40 O ATOM 1835 CB GLU A 115 6.475 -18.772 -12.320 1.00 5.22 C ATOM 1836 CG GLU A 115 5.071 -18.530 -12.845 1.00 30.50 C ATOM 1837 CD GLU A 115 4.041 -18.439 -11.736 1.00 42.21 C ATOM 1838 OE1 GLU A 115 4.362 -17.859 -10.677 1.00 14.10 O ATOM 1839 OE2 GLU A 115 2.916 -18.945 -11.926 1.00 54.12 O ATOM 0 H GLU A 115 6.981 -17.953 -14.602 1.00 14.02 H new ATOM 0 HA GLU A 115 7.103 -16.736 -12.025 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.875 -19.676 -12.780 1.00 5.22 H new ATOM 0 HB3 GLU A 115 6.426 -18.955 -11.247 1.00 5.22 H new ATOM 0 HG2 GLU A 115 5.058 -17.607 -13.424 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.797 -19.337 -13.525 1.00 30.50 H new ATOM 1846 N ALA A 116 9.487 -18.882 -12.842 1.00 50.22 N ATOM 1847 CA ALA A 116 10.833 -19.320 -12.499 1.00 4.31 C ATOM 1848 C ALA A 116 11.805 -18.144 -12.481 1.00 51.44 C ATOM 1849 O ALA A 116 12.794 -18.153 -11.748 1.00 72.23 O ATOM 1850 CB ALA A 116 11.308 -20.384 -13.476 1.00 54.13 C ATOM 0 H ALA A 116 9.100 -19.323 -13.676 1.00 50.22 H new ATOM 0 HA ALA A 116 10.804 -19.750 -11.498 1.00 4.31 H new ATOM 0 HB1 ALA A 116 12.315 -20.701 -13.207 1.00 54.13 H new ATOM 0 HB2 ALA A 116 10.635 -21.241 -13.437 1.00 54.13 H new ATOM 0 HB3 ALA A 116 11.315 -19.974 -14.486 1.00 54.13 H new ATOM 1856 N TYR A 117 11.519 -17.134 -13.295 1.00 54.32 N ATOM 1857 CA TYR A 117 12.368 -15.952 -13.375 1.00 43.12 C ATOM 1858 C TYR A 117 12.043 -14.969 -12.255 1.00 23.32 C ATOM 1859 O TYR A 117 12.936 -14.336 -11.690 1.00 72.22 O ATOM 1860 CB TYR A 117 12.200 -15.268 -14.734 1.00 24.03 C ATOM 1861 CG TYR A 117 13.315 -14.304 -15.068 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.645 -14.705 -15.019 1.00 53.14 C ATOM 1863 CD2 TYR A 117 13.039 -12.992 -15.435 1.00 22.44 C ATOM 1864 CE1 TYR A 117 15.667 -13.827 -15.325 1.00 11.13 C ATOM 1865 CE2 TYR A 117 14.055 -12.108 -15.742 1.00 40.30 C ATOM 1866 CZ TYR A 117 15.368 -12.530 -15.685 1.00 14.53 C ATOM 1867 OH TYR A 117 16.383 -11.652 -15.990 1.00 31.20 O ATOM 0 H TYR A 117 10.705 -17.110 -13.909 1.00 54.32 H new ATOM 0 HA TYR A 117 13.404 -16.273 -13.262 1.00 43.12 H new ATOM 0 HB2 TYR A 117 12.145 -16.031 -15.511 1.00 24.03 H new ATOM 0 HB3 TYR A 117 11.251 -14.732 -14.747 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.884 -15.720 -14.737 1.00 53.14 H new ATOM 0 HD2 TYR A 117 12.013 -12.658 -15.481 1.00 22.44 H new ATOM 0 HE1 TYR A 117 16.695 -14.155 -15.282 1.00 11.13 H new ATOM 0 HE2 TYR A 117 13.823 -11.092 -16.025 1.00 40.30 H new ATOM 0 HH TYR A 117 16.002 -10.780 -16.224 1.00 31.20 H new ATOM 1877 N PHE A 118 10.759 -14.848 -11.938 1.00 14.14 N ATOM 1878 CA PHE A 118 10.313 -13.943 -10.885 1.00 2.10 C ATOM 1879 C PHE A 118 11.020 -14.250 -9.568 1.00 23.32 C ATOM 1880 O PHE A 118 11.170 -13.378 -8.712 1.00 14.34 O ATOM 1881 CB PHE A 118 8.798 -14.047 -10.700 1.00 24.24 C ATOM 1882 CG PHE A 118 8.160 -12.768 -10.237 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.304 -12.341 -8.927 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.418 -11.994 -11.113 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.718 -11.165 -8.499 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.829 -10.816 -10.691 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.981 -10.401 -9.383 1.00 31.03 C ATOM 0 H PHE A 118 10.008 -15.365 -12.395 1.00 14.14 H new ATOM 0 HA PHE A 118 10.566 -12.926 -11.184 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.345 -14.348 -11.644 1.00 24.24 H new ATOM 0 HB3 PHE A 118 8.582 -14.834 -9.977 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.881 -12.934 -8.232 1.00 41.02 H new ATOM 0 HD2 PHE A 118 7.298 -12.314 -12.138 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.836 -10.844 -7.475 1.00 73.25 H new ATOM 0 HE2 PHE A 118 6.251 -10.222 -11.383 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.524 -9.480 -9.051 1.00 31.03 H new ATOM 1897 N LYS A 119 11.454 -15.497 -9.413 1.00 45.31 N ATOM 1898 CA LYS A 119 12.147 -15.921 -8.202 1.00 73.12 C ATOM 1899 C LYS A 119 13.659 -15.875 -8.395 1.00 53.44 C ATOM 1900 O LYS A 119 14.160 -16.077 -9.503 1.00 11.14 O ATOM 1901 CB LYS A 119 11.714 -17.337 -7.813 1.00 41.45 C ATOM 1902 CG LYS A 119 12.041 -17.699 -6.375 1.00 3.34 C ATOM 1903 CD LYS A 119 11.969 -19.200 -6.147 1.00 40.53 C ATOM 1904 CE LYS A 119 13.140 -19.919 -6.799 1.00 22.25 C ATOM 1905 NZ LYS A 119 13.187 -21.359 -6.419 1.00 11.40 N ATOM 0 H LYS A 119 11.338 -16.231 -10.111 1.00 45.31 H new ATOM 0 HA LYS A 119 11.881 -15.232 -7.400 1.00 73.12 H new ATOM 0 HB2 LYS A 119 10.640 -17.435 -7.968 1.00 41.45 H new ATOM 0 HB3 LYS A 119 12.199 -18.052 -8.478 1.00 41.45 H new ATOM 0 HG2 LYS A 119 13.040 -17.340 -6.127 1.00 3.34 H new ATOM 0 HG3 LYS A 119 11.345 -17.195 -5.705 1.00 3.34 H new ATOM 0 HD2 LYS A 119 11.964 -19.407 -5.077 1.00 40.53 H new ATOM 0 HD3 LYS A 119 11.033 -19.586 -6.551 1.00 40.53 H new ATOM 0 HE2 LYS A 119 13.062 -19.832 -7.883 1.00 22.25 H new ATOM 0 HE3 LYS A 119 14.072 -19.435 -6.506 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 13.999 -21.814 -6.883 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 13.287 -21.443 -5.387 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 12.308 -21.827 -6.721 1.00 11.40 H new ATOM 1919 N LEU A 120 14.381 -15.610 -7.313 1.00 51.43 N ATOM 1920 CA LEU A 120 15.837 -15.538 -7.363 1.00 62.11 C ATOM 1921 C LEU A 120 16.448 -16.934 -7.440 1.00 51.03 C ATOM 1922 O LEU A 120 17.658 -17.085 -7.608 1.00 22.42 O ATOM 1923 CB LEU A 120 16.375 -14.801 -6.135 1.00 40.12 C ATOM 1924 CG LEU A 120 16.588 -13.295 -6.297 1.00 62.42 C ATOM 1925 CD1 LEU A 120 16.822 -12.642 -4.944 1.00 62.14 C ATOM 1926 CD2 LEU A 120 17.755 -13.019 -7.235 1.00 30.24 C ATOM 0 H LEU A 120 13.982 -15.441 -6.389 1.00 51.43 H new ATOM 0 HA LEU A 120 16.118 -14.987 -8.261 1.00 62.11 H new ATOM 0 HB2 LEU A 120 15.685 -14.963 -5.307 1.00 40.12 H new ATOM 0 HB3 LEU A 120 17.325 -15.254 -5.851 1.00 40.12 H new ATOM 0 HG LEU A 120 15.688 -12.864 -6.735 1.00 62.42 H new ATOM 0 HD11 LEU A 120 16.972 -11.571 -5.078 1.00 62.14 H new ATOM 0 HD12 LEU A 120 15.956 -12.810 -4.304 1.00 62.14 H new ATOM 0 HD13 LEU A 120 17.707 -13.076 -4.478 1.00 62.14 H new ATOM 0 HD21 LEU A 120 17.892 -11.943 -7.338 1.00 30.24 H new ATOM 0 HD22 LEU A 120 18.663 -13.463 -6.826 1.00 30.24 H new ATOM 0 HD23 LEU A 120 17.547 -13.454 -8.213 1.00 30.24 H new TER 1938 LEU A 120