USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 41 GLN : amide:sc= -3.37 K(o=-6.5,f=-2.3) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.13 K(o=-6.5,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.3!) USER MOD Single : A 15 SER OG : rot 140:sc=-0.00876 USER MOD Single : A 16 HIS : no HD1:sc= -0.0465 X(o=-0.047,f=-0.13) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0305) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -140:sc= -0.0631 USER MOD Single : A 62 THR OG1 : rot 175:sc= 0.151 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 150:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 74 CYS SG : rot 120:sc= -0.193 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0.0402 (180deg=0.0401) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -108:sc= -0.125 (180deg=-1.84!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 67:sc= 0.562 USER MOD Single : A 91 SER OG : rot 180:sc= -3.55! USER MOD Single : A 95 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 97 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.15) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -40:sc= 0.342 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0994 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 125.212 27.334 -8.433 1.00 0.00 N ATOM 2 CA GLY A 1 126.127 26.226 -8.041 1.00 0.00 C ATOM 3 C GLY A 1 126.734 25.523 -9.238 1.00 0.00 C ATOM 4 O GLY A 1 126.538 24.322 -9.426 1.00 0.00 O ATOM 0 H1 GLY A 1 124.823 27.782 -7.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 125.739 28.040 -8.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 124.434 26.954 -9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 126.925 26.623 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 125.578 25.502 -7.438 1.00 0.00 H new ATOM 10 N SER A 2 127.472 26.272 -10.049 1.00 0.00 N ATOM 11 CA SER A 2 128.110 25.713 -11.236 1.00 0.00 C ATOM 12 C SER A 2 129.203 24.723 -10.851 1.00 0.00 C ATOM 13 O SER A 2 129.120 23.536 -11.169 1.00 0.00 O ATOM 14 CB SER A 2 128.700 26.831 -12.098 1.00 0.00 C ATOM 15 OG SER A 2 127.762 27.284 -13.059 1.00 0.00 O ATOM 0 H SER A 2 127.644 27.267 -9.907 1.00 0.00 H new ATOM 0 HA SER A 2 127.350 25.183 -11.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 129.004 27.662 -11.462 1.00 0.00 H new ATOM 0 HB3 SER A 2 129.597 26.471 -12.602 1.00 0.00 H new ATOM 0 HG SER A 2 128.163 27.999 -13.596 1.00 0.00 H new ATOM 21 N SER A 3 130.228 25.217 -10.164 1.00 0.00 N ATOM 22 CA SER A 3 131.338 24.374 -9.734 1.00 0.00 C ATOM 23 C SER A 3 130.855 23.274 -8.795 1.00 0.00 C ATOM 24 O SER A 3 130.082 23.528 -7.871 1.00 0.00 O ATOM 25 CB SER A 3 132.408 25.220 -9.040 1.00 0.00 C ATOM 26 OG SER A 3 132.727 26.369 -9.806 1.00 0.00 O ATOM 0 H SER A 3 130.313 26.197 -9.893 1.00 0.00 H new ATOM 0 HA SER A 3 131.770 23.906 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 3 132.054 25.523 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 133.306 24.621 -8.886 1.00 0.00 H new ATOM 0 HG SER A 3 133.411 26.893 -9.340 1.00 0.00 H new ATOM 32 N GLY A 4 131.315 22.051 -9.038 1.00 0.00 N ATOM 33 CA GLY A 4 130.919 20.931 -8.206 1.00 0.00 C ATOM 34 C GLY A 4 130.532 19.711 -9.020 1.00 0.00 C ATOM 35 O GLY A 4 129.678 19.791 -9.902 1.00 0.00 O ATOM 0 H GLY A 4 131.955 21.816 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 4 131.739 20.672 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 130.078 21.228 -7.579 1.00 0.00 H new ATOM 39 N SER A 5 131.165 18.580 -8.724 1.00 0.00 N ATOM 40 CA SER A 5 130.883 17.339 -9.436 1.00 0.00 C ATOM 41 C SER A 5 129.775 16.553 -8.741 1.00 0.00 C ATOM 42 O SER A 5 129.529 16.730 -7.548 1.00 0.00 O ATOM 43 CB SER A 5 132.147 16.483 -9.532 1.00 0.00 C ATOM 44 OG SER A 5 132.417 15.830 -8.304 1.00 0.00 O ATOM 0 H SER A 5 131.876 18.498 -7.997 1.00 0.00 H new ATOM 0 HA SER A 5 130.548 17.594 -10.441 1.00 0.00 H new ATOM 0 HB2 SER A 5 132.029 15.742 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 132.995 17.111 -9.807 1.00 0.00 H new ATOM 0 HG SER A 5 133.229 15.288 -8.393 1.00 0.00 H new ATOM 50 N SER A 6 129.109 15.685 -9.496 1.00 0.00 N ATOM 51 CA SER A 6 128.028 14.872 -8.952 1.00 0.00 C ATOM 52 C SER A 6 128.579 13.712 -8.129 1.00 0.00 C ATOM 53 O SER A 6 129.231 12.814 -8.662 1.00 0.00 O ATOM 54 CB SER A 6 127.146 14.337 -10.081 1.00 0.00 C ATOM 55 OG SER A 6 126.755 15.378 -10.960 1.00 0.00 O ATOM 0 H SER A 6 129.299 15.527 -10.486 1.00 0.00 H new ATOM 0 HA SER A 6 127.427 15.504 -8.298 1.00 0.00 H new ATOM 0 HB2 SER A 6 127.687 13.571 -10.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 126.261 13.860 -9.660 1.00 0.00 H new ATOM 0 HG SER A 6 126.193 15.010 -11.674 1.00 0.00 H new ATOM 61 N GLY A 7 128.313 13.737 -6.827 1.00 0.00 N ATOM 62 CA GLY A 7 128.790 12.683 -5.952 1.00 0.00 C ATOM 63 C GLY A 7 127.664 11.816 -5.421 1.00 0.00 C ATOM 64 O GLY A 7 127.124 12.079 -4.346 1.00 0.00 O ATOM 0 H GLY A 7 127.775 14.469 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 7 129.500 12.059 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 129.329 13.126 -5.115 1.00 0.00 H new ATOM 68 N LEU A 8 127.309 10.783 -6.177 1.00 0.00 N ATOM 69 CA LEU A 8 126.240 9.875 -5.777 1.00 0.00 C ATOM 70 C LEU A 8 126.566 9.201 -4.447 1.00 0.00 C ATOM 71 O LEU A 8 125.679 8.948 -3.633 1.00 0.00 O ATOM 72 CB LEU A 8 126.012 8.815 -6.857 1.00 0.00 C ATOM 73 CG LEU A 8 125.799 9.364 -8.267 1.00 0.00 C ATOM 74 CD1 LEU A 8 126.357 8.401 -9.305 1.00 0.00 C ATOM 75 CD2 LEU A 8 124.323 9.626 -8.520 1.00 0.00 C ATOM 0 H LEU A 8 127.746 10.553 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 8 125.329 10.460 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 8 126.870 8.142 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 8 125.143 8.218 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 8 126.335 10.309 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 126.196 8.809 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 8 127.425 8.264 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 8 125.850 7.440 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 8 124.191 10.017 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 8 123.765 8.696 -8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 8 123.954 10.354 -7.798 1.00 0.00 H new ATOM 87 N ALA A 9 127.846 8.913 -4.236 1.00 0.00 N ATOM 88 CA ALA A 9 128.291 8.269 -3.007 1.00 0.00 C ATOM 89 C ALA A 9 129.810 8.310 -2.884 1.00 0.00 C ATOM 90 O ALA A 9 130.425 7.393 -2.339 1.00 0.00 O ATOM 91 CB ALA A 9 127.794 6.833 -2.955 1.00 0.00 C ATOM 0 H ALA A 9 128.593 9.116 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 9 127.870 8.819 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 9 128.134 6.364 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 9 126.705 6.824 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 9 128.187 6.281 -3.809 1.00 0.00 H new ATOM 97 N MET A 10 130.412 9.381 -3.394 1.00 0.00 N ATOM 98 CA MET A 10 131.861 9.542 -3.341 1.00 0.00 C ATOM 99 C MET A 10 132.281 10.879 -3.949 1.00 0.00 C ATOM 100 O MET A 10 132.849 10.924 -5.041 1.00 0.00 O ATOM 101 CB MET A 10 132.550 8.392 -4.080 1.00 0.00 C ATOM 102 CG MET A 10 131.913 8.058 -5.419 1.00 0.00 C ATOM 103 SD MET A 10 132.616 6.579 -6.173 1.00 0.00 S ATOM 104 CE MET A 10 132.892 7.152 -7.847 1.00 0.00 C ATOM 0 H MET A 10 129.919 10.150 -3.848 1.00 0.00 H new ATOM 0 HA MET A 10 132.167 9.526 -2.295 1.00 0.00 H new ATOM 0 HB2 MET A 10 133.597 8.650 -4.240 1.00 0.00 H new ATOM 0 HB3 MET A 10 132.533 7.504 -3.448 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.841 7.917 -5.282 1.00 0.00 H new ATOM 0 HG3 MET A 10 132.039 8.902 -6.097 1.00 0.00 H new ATOM 0 HE1 MET A 10 133.326 6.347 -8.440 1.00 0.00 H new ATOM 0 HE2 MET A 10 131.943 7.457 -8.288 1.00 0.00 H new ATOM 0 HE3 MET A 10 133.575 8.001 -7.833 1.00 0.00 H new ATOM 114 N PRO A 11 132.008 11.991 -3.245 1.00 0.00 N ATOM 115 CA PRO A 11 132.361 13.332 -3.719 1.00 0.00 C ATOM 116 C PRO A 11 133.857 13.483 -3.993 1.00 0.00 C ATOM 117 O PRO A 11 134.251 14.000 -5.038 1.00 0.00 O ATOM 118 CB PRO A 11 131.929 14.253 -2.573 1.00 0.00 C ATOM 119 CG PRO A 11 130.928 13.466 -1.798 1.00 0.00 C ATOM 120 CD PRO A 11 131.334 12.027 -1.935 1.00 0.00 C ATOM 0 HA PRO A 11 131.876 13.561 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 11 132.779 14.532 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 11 131.495 15.178 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 11 130.919 13.770 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 11 129.922 13.626 -2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 11 132.001 11.718 -1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 11 130.472 11.361 -1.907 1.00 0.00 H new ATOM 128 N PRO A 12 134.718 13.035 -3.058 1.00 0.00 N ATOM 129 CA PRO A 12 136.168 13.131 -3.217 1.00 0.00 C ATOM 130 C PRO A 12 136.731 12.015 -4.090 1.00 0.00 C ATOM 131 O PRO A 12 137.651 12.234 -4.879 1.00 0.00 O ATOM 132 CB PRO A 12 136.677 12.999 -1.785 1.00 0.00 C ATOM 133 CG PRO A 12 135.676 12.124 -1.112 1.00 0.00 C ATOM 134 CD PRO A 12 134.349 12.402 -1.774 1.00 0.00 C ATOM 0 HA PRO A 12 136.470 14.054 -3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 12 137.673 12.557 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 12 136.746 13.971 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 12 135.948 11.073 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 12 135.629 12.338 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 12 133.780 11.485 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 12 133.730 13.062 -1.166 1.00 0.00 H new ATOM 142 N GLY A 13 136.173 10.818 -3.944 1.00 0.00 N ATOM 143 CA GLY A 13 136.632 9.684 -4.726 1.00 0.00 C ATOM 144 C GLY A 13 136.975 8.487 -3.862 1.00 0.00 C ATOM 145 O GLY A 13 137.982 7.818 -4.091 1.00 0.00 O ATOM 0 H GLY A 13 135.411 10.612 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 13 135.859 9.403 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 13 137.510 9.975 -5.303 1.00 0.00 H new ATOM 149 N ASN A 14 136.136 8.216 -2.867 1.00 0.00 N ATOM 150 CA ASN A 14 136.356 7.092 -1.966 1.00 0.00 C ATOM 151 C ASN A 14 135.123 6.196 -1.901 1.00 0.00 C ATOM 152 O ASN A 14 133.991 6.673 -1.989 1.00 0.00 O ATOM 153 CB ASN A 14 136.708 7.595 -0.565 1.00 0.00 C ATOM 154 CG ASN A 14 138.013 8.366 -0.540 1.00 0.00 C ATOM 155 OD1 ASN A 14 138.027 9.590 -0.676 1.00 0.00 O ATOM 156 ND2 ASN A 14 139.119 7.653 -0.365 1.00 0.00 N ATOM 0 H ASN A 14 135.297 8.760 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 14 137.189 6.506 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 14 135.904 8.234 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 14 136.777 6.747 0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 14 140.027 8.118 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 14 139.061 6.640 -0.256 1.00 0.00 H new ATOM 163 N SER A 15 135.349 4.896 -1.747 1.00 0.00 N ATOM 164 CA SER A 15 134.257 3.933 -1.670 1.00 0.00 C ATOM 165 C SER A 15 133.351 4.234 -0.480 1.00 0.00 C ATOM 166 O SER A 15 132.125 4.183 -0.592 1.00 0.00 O ATOM 167 CB SER A 15 134.808 2.511 -1.559 1.00 0.00 C ATOM 168 OG SER A 15 133.762 1.569 -1.395 1.00 0.00 O ATOM 0 H SER A 15 136.279 4.485 -1.673 1.00 0.00 H new ATOM 0 HA SER A 15 133.668 4.015 -2.584 1.00 0.00 H new ATOM 0 HB2 SER A 15 135.382 2.269 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 15 135.494 2.448 -0.714 1.00 0.00 H new ATOM 0 HG SER A 15 133.957 0.768 -1.924 1.00 0.00 H new ATOM 174 N HIS A 16 133.961 4.548 0.657 1.00 0.00 N ATOM 175 CA HIS A 16 133.209 4.857 1.868 1.00 0.00 C ATOM 176 C HIS A 16 134.054 5.675 2.839 1.00 0.00 C ATOM 177 O HIS A 16 133.627 6.726 3.317 1.00 0.00 O ATOM 178 CB HIS A 16 132.738 3.568 2.544 1.00 0.00 C ATOM 179 CG HIS A 16 131.347 3.167 2.163 1.00 0.00 C ATOM 180 ND1 HIS A 16 130.235 3.926 2.465 1.00 0.00 N ATOM 181 CD2 HIS A 16 130.889 2.079 1.500 1.00 0.00 C ATOM 182 CE1 HIS A 16 129.154 3.321 2.004 1.00 0.00 C ATOM 183 NE2 HIS A 16 129.523 2.200 1.414 1.00 0.00 N ATOM 0 H HIS A 16 134.974 4.595 0.766 1.00 0.00 H new ATOM 0 HA HIS A 16 132.339 5.449 1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 16 133.424 2.761 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 16 132.787 3.695 3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.486 1.267 1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 16 128.141 3.683 2.095 1.00 0.00 H new ATOM 0 HE2 HIS A 16 128.896 1.532 0.967 1.00 0.00 H new ATOM 192 N GLY A 17 135.256 5.187 3.127 1.00 0.00 N ATOM 193 CA GLY A 17 136.143 5.884 4.039 1.00 0.00 C ATOM 194 C GLY A 17 137.538 5.294 4.059 1.00 0.00 C ATOM 195 O GLY A 17 138.056 4.942 5.119 1.00 0.00 O ATOM 0 H GLY A 17 135.632 4.320 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.201 6.934 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.724 5.850 5.045 1.00 0.00 H new ATOM 199 N LEU A 18 138.149 5.184 2.883 1.00 0.00 N ATOM 200 CA LEU A 18 139.492 4.631 2.770 1.00 0.00 C ATOM 201 C LEU A 18 140.541 5.657 3.188 1.00 0.00 C ATOM 202 O LEU A 18 140.936 6.512 2.396 1.00 0.00 O ATOM 203 CB LEU A 18 139.758 4.170 1.335 1.00 0.00 C ATOM 204 CG LEU A 18 138.859 3.033 0.845 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.767 3.043 -0.673 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.378 1.691 1.341 1.00 0.00 C ATOM 0 H LEU A 18 137.735 5.471 1.996 1.00 0.00 H new ATOM 0 HA LEU A 18 139.561 3.773 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.637 5.023 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.797 3.850 1.259 1.00 0.00 H new ATOM 0 HG LEU A 18 137.859 3.185 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.124 2.228 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.349 3.993 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.762 2.915 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.726 0.894 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.388 1.530 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.392 1.686 2.431 1.00 0.00 H new ATOM 218 N GLU A 19 140.986 5.564 4.436 1.00 0.00 N ATOM 219 CA GLU A 19 141.989 6.485 4.959 1.00 0.00 C ATOM 220 C GLU A 19 143.037 5.739 5.779 1.00 0.00 C ATOM 221 O GLU A 19 142.979 4.517 5.913 1.00 0.00 O ATOM 222 CB GLU A 19 141.325 7.562 5.819 1.00 0.00 C ATOM 223 CG GLU A 19 140.463 7.001 6.937 1.00 0.00 C ATOM 224 CD GLU A 19 139.402 7.979 7.402 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.541 8.356 6.581 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.434 8.369 8.589 1.00 0.00 O ATOM 0 H GLU A 19 140.669 4.861 5.104 1.00 0.00 H new ATOM 0 HA GLU A 19 142.485 6.960 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.098 8.198 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.710 8.197 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.982 6.085 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 19 141.099 6.732 7.781 1.00 0.00 H new ATOM 233 N VAL A 20 143.994 6.483 6.324 1.00 0.00 N ATOM 234 CA VAL A 20 145.055 5.891 7.131 1.00 0.00 C ATOM 235 C VAL A 20 144.481 5.136 8.326 1.00 0.00 C ATOM 236 O VAL A 20 143.631 5.653 9.050 1.00 0.00 O ATOM 237 CB VAL A 20 146.037 6.964 7.639 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.209 6.320 8.365 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.525 7.828 6.485 1.00 0.00 C ATOM 0 H VAL A 20 144.057 7.496 6.222 1.00 0.00 H new ATOM 0 HA VAL A 20 145.591 5.193 6.488 1.00 0.00 H new ATOM 0 HB VAL A 20 145.511 7.604 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.890 7.095 8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.840 5.749 9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.738 5.654 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.218 8.581 6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.033 7.202 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.674 8.321 6.014 1.00 0.00 H new ATOM 249 N GLY A 21 144.950 3.908 8.525 1.00 0.00 N ATOM 250 CA GLY A 21 144.472 3.102 9.631 1.00 0.00 C ATOM 251 C GLY A 21 143.364 2.152 9.221 1.00 0.00 C ATOM 252 O GLY A 21 143.223 1.069 9.789 1.00 0.00 O ATOM 0 H GLY A 21 145.653 3.458 7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.302 2.530 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 21 144.110 3.757 10.424 1.00 0.00 H new ATOM 256 N SER A 22 142.573 2.559 8.232 1.00 0.00 N ATOM 257 CA SER A 22 141.471 1.736 7.747 1.00 0.00 C ATOM 258 C SER A 22 141.972 0.673 6.775 1.00 0.00 C ATOM 259 O SER A 22 142.811 0.948 5.916 1.00 0.00 O ATOM 260 CB SER A 22 140.417 2.611 7.066 1.00 0.00 C ATOM 261 OG SER A 22 139.648 3.320 8.022 1.00 0.00 O ATOM 0 H SER A 22 142.675 3.453 7.752 1.00 0.00 H new ATOM 0 HA SER A 22 141.020 1.235 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.905 3.315 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.762 1.989 6.457 1.00 0.00 H new ATOM 0 HG SER A 22 138.983 3.873 7.562 1.00 0.00 H new ATOM 267 N LEU A 23 141.454 -0.542 6.915 1.00 0.00 N ATOM 268 CA LEU A 23 141.848 -1.647 6.049 1.00 0.00 C ATOM 269 C LEU A 23 141.271 -1.474 4.649 1.00 0.00 C ATOM 270 O LEU A 23 140.212 -0.873 4.474 1.00 0.00 O ATOM 271 CB LEU A 23 141.386 -2.979 6.644 1.00 0.00 C ATOM 272 CG LEU A 23 142.034 -3.354 7.977 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.095 -4.216 8.805 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.354 -4.074 7.743 1.00 0.00 C ATOM 0 H LEU A 23 140.760 -0.787 7.621 1.00 0.00 H new ATOM 0 HA LEU A 23 142.936 -1.648 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.305 -2.943 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.590 -3.771 5.923 1.00 0.00 H new ATOM 0 HG LEU A 23 142.235 -2.437 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.574 -4.472 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.175 -3.666 9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.861 -5.129 8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.802 -4.334 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.176 -4.983 7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.031 -3.422 7.191 1.00 0.00 H new ATOM 286 N ALA A 24 141.975 -2.007 3.654 1.00 0.00 N ATOM 287 CA ALA A 24 141.532 -1.911 2.269 1.00 0.00 C ATOM 288 C ALA A 24 142.129 -3.030 1.423 1.00 0.00 C ATOM 289 O ALA A 24 142.995 -3.774 1.883 1.00 0.00 O ATOM 290 CB ALA A 24 141.902 -0.554 1.689 1.00 0.00 C ATOM 0 H ALA A 24 142.854 -2.509 3.782 1.00 0.00 H new ATOM 0 HA ALA A 24 140.447 -2.017 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.565 -0.497 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.423 0.233 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 24 142.984 -0.425 1.726 1.00 0.00 H new ATOM 296 N GLU A 25 141.660 -3.144 0.185 1.00 0.00 N ATOM 297 CA GLU A 25 142.147 -4.174 -0.726 1.00 0.00 C ATOM 298 C GLU A 25 142.482 -3.580 -2.090 1.00 0.00 C ATOM 299 O GLU A 25 141.969 -2.524 -2.461 1.00 0.00 O ATOM 300 CB GLU A 25 141.105 -5.282 -0.880 1.00 0.00 C ATOM 301 CG GLU A 25 141.622 -6.505 -1.622 1.00 0.00 C ATOM 302 CD GLU A 25 140.539 -7.537 -1.869 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.448 -7.152 -2.336 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.785 -8.732 -1.597 1.00 0.00 O ATOM 0 H GLU A 25 140.943 -2.536 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 25 143.057 -4.598 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.761 -5.586 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.240 -4.884 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.047 -6.194 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.429 -6.960 -1.047 1.00 0.00 H new ATOM 311 N VAL A 26 143.346 -4.266 -2.833 1.00 0.00 N ATOM 312 CA VAL A 26 143.749 -3.806 -4.157 1.00 0.00 C ATOM 313 C VAL A 26 143.397 -4.834 -5.227 1.00 0.00 C ATOM 314 O VAL A 26 143.403 -6.038 -4.971 1.00 0.00 O ATOM 315 CB VAL A 26 145.261 -3.520 -4.216 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.630 -2.857 -5.534 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.688 -2.657 -3.038 1.00 0.00 C ATOM 0 H VAL A 26 143.780 -5.142 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 26 143.203 -2.882 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 26 145.793 -4.469 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.702 -2.663 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.363 -3.516 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.089 -1.916 -5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.759 -2.465 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.148 -1.711 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.463 -3.176 -2.106 1.00 0.00 H new ATOM 327 N LYS A 27 143.090 -4.350 -6.425 1.00 0.00 N ATOM 328 CA LYS A 27 142.735 -5.226 -7.536 1.00 0.00 C ATOM 329 C LYS A 27 143.971 -5.609 -8.343 1.00 0.00 C ATOM 330 O LYS A 27 144.276 -4.991 -9.362 1.00 0.00 O ATOM 331 CB LYS A 27 141.708 -4.544 -8.443 1.00 0.00 C ATOM 332 CG LYS A 27 140.274 -4.963 -8.160 1.00 0.00 C ATOM 333 CD LYS A 27 139.289 -4.199 -9.032 1.00 0.00 C ATOM 334 CE LYS A 27 138.175 -5.101 -9.536 1.00 0.00 C ATOM 335 NZ LYS A 27 138.653 -6.038 -10.591 1.00 0.00 N ATOM 0 H LYS A 27 143.080 -3.356 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 27 142.297 -6.135 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.792 -3.464 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.946 -4.771 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.165 -6.033 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.043 -4.788 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.861 -3.374 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.816 -3.761 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 137.765 -5.671 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 27 137.365 -4.490 -9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 137.837 -6.503 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 139.187 -5.509 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 139.269 -6.758 -10.163 1.00 0.00 H new ATOM 349 N GLU A 28 144.679 -6.635 -7.880 1.00 0.00 N ATOM 350 CA GLU A 28 145.883 -7.101 -8.559 1.00 0.00 C ATOM 351 C GLU A 28 145.850 -8.615 -8.743 1.00 0.00 C ATOM 352 O GLU A 28 144.881 -9.276 -8.371 1.00 0.00 O ATOM 353 CB GLU A 28 147.129 -6.694 -7.770 1.00 0.00 C ATOM 354 CG GLU A 28 148.209 -6.054 -8.627 1.00 0.00 C ATOM 355 CD GLU A 28 147.852 -4.643 -9.054 1.00 0.00 C ATOM 356 OE1 GLU A 28 147.598 -3.801 -8.168 1.00 0.00 O ATOM 357 OE2 GLU A 28 147.828 -4.382 -10.276 1.00 0.00 O ATOM 0 H GLU A 28 144.440 -7.159 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 28 145.920 -6.635 -9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.840 -5.996 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.541 -7.575 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 28 149.146 -6.036 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.376 -6.667 -9.513 1.00 0.00 H new ATOM 364 N ASN A 29 146.918 -9.159 -9.319 1.00 0.00 N ATOM 365 CA ASN A 29 147.013 -10.595 -9.551 1.00 0.00 C ATOM 366 C ASN A 29 147.022 -11.360 -8.230 1.00 0.00 C ATOM 367 O ASN A 29 146.158 -12.203 -7.987 1.00 0.00 O ATOM 368 CB ASN A 29 148.275 -10.920 -10.354 1.00 0.00 C ATOM 369 CG ASN A 29 147.996 -11.056 -11.838 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.912 -12.164 -12.367 1.00 0.00 O ATOM 371 ND2 ASN A 29 147.853 -9.925 -12.519 1.00 0.00 N ATOM 0 H ASN A 29 147.729 -8.626 -9.633 1.00 0.00 H new ATOM 0 HA ASN A 29 146.138 -10.906 -10.122 1.00 0.00 H new ATOM 0 HB2 ASN A 29 149.015 -10.135 -10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.710 -11.848 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 29 147.666 -9.953 -13.521 1.00 0.00 H new ATOM 0 HD22 ASN A 29 147.931 -9.028 -12.040 1.00 0.00 H new ATOM 378 N PRO A 30 148.002 -11.075 -7.356 1.00 0.00 N ATOM 379 CA PRO A 30 148.120 -11.741 -6.056 1.00 0.00 C ATOM 380 C PRO A 30 147.114 -11.205 -5.038 1.00 0.00 C ATOM 381 O PRO A 30 147.237 -10.072 -4.573 1.00 0.00 O ATOM 382 CB PRO A 30 149.546 -11.404 -5.625 1.00 0.00 C ATOM 383 CG PRO A 30 149.829 -10.088 -6.263 1.00 0.00 C ATOM 384 CD PRO A 30 149.076 -10.083 -7.567 1.00 0.00 C ATOM 0 HA PRO A 30 147.917 -12.810 -6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.629 -11.345 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.251 -12.166 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.505 -9.267 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.898 -9.958 -6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.671 -9.096 -7.792 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.719 -10.361 -8.402 1.00 0.00 H new ATOM 392 N PRO A 31 146.100 -12.014 -4.676 1.00 0.00 N ATOM 393 CA PRO A 31 145.077 -11.606 -3.707 1.00 0.00 C ATOM 394 C PRO A 31 145.637 -11.476 -2.293 1.00 0.00 C ATOM 395 O PRO A 31 145.647 -12.440 -1.529 1.00 0.00 O ATOM 396 CB PRO A 31 144.050 -12.738 -3.773 1.00 0.00 C ATOM 397 CG PRO A 31 144.818 -13.920 -4.250 1.00 0.00 C ATOM 398 CD PRO A 31 145.872 -13.382 -5.177 1.00 0.00 C ATOM 0 HA PRO A 31 144.664 -10.625 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.603 -12.924 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.235 -12.494 -4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.269 -14.455 -3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.167 -14.626 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.782 -13.980 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.533 -13.379 -6.213 1.00 0.00 H new ATOM 406 N PHE A 32 146.101 -10.278 -1.955 1.00 0.00 N ATOM 407 CA PHE A 32 146.662 -10.020 -0.634 1.00 0.00 C ATOM 408 C PHE A 32 145.773 -9.069 0.160 1.00 0.00 C ATOM 409 O PHE A 32 144.803 -8.524 -0.368 1.00 0.00 O ATOM 410 CB PHE A 32 148.070 -9.434 -0.760 1.00 0.00 C ATOM 411 CG PHE A 32 148.162 -8.301 -1.742 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.511 -7.102 -1.499 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.899 -8.435 -2.907 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.593 -6.057 -2.400 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.985 -7.394 -3.813 1.00 0.00 C ATOM 416 CZ PHE A 32 148.331 -6.203 -3.558 1.00 0.00 C ATOM 0 H PHE A 32 146.100 -9.470 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 32 146.716 -10.968 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.398 -9.084 0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.758 -10.224 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.933 -6.983 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.412 -9.363 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.081 -5.128 -2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.562 -7.511 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.397 -5.388 -4.263 1.00 0.00 H new ATOM 426 N TYR A 33 146.109 -8.875 1.431 1.00 0.00 N ATOM 427 CA TYR A 33 145.340 -7.989 2.298 1.00 0.00 C ATOM 428 C TYR A 33 146.263 -7.088 3.112 1.00 0.00 C ATOM 429 O TYR A 33 147.282 -7.538 3.635 1.00 0.00 O ATOM 430 CB TYR A 33 144.448 -8.807 3.236 1.00 0.00 C ATOM 431 CG TYR A 33 143.132 -9.218 2.616 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.336 -8.293 1.954 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.687 -10.531 2.692 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.131 -8.664 1.386 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.485 -10.911 2.126 1.00 0.00 C ATOM 436 CZ TYR A 33 140.711 -9.974 1.474 1.00 0.00 C ATOM 437 OH TYR A 33 139.514 -10.348 0.910 1.00 0.00 O ATOM 0 H TYR A 33 146.908 -9.319 1.884 1.00 0.00 H new ATOM 0 HA TYR A 33 144.712 -7.360 1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.988 -9.701 3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.250 -8.224 4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.663 -7.266 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.290 -11.268 3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.522 -7.932 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.153 -11.937 2.194 1.00 0.00 H new ATOM 0 HH TYR A 33 139.367 -11.305 1.060 1.00 0.00 H new ATOM 447 N GLY A 34 145.899 -5.814 3.214 1.00 0.00 N ATOM 448 CA GLY A 34 146.705 -4.871 3.966 1.00 0.00 C ATOM 449 C GLY A 34 145.905 -3.675 4.442 1.00 0.00 C ATOM 450 O GLY A 34 144.740 -3.513 4.077 1.00 0.00 O ATOM 0 H GLY A 34 145.060 -5.418 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.143 -5.377 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.531 -4.527 3.344 1.00 0.00 H new ATOM 454 N VAL A 35 146.531 -2.835 5.261 1.00 0.00 N ATOM 455 CA VAL A 35 145.870 -1.647 5.789 1.00 0.00 C ATOM 456 C VAL A 35 146.552 -0.375 5.292 1.00 0.00 C ATOM 457 O VAL A 35 147.766 -0.345 5.095 1.00 0.00 O ATOM 458 CB VAL A 35 145.861 -1.649 7.330 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.281 -1.641 7.878 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.069 -0.464 7.864 1.00 0.00 C ATOM 0 H VAL A 35 147.495 -2.955 5.573 1.00 0.00 H new ATOM 0 HA VAL A 35 144.841 -1.667 5.430 1.00 0.00 H new ATOM 0 HB VAL A 35 145.373 -2.564 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.251 -1.643 8.968 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.811 -2.527 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.800 -0.748 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.075 -0.484 8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.523 0.464 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.041 -0.522 7.506 1.00 0.00 H new ATOM 470 N ILE A 36 145.761 0.675 5.093 1.00 0.00 N ATOM 471 CA ILE A 36 146.289 1.949 4.620 1.00 0.00 C ATOM 472 C ILE A 36 147.261 2.548 5.632 1.00 0.00 C ATOM 473 O ILE A 36 147.108 2.361 6.840 1.00 0.00 O ATOM 474 CB ILE A 36 145.160 2.962 4.345 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.100 2.342 3.431 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.726 4.232 3.724 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.962 3.283 3.101 1.00 0.00 C ATOM 0 H ILE A 36 144.753 0.668 5.252 1.00 0.00 H new ATOM 0 HA ILE A 36 146.816 1.746 3.688 1.00 0.00 H new ATOM 0 HB ILE A 36 144.688 3.223 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.575 2.020 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.696 1.450 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.916 4.937 3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.447 4.681 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.221 3.988 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.249 2.777 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.462 3.586 4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.354 4.165 2.594 1.00 0.00 H new ATOM 489 N ARG A 37 148.260 3.266 5.132 1.00 0.00 N ATOM 490 CA ARG A 37 149.257 3.890 5.993 1.00 0.00 C ATOM 491 C ARG A 37 149.449 5.360 5.629 1.00 0.00 C ATOM 492 O ARG A 37 149.125 6.251 6.413 1.00 0.00 O ATOM 493 CB ARG A 37 150.590 3.149 5.885 1.00 0.00 C ATOM 494 CG ARG A 37 150.463 1.645 6.063 1.00 0.00 C ATOM 495 CD ARG A 37 150.492 1.254 7.532 1.00 0.00 C ATOM 496 NE ARG A 37 149.280 1.671 8.234 1.00 0.00 N ATOM 497 CZ ARG A 37 149.190 1.779 9.558 1.00 0.00 C ATOM 498 NH1 ARG A 37 150.236 1.502 10.326 1.00 0.00 N ATOM 499 NH2 ARG A 37 148.049 2.166 10.114 1.00 0.00 N ATOM 0 H ARG A 37 148.401 3.430 4.135 1.00 0.00 H new ATOM 0 HA ARG A 37 148.899 3.833 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.034 3.356 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.276 3.539 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.532 1.301 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.276 1.145 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.607 0.173 7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 37 151.361 1.705 8.010 1.00 0.00 H new ATOM 0 HE ARG A 37 148.455 1.892 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 37 151.115 1.205 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 37 150.161 1.587 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 37 147.243 2.380 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.978 2.249 11.128 1.00 0.00 H new ATOM 513 N TRP A 38 149.977 5.605 4.434 1.00 0.00 N ATOM 514 CA TRP A 38 150.210 6.967 3.968 1.00 0.00 C ATOM 515 C TRP A 38 149.461 7.233 2.665 1.00 0.00 C ATOM 516 O TRP A 38 149.556 6.459 1.712 1.00 0.00 O ATOM 517 CB TRP A 38 151.709 7.216 3.772 1.00 0.00 C ATOM 518 CG TRP A 38 152.013 8.486 3.032 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.250 9.716 3.576 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.100 8.650 1.612 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.480 10.635 2.580 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.395 10.004 1.365 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.959 7.782 0.525 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.550 10.509 0.076 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.114 8.285 -0.753 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.406 9.637 -0.968 1.00 0.00 C ATOM 0 H TRP A 38 150.251 4.879 3.772 1.00 0.00 H new ATOM 0 HA TRP A 38 149.834 7.652 4.728 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.195 7.248 4.747 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.141 6.376 3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.256 9.935 4.634 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.681 11.625 2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.733 6.737 0.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.776 11.552 -0.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.008 7.624 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.520 9.999 -1.979 1.00 0.00 H new ATOM 537 N ILE A 39 148.726 8.338 2.631 1.00 0.00 N ATOM 538 CA ILE A 39 147.967 8.719 1.446 1.00 0.00 C ATOM 539 C ILE A 39 148.411 10.088 0.940 1.00 0.00 C ATOM 540 O ILE A 39 148.093 11.113 1.541 1.00 0.00 O ATOM 541 CB ILE A 39 146.454 8.753 1.731 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.012 7.460 2.417 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.675 8.969 0.442 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.676 7.574 3.117 1.00 0.00 C ATOM 0 H ILE A 39 148.639 8.988 3.413 1.00 0.00 H new ATOM 0 HA ILE A 39 148.163 7.965 0.683 1.00 0.00 H new ATOM 0 HB ILE A 39 146.246 9.587 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.957 6.664 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.770 7.166 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.607 8.990 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.972 9.916 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.887 8.155 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.426 6.620 3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.732 8.347 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.906 7.837 2.391 1.00 0.00 H new ATOM 556 N GLY A 40 149.152 10.097 -0.164 1.00 0.00 N ATOM 557 CA GLY A 40 149.630 11.349 -0.720 1.00 0.00 C ATOM 558 C GLY A 40 150.140 11.202 -2.140 1.00 0.00 C ATOM 559 O GLY A 40 149.996 10.144 -2.755 1.00 0.00 O ATOM 0 H GLY A 40 149.429 9.263 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.823 12.081 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.429 11.740 -0.090 1.00 0.00 H new ATOM 563 N GLN A 41 150.738 12.268 -2.659 1.00 0.00 N ATOM 564 CA GLN A 41 151.275 12.266 -4.014 1.00 0.00 C ATOM 565 C GLN A 41 152.744 12.682 -4.013 1.00 0.00 C ATOM 566 O GLN A 41 153.073 13.816 -3.661 1.00 0.00 O ATOM 567 CB GLN A 41 150.463 13.213 -4.899 1.00 0.00 C ATOM 568 CG GLN A 41 148.960 13.014 -4.785 1.00 0.00 C ATOM 569 CD GLN A 41 148.199 14.324 -4.770 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.192 15.042 -3.770 1.00 0.00 O ATOM 571 NE2 GLN A 41 147.550 14.643 -5.884 1.00 0.00 N ATOM 0 H GLN A 41 150.863 13.148 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 41 151.204 11.254 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.706 14.242 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.762 13.072 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.613 12.406 -5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.739 12.459 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 41 147.583 14.019 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.019 15.512 -5.934 1.00 0.00 H new ATOM 580 N PRO A 42 153.655 11.772 -4.405 1.00 0.00 N ATOM 581 CA PRO A 42 155.092 12.061 -4.440 1.00 0.00 C ATOM 582 C PRO A 42 155.420 13.259 -5.326 1.00 0.00 C ATOM 583 O PRO A 42 154.629 13.637 -6.191 1.00 0.00 O ATOM 584 CB PRO A 42 155.706 10.783 -5.022 1.00 0.00 C ATOM 585 CG PRO A 42 154.698 9.719 -4.754 1.00 0.00 C ATOM 586 CD PRO A 42 153.361 10.395 -4.841 1.00 0.00 C ATOM 0 HA PRO A 42 155.476 12.320 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 42 155.897 10.887 -6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.660 10.552 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.777 8.912 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.849 9.275 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 152.961 10.370 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.624 9.916 -4.196 1.00 0.00 H new ATOM 594 N PRO A 43 156.595 13.876 -5.121 1.00 0.00 N ATOM 595 CA PRO A 43 157.024 15.037 -5.905 1.00 0.00 C ATOM 596 C PRO A 43 157.402 14.663 -7.333 1.00 0.00 C ATOM 597 O PRO A 43 158.567 14.392 -7.627 1.00 0.00 O ATOM 598 CB PRO A 43 158.249 15.545 -5.146 1.00 0.00 C ATOM 599 CG PRO A 43 158.788 14.344 -4.449 1.00 0.00 C ATOM 600 CD PRO A 43 157.597 13.489 -4.110 1.00 0.00 C ATOM 0 HA PRO A 43 156.230 15.777 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 43 158.986 15.973 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 43 157.979 16.327 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.487 13.804 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.333 14.628 -3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.836 12.427 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.241 13.681 -3.098 1.00 0.00 H new ATOM 608 N GLY A 44 156.412 14.650 -8.219 1.00 0.00 N ATOM 609 CA GLY A 44 156.666 14.309 -9.605 1.00 0.00 C ATOM 610 C GLY A 44 155.424 13.817 -10.320 1.00 0.00 C ATOM 611 O GLY A 44 155.089 14.302 -11.401 1.00 0.00 O ATOM 0 H GLY A 44 155.440 14.869 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.058 15.183 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.436 13.539 -9.651 1.00 0.00 H new ATOM 615 N LEU A 45 154.738 12.852 -9.716 1.00 0.00 N ATOM 616 CA LEU A 45 153.525 12.298 -10.306 1.00 0.00 C ATOM 617 C LEU A 45 152.337 12.469 -9.368 1.00 0.00 C ATOM 618 O LEU A 45 152.290 11.867 -8.297 1.00 0.00 O ATOM 619 CB LEU A 45 153.722 10.815 -10.630 1.00 0.00 C ATOM 620 CG LEU A 45 154.338 9.984 -9.503 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.029 8.505 -9.697 1.00 0.00 C ATOM 622 CD2 LEU A 45 155.842 10.216 -9.432 1.00 0.00 C ATOM 0 H LEU A 45 155.000 12.439 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 45 153.319 12.841 -11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.756 10.384 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.358 10.732 -11.511 1.00 0.00 H new ATOM 0 HG LEU A 45 153.897 10.302 -8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.476 7.930 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 45 152.949 8.356 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.441 8.169 -10.649 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.265 9.617 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.300 9.926 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.039 11.271 -9.243 1.00 0.00 H new ATOM 634 N ASN A 46 151.375 13.292 -9.776 1.00 0.00 N ATOM 635 CA ASN A 46 150.192 13.528 -8.962 1.00 0.00 C ATOM 636 C ASN A 46 149.268 12.316 -9.000 1.00 0.00 C ATOM 637 O ASN A 46 148.624 12.044 -10.013 1.00 0.00 O ATOM 638 CB ASN A 46 149.446 14.769 -9.454 1.00 0.00 C ATOM 639 CG ASN A 46 148.709 15.484 -8.339 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.479 15.539 -8.328 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.460 16.036 -7.393 1.00 0.00 N ATOM 0 H ASN A 46 151.393 13.802 -10.659 1.00 0.00 H new ATOM 0 HA ASN A 46 150.511 13.693 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.155 15.456 -9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 148.735 14.479 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 46 149.020 16.530 -6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.476 15.966 -7.443 1.00 0.00 H new ATOM 648 N GLU A 47 149.212 11.591 -7.889 1.00 0.00 N ATOM 649 CA GLU A 47 148.370 10.404 -7.789 1.00 0.00 C ATOM 650 C GLU A 47 148.235 9.958 -6.339 1.00 0.00 C ATOM 651 O GLU A 47 149.230 9.655 -5.679 1.00 0.00 O ATOM 652 CB GLU A 47 148.948 9.266 -8.634 1.00 0.00 C ATOM 653 CG GLU A 47 150.467 9.182 -8.595 1.00 0.00 C ATOM 654 CD GLU A 47 151.033 8.332 -9.715 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.096 8.825 -10.861 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.415 7.173 -9.446 1.00 0.00 O ATOM 0 H GLU A 47 149.741 11.804 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 47 147.380 10.658 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.532 8.320 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.627 9.394 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 47 150.884 10.187 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.780 8.768 -7.636 1.00 0.00 H new ATOM 663 N VAL A 48 147.003 9.912 -5.846 1.00 0.00 N ATOM 664 CA VAL A 48 146.751 9.495 -4.473 1.00 0.00 C ATOM 665 C VAL A 48 147.166 8.044 -4.268 1.00 0.00 C ATOM 666 O VAL A 48 146.436 7.121 -4.633 1.00 0.00 O ATOM 667 CB VAL A 48 145.266 9.655 -4.096 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.057 9.375 -2.616 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.768 11.047 -4.457 1.00 0.00 C ATOM 0 H VAL A 48 146.166 10.157 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 48 147.346 10.141 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 48 144.687 8.928 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.002 9.493 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.371 8.356 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.648 10.075 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.717 11.140 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.351 11.793 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 48 144.879 11.206 -5.530 1.00 0.00 H new ATOM 679 N LEU A 49 148.343 7.846 -3.684 1.00 0.00 N ATOM 680 CA LEU A 49 148.856 6.506 -3.434 1.00 0.00 C ATOM 681 C LEU A 49 148.772 6.164 -1.953 1.00 0.00 C ATOM 682 O LEU A 49 149.439 6.784 -1.124 1.00 0.00 O ATOM 683 CB LEU A 49 150.304 6.392 -3.915 1.00 0.00 C ATOM 684 CG LEU A 49 150.503 6.575 -5.421 1.00 0.00 C ATOM 685 CD1 LEU A 49 151.948 6.937 -5.729 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.097 5.313 -6.168 1.00 0.00 C ATOM 0 H LEU A 49 148.959 8.598 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 49 148.241 5.798 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.904 7.136 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.690 5.413 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 49 149.866 7.394 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.070 7.063 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.206 7.867 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.605 6.140 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.245 5.460 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.708 4.477 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.047 5.097 -5.973 1.00 0.00 H new ATOM 698 N ALA A 50 147.948 5.176 -1.625 1.00 0.00 N ATOM 699 CA ALA A 50 147.780 4.758 -0.242 1.00 0.00 C ATOM 700 C ALA A 50 148.746 3.631 0.112 1.00 0.00 C ATOM 701 O ALA A 50 148.657 2.531 -0.433 1.00 0.00 O ATOM 702 CB ALA A 50 146.342 4.325 0.007 1.00 0.00 C ATOM 0 H ALA A 50 147.388 4.652 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 50 148.007 5.609 0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.230 4.015 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.670 5.159 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.094 3.491 -0.650 1.00 0.00 H new ATOM 708 N GLY A 51 149.668 3.914 1.025 1.00 0.00 N ATOM 709 CA GLY A 51 150.637 2.915 1.434 1.00 0.00 C ATOM 710 C GLY A 51 150.011 1.789 2.232 1.00 0.00 C ATOM 711 O GLY A 51 149.679 1.961 3.406 1.00 0.00 O ATOM 0 H GLY A 51 149.762 4.817 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.123 2.502 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.414 3.391 2.032 1.00 0.00 H new ATOM 715 N LEU A 52 149.848 0.634 1.596 1.00 0.00 N ATOM 716 CA LEU A 52 149.257 -0.524 2.256 1.00 0.00 C ATOM 717 C LEU A 52 150.331 -1.381 2.919 1.00 0.00 C ATOM 718 O LEU A 52 151.450 -1.488 2.418 1.00 0.00 O ATOM 719 CB LEU A 52 148.468 -1.365 1.248 1.00 0.00 C ATOM 720 CG LEU A 52 147.201 -0.702 0.703 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.592 -1.549 -0.403 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.196 -0.478 1.823 1.00 0.00 C ATOM 0 H LEU A 52 150.117 0.475 0.625 1.00 0.00 H new ATOM 0 HA LEU A 52 148.578 -0.162 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 52 149.122 -1.608 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.192 -2.307 1.721 1.00 0.00 H new ATOM 0 HG LEU A 52 147.469 0.268 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.692 -1.063 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.311 -1.659 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.336 -2.532 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.300 -0.006 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.931 -1.436 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.636 0.168 2.583 1.00 0.00 H new ATOM 734 N GLU A 53 149.982 -1.988 4.049 1.00 0.00 N ATOM 735 CA GLU A 53 150.916 -2.836 4.781 1.00 0.00 C ATOM 736 C GLU A 53 150.448 -4.287 4.782 1.00 0.00 C ATOM 737 O GLU A 53 149.515 -4.649 5.499 1.00 0.00 O ATOM 738 CB GLU A 53 151.069 -2.336 6.219 1.00 0.00 C ATOM 739 CG GLU A 53 152.057 -3.146 7.042 1.00 0.00 C ATOM 740 CD GLU A 53 151.571 -3.395 8.457 1.00 0.00 C ATOM 741 OE1 GLU A 53 151.482 -2.420 9.234 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.282 -4.563 8.789 1.00 0.00 O ATOM 0 H GLU A 53 149.060 -1.908 4.477 1.00 0.00 H new ATOM 0 HA GLU A 53 151.883 -2.786 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.392 -1.295 6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.095 -2.360 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.236 -4.102 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.012 -2.621 7.077 1.00 0.00 H new ATOM 749 N LEU A 54 151.103 -5.114 3.974 1.00 0.00 N ATOM 750 CA LEU A 54 150.754 -6.527 3.881 1.00 0.00 C ATOM 751 C LEU A 54 151.046 -7.247 5.194 1.00 0.00 C ATOM 752 O LEU A 54 152.057 -6.982 5.846 1.00 0.00 O ATOM 753 CB LEU A 54 151.524 -7.191 2.739 1.00 0.00 C ATOM 754 CG LEU A 54 151.324 -6.552 1.364 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.297 -7.140 0.354 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.889 -6.740 0.895 1.00 0.00 C ATOM 0 H LEU A 54 151.878 -4.830 3.374 1.00 0.00 H new ATOM 0 HA LEU A 54 149.685 -6.599 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.587 -7.173 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.228 -8.238 2.682 1.00 0.00 H new ATOM 0 HG LEU A 54 151.523 -5.484 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.139 -6.673 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.319 -6.955 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.131 -8.214 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.763 -6.280 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.665 -7.805 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.209 -6.271 1.606 1.00 0.00 H new ATOM 768 N GLU A 55 150.156 -8.157 5.576 1.00 0.00 N ATOM 769 CA GLU A 55 150.320 -8.914 6.811 1.00 0.00 C ATOM 770 C GLU A 55 151.395 -9.986 6.655 1.00 0.00 C ATOM 771 O GLU A 55 152.090 -10.325 7.612 1.00 0.00 O ATOM 772 CB GLU A 55 148.994 -9.562 7.217 1.00 0.00 C ATOM 773 CG GLU A 55 147.871 -8.562 7.436 1.00 0.00 C ATOM 774 CD GLU A 55 147.824 -8.042 8.859 1.00 0.00 C ATOM 775 OE1 GLU A 55 148.691 -7.217 9.219 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.921 -8.458 9.615 1.00 0.00 O ATOM 0 H GLU A 55 149.314 -8.388 5.048 1.00 0.00 H new ATOM 0 HA GLU A 55 150.633 -8.221 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.694 -10.270 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.144 -10.134 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.997 -7.724 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.918 -9.032 7.193 1.00 0.00 H new ATOM 783 N ASP A 56 151.525 -10.513 5.442 1.00 0.00 N ATOM 784 CA ASP A 56 152.516 -11.547 5.161 1.00 0.00 C ATOM 785 C ASP A 56 153.811 -10.931 4.642 1.00 0.00 C ATOM 786 O ASP A 56 153.807 -10.183 3.665 1.00 0.00 O ATOM 787 CB ASP A 56 151.967 -12.544 4.140 1.00 0.00 C ATOM 788 CG ASP A 56 152.412 -13.965 4.423 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.800 -14.618 5.295 1.00 0.00 O ATOM 790 OD2 ASP A 56 153.373 -14.428 3.773 1.00 0.00 O ATOM 0 H ASP A 56 150.958 -10.242 4.639 1.00 0.00 H new ATOM 0 HA ASP A 56 152.732 -12.072 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.878 -12.500 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.295 -12.255 3.142 1.00 0.00 H new ATOM 795 N GLU A 57 154.919 -11.252 5.303 1.00 0.00 N ATOM 796 CA GLU A 57 156.222 -10.731 4.908 1.00 0.00 C ATOM 797 C GLU A 57 156.628 -11.260 3.536 1.00 0.00 C ATOM 798 O GLU A 57 157.106 -12.388 3.411 1.00 0.00 O ATOM 799 CB GLU A 57 157.282 -11.108 5.946 1.00 0.00 C ATOM 800 CG GLU A 57 157.377 -10.126 7.102 1.00 0.00 C ATOM 801 CD GLU A 57 158.593 -10.371 7.975 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.766 -11.514 8.445 1.00 0.00 O ATOM 803 OE2 GLU A 57 159.372 -9.418 8.188 1.00 0.00 O ATOM 0 H GLU A 57 154.940 -11.870 6.114 1.00 0.00 H new ATOM 0 HA GLU A 57 156.148 -9.645 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.057 -12.099 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.253 -11.173 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.415 -9.110 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.476 -10.199 7.711 1.00 0.00 H new ATOM 810 N CYS A 58 156.432 -10.439 2.510 1.00 0.00 N ATOM 811 CA CYS A 58 156.777 -10.825 1.146 1.00 0.00 C ATOM 812 C CYS A 58 158.157 -10.301 0.765 1.00 0.00 C ATOM 813 O CYS A 58 158.426 -9.103 0.859 1.00 0.00 O ATOM 814 CB CYS A 58 155.730 -10.297 0.164 1.00 0.00 C ATOM 815 SG CYS A 58 155.833 -11.026 -1.487 1.00 0.00 S ATOM 0 H CYS A 58 156.036 -9.503 2.596 1.00 0.00 H new ATOM 0 HA CYS A 58 156.795 -11.914 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.737 -10.486 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.839 -9.216 0.080 1.00 0.00 H new ATOM 0 HG CYS A 58 154.906 -10.518 -2.244 1.00 0.00 H new ATOM 821 N ALA A 59 159.031 -11.207 0.335 1.00 0.00 N ATOM 822 CA ALA A 59 160.383 -10.836 -0.060 1.00 0.00 C ATOM 823 C ALA A 59 160.374 -10.001 -1.337 1.00 0.00 C ATOM 824 O ALA A 59 160.036 -10.496 -2.411 1.00 0.00 O ATOM 825 CB ALA A 59 161.238 -12.081 -0.249 1.00 0.00 C ATOM 0 H ALA A 59 158.825 -12.203 0.252 1.00 0.00 H new ATOM 0 HA ALA A 59 160.813 -10.229 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 59 162.246 -11.789 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.281 -12.638 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.800 -12.709 -1.025 1.00 0.00 H new ATOM 831 N GLY A 60 160.746 -8.732 -1.209 1.00 0.00 N ATOM 832 CA GLY A 60 160.773 -7.848 -2.360 1.00 0.00 C ATOM 833 C GLY A 60 160.174 -6.487 -2.062 1.00 0.00 C ATOM 834 O GLY A 60 160.550 -5.488 -2.673 1.00 0.00 O ATOM 0 H GLY A 60 161.029 -8.300 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.803 -7.723 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.226 -8.310 -3.182 1.00 0.00 H new ATOM 838 N CYS A 61 159.239 -6.449 -1.118 1.00 0.00 N ATOM 839 CA CYS A 61 158.586 -5.201 -0.739 1.00 0.00 C ATOM 840 C CYS A 61 159.505 -4.349 0.132 1.00 0.00 C ATOM 841 O CYS A 61 160.621 -4.755 0.456 1.00 0.00 O ATOM 842 CB CYS A 61 157.281 -5.490 0.005 1.00 0.00 C ATOM 843 SG CYS A 61 156.114 -6.515 -0.920 1.00 0.00 S ATOM 0 H CYS A 61 158.917 -7.268 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 61 158.361 -4.646 -1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.515 -5.985 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.800 -4.544 0.253 1.00 0.00 H new ATOM 0 HG CYS A 61 154.906 -6.070 -0.737 1.00 0.00 H new ATOM 849 N THR A 62 159.026 -3.168 0.508 1.00 0.00 N ATOM 850 CA THR A 62 159.805 -2.260 1.342 1.00 0.00 C ATOM 851 C THR A 62 159.217 -2.171 2.746 1.00 0.00 C ATOM 852 O THR A 62 158.231 -2.839 3.059 1.00 0.00 O ATOM 853 CB THR A 62 159.854 -0.868 0.708 1.00 0.00 C ATOM 854 OG1 THR A 62 158.550 -0.421 0.380 1.00 0.00 O ATOM 855 CG2 THR A 62 160.689 -0.814 -0.553 1.00 0.00 C ATOM 0 H THR A 62 158.104 -2.818 0.249 1.00 0.00 H new ATOM 0 HA THR A 62 160.818 -2.654 1.417 1.00 0.00 H new ATOM 0 HB THR A 62 160.315 -0.225 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.593 0.502 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.682 0.201 -0.951 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.714 -1.106 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.274 -1.497 -1.294 1.00 0.00 H new ATOM 863 N ASP A 63 159.827 -1.342 3.587 1.00 0.00 N ATOM 864 CA ASP A 63 159.363 -1.166 4.958 1.00 0.00 C ATOM 865 C ASP A 63 158.671 0.182 5.130 1.00 0.00 C ATOM 866 O ASP A 63 158.779 0.818 6.178 1.00 0.00 O ATOM 867 CB ASP A 63 160.536 -1.278 5.934 1.00 0.00 C ATOM 868 CG ASP A 63 161.601 -0.229 5.680 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.345 0.958 5.968 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.691 -0.596 5.192 1.00 0.00 O ATOM 0 H ASP A 63 160.644 -0.782 3.343 1.00 0.00 H new ATOM 0 HA ASP A 63 158.642 -1.954 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.167 -1.177 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 63 160.980 -2.270 5.852 1.00 0.00 H new ATOM 875 N GLY A 64 157.960 0.612 4.093 1.00 0.00 N ATOM 876 CA GLY A 64 157.260 1.882 4.148 1.00 0.00 C ATOM 877 C GLY A 64 158.013 2.990 3.440 1.00 0.00 C ATOM 878 O GLY A 64 158.125 4.102 3.956 1.00 0.00 O ATOM 0 H GLY A 64 157.856 0.103 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.275 1.770 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.103 2.162 5.190 1.00 0.00 H new ATOM 882 N THR A 65 158.529 2.687 2.253 1.00 0.00 N ATOM 883 CA THR A 65 159.276 3.667 1.472 1.00 0.00 C ATOM 884 C THR A 65 158.845 3.638 0.009 1.00 0.00 C ATOM 885 O THR A 65 158.797 2.578 -0.614 1.00 0.00 O ATOM 886 CB THR A 65 160.778 3.398 1.578 1.00 0.00 C ATOM 887 OG1 THR A 65 161.034 2.006 1.641 1.00 0.00 O ATOM 888 CG2 THR A 65 161.415 4.039 2.791 1.00 0.00 C ATOM 0 H THR A 65 158.444 1.772 1.811 1.00 0.00 H new ATOM 0 HA THR A 65 159.062 4.656 1.877 1.00 0.00 H new ATOM 0 HB THR A 65 161.216 3.839 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.000 1.854 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.480 3.810 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.277 5.119 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.947 3.651 3.696 1.00 0.00 H new ATOM 896 N PHE A 66 158.530 4.811 -0.533 1.00 0.00 N ATOM 897 CA PHE A 66 158.103 4.921 -1.923 1.00 0.00 C ATOM 898 C PHE A 66 159.010 5.872 -2.697 1.00 0.00 C ATOM 899 O PHE A 66 159.157 7.039 -2.334 1.00 0.00 O ATOM 900 CB PHE A 66 156.655 5.406 -1.996 1.00 0.00 C ATOM 901 CG PHE A 66 155.978 5.083 -3.298 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.722 3.769 -3.654 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.598 6.094 -4.166 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.100 3.468 -4.851 1.00 0.00 C ATOM 905 CE2 PHE A 66 154.976 5.801 -5.364 1.00 0.00 C ATOM 906 CZ PHE A 66 154.726 4.486 -5.707 1.00 0.00 C ATOM 0 H PHE A 66 158.563 5.698 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 66 158.171 3.933 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.089 4.957 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.634 6.485 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.012 2.970 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.790 7.124 -3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 66 154.907 2.439 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.685 6.599 -6.032 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.239 4.254 -6.643 1.00 0.00 H new ATOM 916 N ARG A 67 159.615 5.366 -3.767 1.00 0.00 N ATOM 917 CA ARG A 67 160.508 6.172 -4.592 1.00 0.00 C ATOM 918 C ARG A 67 161.689 6.684 -3.776 1.00 0.00 C ATOM 919 O ARG A 67 162.217 7.765 -4.039 1.00 0.00 O ATOM 920 CB ARG A 67 159.746 7.348 -5.204 1.00 0.00 C ATOM 921 CG ARG A 67 158.677 6.930 -6.200 1.00 0.00 C ATOM 922 CD ARG A 67 158.317 8.067 -7.143 1.00 0.00 C ATOM 923 NE ARG A 67 159.015 7.958 -8.422 1.00 0.00 N ATOM 924 CZ ARG A 67 159.160 8.970 -9.274 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.658 10.165 -8.989 1.00 0.00 N ATOM 926 NH2 ARG A 67 159.808 8.786 -10.417 1.00 0.00 N ATOM 0 H ARG A 67 159.503 4.403 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 67 160.892 5.540 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.280 7.923 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.455 8.010 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.031 6.076 -6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 67 157.786 6.605 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.241 8.068 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.565 9.019 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 67 159.414 7.054 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 67 158.157 10.312 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.773 10.936 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 67 160.195 7.869 -10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 67 159.920 9.561 -11.071 1.00 0.00 H new ATOM 940 N GLY A 68 162.100 5.902 -2.783 1.00 0.00 N ATOM 941 CA GLY A 68 163.216 6.295 -1.942 1.00 0.00 C ATOM 942 C GLY A 68 162.847 7.392 -0.963 1.00 0.00 C ATOM 943 O GLY A 68 163.696 8.189 -0.564 1.00 0.00 O ATOM 0 H GLY A 68 161.680 5.003 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.575 5.426 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.039 6.635 -2.571 1.00 0.00 H new ATOM 947 N THR A 69 161.577 7.433 -0.576 1.00 0.00 N ATOM 948 CA THR A 69 161.096 8.441 0.363 1.00 0.00 C ATOM 949 C THR A 69 160.235 7.806 1.449 1.00 0.00 C ATOM 950 O THR A 69 159.141 7.310 1.178 1.00 0.00 O ATOM 951 CB THR A 69 160.297 9.515 -0.375 1.00 0.00 C ATOM 952 OG1 THR A 69 160.987 9.948 -1.533 1.00 0.00 O ATOM 953 CG2 THR A 69 160.010 10.737 0.472 1.00 0.00 C ATOM 0 H THR A 69 160.862 6.781 -0.897 1.00 0.00 H new ATOM 0 HA THR A 69 161.962 8.904 0.836 1.00 0.00 H new ATOM 0 HB THR A 69 159.350 9.042 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.458 10.634 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 159.440 11.459 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.433 10.444 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.950 11.188 0.790 1.00 0.00 H new ATOM 961 N ARG A 70 160.735 7.825 2.680 1.00 0.00 N ATOM 962 CA ARG A 70 160.011 7.251 3.809 1.00 0.00 C ATOM 963 C ARG A 70 158.731 8.032 4.087 1.00 0.00 C ATOM 964 O ARG A 70 158.765 9.242 4.308 1.00 0.00 O ATOM 965 CB ARG A 70 160.897 7.239 5.057 1.00 0.00 C ATOM 966 CG ARG A 70 160.228 6.616 6.272 1.00 0.00 C ATOM 967 CD ARG A 70 160.684 7.279 7.561 1.00 0.00 C ATOM 968 NE ARG A 70 162.045 6.890 7.924 1.00 0.00 N ATOM 969 CZ ARG A 70 162.802 7.562 8.789 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.336 8.654 9.381 1.00 0.00 N ATOM 971 NH2 ARG A 70 164.028 7.139 9.064 1.00 0.00 N ATOM 0 H ARG A 70 161.639 8.232 2.922 1.00 0.00 H new ATOM 0 HA ARG A 70 159.742 6.226 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.813 6.692 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.187 8.262 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.146 6.706 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.457 5.551 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.634 8.362 7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 70 160.002 7.010 8.368 1.00 0.00 H new ATOM 0 HE ARG A 70 162.438 6.055 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.393 8.983 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.921 9.164 10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.391 6.299 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.608 7.653 9.727 1.00 0.00 H new ATOM 985 N TYR A 71 157.602 7.330 4.076 1.00 0.00 N ATOM 986 CA TYR A 71 156.310 7.957 4.327 1.00 0.00 C ATOM 987 C TYR A 71 155.770 7.560 5.696 1.00 0.00 C ATOM 988 O TYR A 71 155.270 8.400 6.446 1.00 0.00 O ATOM 989 CB TYR A 71 155.309 7.566 3.238 1.00 0.00 C ATOM 990 CG TYR A 71 155.424 8.400 1.981 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.529 9.784 2.050 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.426 7.802 0.727 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.635 10.548 0.905 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.532 8.561 -0.424 1.00 0.00 C ATOM 995 CZ TYR A 71 155.635 9.933 -0.330 1.00 0.00 C ATOM 996 OH TYR A 71 155.740 10.691 -1.473 1.00 0.00 O ATOM 0 H TYR A 71 157.556 6.327 3.896 1.00 0.00 H new ATOM 0 HA TYR A 71 156.450 9.038 4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.455 6.517 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.298 7.660 3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.528 10.270 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.344 6.728 0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.718 11.623 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.534 8.082 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 71 156.191 10.171 -2.170 1.00 0.00 H new ATOM 1006 N PHE A 72 155.873 6.274 6.017 1.00 0.00 N ATOM 1007 CA PHE A 72 155.395 5.765 7.298 1.00 0.00 C ATOM 1008 C PHE A 72 156.315 4.669 7.825 1.00 0.00 C ATOM 1009 O PHE A 72 157.106 4.095 7.077 1.00 0.00 O ATOM 1010 CB PHE A 72 153.969 5.226 7.156 1.00 0.00 C ATOM 1011 CG PHE A 72 153.833 4.157 6.110 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.609 4.491 4.785 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.929 2.818 6.453 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.483 3.510 3.820 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.804 1.832 5.493 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.581 2.178 4.174 1.00 0.00 C ATOM 0 H PHE A 72 156.283 5.566 5.408 1.00 0.00 H new ATOM 0 HA PHE A 72 155.395 6.589 8.012 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.643 4.827 8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.300 6.051 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.532 5.531 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.104 2.542 7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.308 3.784 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.881 0.792 5.773 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.484 1.409 3.422 1.00 0.00 H new ATOM 1026 N THR A 73 156.207 4.384 9.119 1.00 0.00 N ATOM 1027 CA THR A 73 157.029 3.357 9.747 1.00 0.00 C ATOM 1028 C THR A 73 156.250 2.054 9.899 1.00 0.00 C ATOM 1029 O THR A 73 155.248 1.997 10.611 1.00 0.00 O ATOM 1030 CB THR A 73 157.520 3.832 11.114 1.00 0.00 C ATOM 1031 OG1 THR A 73 156.507 4.562 11.785 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.746 4.716 11.036 1.00 0.00 C ATOM 0 H THR A 73 155.558 4.850 9.753 1.00 0.00 H new ATOM 0 HA THR A 73 157.889 3.173 9.104 1.00 0.00 H new ATOM 0 HB THR A 73 157.780 2.924 11.658 1.00 0.00 H new ATOM 0 HG1 THR A 73 156.840 4.856 12.659 1.00 0.00 H new ATOM 0 HG21 THR A 73 159.042 5.018 12.041 1.00 0.00 H new ATOM 0 HG22 THR A 73 159.562 4.166 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 73 158.519 5.602 10.443 1.00 0.00 H new ATOM 1040 N CYS A 74 156.717 1.009 9.222 1.00 0.00 N ATOM 1041 CA CYS A 74 156.065 -0.294 9.281 1.00 0.00 C ATOM 1042 C CYS A 74 157.095 -1.417 9.320 1.00 0.00 C ATOM 1043 O CYS A 74 158.301 -1.169 9.289 1.00 0.00 O ATOM 1044 CB CYS A 74 155.136 -0.478 8.080 1.00 0.00 C ATOM 1045 SG CYS A 74 153.445 0.096 8.360 1.00 0.00 S ATOM 0 H CYS A 74 157.544 1.040 8.626 1.00 0.00 H new ATOM 0 HA CYS A 74 155.475 -0.336 10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.553 0.057 7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.110 -1.534 7.813 1.00 0.00 H new ATOM 0 HG CYS A 74 153.159 1.036 7.509 1.00 0.00 H new ATOM 1051 N ALA A 75 156.613 -2.654 9.386 1.00 0.00 N ATOM 1052 CA ALA A 75 157.492 -3.816 9.428 1.00 0.00 C ATOM 1053 C ALA A 75 158.208 -4.011 8.096 1.00 0.00 C ATOM 1054 O ALA A 75 157.739 -3.552 7.055 1.00 0.00 O ATOM 1055 CB ALA A 75 156.700 -5.062 9.791 1.00 0.00 C ATOM 0 H ALA A 75 155.618 -2.877 9.412 1.00 0.00 H new ATOM 0 HA ALA A 75 158.248 -3.643 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.368 -5.923 9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.240 -4.928 10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.923 -5.230 9.045 1.00 0.00 H new ATOM 1061 N LEU A 76 159.347 -4.695 8.137 1.00 0.00 N ATOM 1062 CA LEU A 76 160.129 -4.952 6.933 1.00 0.00 C ATOM 1063 C LEU A 76 159.419 -5.953 6.027 1.00 0.00 C ATOM 1064 O LEU A 76 158.846 -6.934 6.499 1.00 0.00 O ATOM 1065 CB LEU A 76 161.518 -5.476 7.303 1.00 0.00 C ATOM 1066 CG LEU A 76 162.487 -4.420 7.837 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.413 -5.024 8.882 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.291 -3.812 6.698 1.00 0.00 C ATOM 0 H LEU A 76 159.749 -5.081 8.991 1.00 0.00 H new ATOM 0 HA LEU A 76 160.236 -4.012 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.406 -6.258 8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.961 -5.941 6.422 1.00 0.00 H new ATOM 0 HG LEU A 76 161.907 -3.628 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.095 -4.258 9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.822 -5.412 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.987 -5.835 8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.976 -3.063 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.861 -4.594 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.614 -3.343 5.985 1.00 0.00 H new ATOM 1080 N LYS A 77 159.463 -5.699 4.723 1.00 0.00 N ATOM 1081 CA LYS A 77 158.826 -6.579 3.751 1.00 0.00 C ATOM 1082 C LYS A 77 157.321 -6.654 3.991 1.00 0.00 C ATOM 1083 O LYS A 77 156.714 -7.719 3.867 1.00 0.00 O ATOM 1084 CB LYS A 77 159.436 -7.980 3.821 1.00 0.00 C ATOM 1085 CG LYS A 77 160.953 -7.988 3.712 1.00 0.00 C ATOM 1086 CD LYS A 77 161.411 -7.675 2.296 1.00 0.00 C ATOM 1087 CE LYS A 77 162.908 -7.415 2.240 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.667 -8.625 1.820 1.00 0.00 N ATOM 0 H LYS A 77 159.933 -4.891 4.316 1.00 0.00 H new ATOM 0 HA LYS A 77 158.998 -6.166 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.145 -8.448 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 77 159.019 -8.590 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.372 -7.255 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.335 -8.964 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.160 -8.508 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.875 -6.802 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 77 163.109 -6.601 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.257 -7.090 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.683 -8.406 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.496 -9.395 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.353 -8.921 0.874 1.00 0.00 H new ATOM 1102 N LYS A 78 156.724 -5.518 4.334 1.00 0.00 N ATOM 1103 CA LYS A 78 155.290 -5.455 4.591 1.00 0.00 C ATOM 1104 C LYS A 78 154.730 -4.086 4.219 1.00 0.00 C ATOM 1105 O LYS A 78 153.888 -3.534 4.928 1.00 0.00 O ATOM 1106 CB LYS A 78 155.001 -5.755 6.063 1.00 0.00 C ATOM 1107 CG LYS A 78 155.529 -7.104 6.524 1.00 0.00 C ATOM 1108 CD LYS A 78 155.130 -7.398 7.961 1.00 0.00 C ATOM 1109 CE LYS A 78 153.930 -8.331 8.026 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.998 -7.961 9.126 1.00 0.00 N ATOM 0 H LYS A 78 157.211 -4.628 4.441 1.00 0.00 H new ATOM 0 HA LYS A 78 154.802 -6.207 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.443 -4.972 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.924 -5.720 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.145 -7.888 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.615 -7.120 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.971 -7.848 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.895 -6.465 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.398 -8.305 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.274 -9.355 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.212 -8.641 9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.507 -7.978 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.623 -7.006 8.957 1.00 0.00 H new ATOM 1124 N ALA A 79 155.202 -3.543 3.101 1.00 0.00 N ATOM 1125 CA ALA A 79 154.749 -2.238 2.635 1.00 0.00 C ATOM 1126 C ALA A 79 154.591 -2.223 1.118 1.00 0.00 C ATOM 1127 O ALA A 79 155.576 -2.254 0.381 1.00 0.00 O ATOM 1128 CB ALA A 79 155.718 -1.153 3.077 1.00 0.00 C ATOM 0 H ALA A 79 155.898 -3.987 2.502 1.00 0.00 H new ATOM 0 HA ALA A 79 153.773 -2.040 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.366 -0.184 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.778 -1.140 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.705 -1.355 2.661 1.00 0.00 H new ATOM 1134 N LEU A 80 153.345 -2.174 0.658 1.00 0.00 N ATOM 1135 CA LEU A 80 153.058 -2.154 -0.771 1.00 0.00 C ATOM 1136 C LEU A 80 152.216 -0.937 -1.140 1.00 0.00 C ATOM 1137 O LEU A 80 151.022 -0.882 -0.847 1.00 0.00 O ATOM 1138 CB LEU A 80 152.330 -3.434 -1.184 1.00 0.00 C ATOM 1139 CG LEU A 80 151.917 -3.501 -2.655 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.133 -3.730 -3.540 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.885 -4.597 -2.871 1.00 0.00 C ATOM 0 H LEU A 80 152.518 -2.147 1.255 1.00 0.00 H new ATOM 0 HA LEU A 80 154.006 -2.094 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.973 -4.286 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.438 -3.541 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 80 151.466 -2.547 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.820 -3.775 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.839 -2.910 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.612 -4.669 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.603 -4.629 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.308 -5.558 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.003 -4.390 -2.266 1.00 0.00 H new ATOM 1153 N PHE A 81 152.848 0.039 -1.786 1.00 0.00 N ATOM 1154 CA PHE A 81 152.157 1.256 -2.195 1.00 0.00 C ATOM 1155 C PHE A 81 151.307 1.009 -3.437 1.00 0.00 C ATOM 1156 O PHE A 81 151.705 0.267 -4.335 1.00 0.00 O ATOM 1157 CB PHE A 81 153.167 2.373 -2.469 1.00 0.00 C ATOM 1158 CG PHE A 81 153.932 2.803 -1.249 1.00 0.00 C ATOM 1159 CD1 PHE A 81 155.004 2.057 -0.788 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.577 3.955 -0.564 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.708 2.451 0.334 1.00 0.00 C ATOM 1162 CE2 PHE A 81 154.278 4.354 0.558 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.345 3.600 1.008 1.00 0.00 C ATOM 0 H PHE A 81 153.836 0.010 -2.037 1.00 0.00 H new ATOM 0 HA PHE A 81 151.499 1.561 -1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.871 2.036 -3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.641 3.234 -2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.293 1.157 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.743 4.547 -0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.542 1.860 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.992 5.254 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.894 3.909 1.885 1.00 0.00 H new ATOM 1173 N VAL A 82 150.136 1.635 -3.480 1.00 0.00 N ATOM 1174 CA VAL A 82 149.229 1.481 -4.612 1.00 0.00 C ATOM 1175 C VAL A 82 148.290 2.677 -4.731 1.00 0.00 C ATOM 1176 O VAL A 82 148.185 3.490 -3.813 1.00 0.00 O ATOM 1177 CB VAL A 82 148.392 0.195 -4.492 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.267 -1.034 -4.677 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.673 0.150 -3.151 1.00 0.00 C ATOM 0 H VAL A 82 149.793 2.253 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 82 149.849 1.419 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 82 147.641 0.198 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.656 -1.932 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.730 -1.006 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.043 -1.046 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.086 -0.766 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.406 0.172 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.012 1.012 -3.064 1.00 0.00 H new ATOM 1189 N LYS A 83 147.610 2.775 -5.868 1.00 0.00 N ATOM 1190 CA LYS A 83 146.677 3.871 -6.108 1.00 0.00 C ATOM 1191 C LYS A 83 145.454 3.754 -5.206 1.00 0.00 C ATOM 1192 O LYS A 83 144.760 2.738 -5.212 1.00 0.00 O ATOM 1193 CB LYS A 83 146.244 3.888 -7.574 1.00 0.00 C ATOM 1194 CG LYS A 83 147.383 4.164 -8.542 1.00 0.00 C ATOM 1195 CD LYS A 83 147.037 3.716 -9.953 1.00 0.00 C ATOM 1196 CE LYS A 83 147.527 4.712 -10.991 1.00 0.00 C ATOM 1197 NZ LYS A 83 147.970 4.039 -12.243 1.00 0.00 N ATOM 0 H LYS A 83 147.687 2.110 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 83 147.188 4.806 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.792 2.927 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.473 4.647 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.610 5.230 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.281 3.647 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.483 2.740 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 83 145.957 3.597 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 83 146.729 5.418 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.354 5.290 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.296 4.754 -12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 148.749 3.384 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.175 3.509 -12.652 1.00 0.00 H new ATOM 1211 N LEU A 84 145.197 4.803 -4.432 1.00 0.00 N ATOM 1212 CA LEU A 84 144.059 4.823 -3.523 1.00 0.00 C ATOM 1213 C LEU A 84 142.750 4.654 -4.288 1.00 0.00 C ATOM 1214 O LEU A 84 141.796 4.062 -3.782 1.00 0.00 O ATOM 1215 CB LEU A 84 144.039 6.133 -2.733 1.00 0.00 C ATOM 1216 CG LEU A 84 142.825 6.326 -1.822 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.924 5.419 -0.605 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.705 7.781 -1.396 1.00 0.00 C ATOM 0 H LEU A 84 145.763 5.651 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 84 144.161 3.989 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.942 6.185 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.081 6.964 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 84 141.928 6.056 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.053 5.569 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.962 4.379 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.828 5.658 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.836 7.900 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.604 8.077 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.589 8.410 -2.279 1.00 0.00 H new ATOM 1230 N LYS A 85 142.712 5.177 -5.508 1.00 0.00 N ATOM 1231 CA LYS A 85 141.521 5.083 -6.343 1.00 0.00 C ATOM 1232 C LYS A 85 141.210 3.630 -6.689 1.00 0.00 C ATOM 1233 O LYS A 85 140.057 3.274 -6.936 1.00 0.00 O ATOM 1234 CB LYS A 85 141.707 5.896 -7.627 1.00 0.00 C ATOM 1235 CG LYS A 85 143.008 5.597 -8.352 1.00 0.00 C ATOM 1236 CD LYS A 85 142.945 6.026 -9.810 1.00 0.00 C ATOM 1237 CE LYS A 85 142.666 4.847 -10.728 1.00 0.00 C ATOM 1238 NZ LYS A 85 143.868 4.463 -11.521 1.00 0.00 N ATOM 0 H LYS A 85 143.493 5.671 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 85 140.681 5.491 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.872 5.695 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 85 141.672 6.958 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.830 6.113 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.221 4.530 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.166 6.778 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 85 143.888 6.494 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 85 142.336 3.995 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 85 141.850 5.099 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 143.731 4.739 -12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.705 4.947 -11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 144.007 3.434 -11.464 1.00 0.00 H new ATOM 1252 N SER A 86 142.243 2.794 -6.705 1.00 0.00 N ATOM 1253 CA SER A 86 142.077 1.380 -7.019 1.00 0.00 C ATOM 1254 C SER A 86 142.051 0.539 -5.747 1.00 0.00 C ATOM 1255 O SER A 86 142.486 -0.613 -5.743 1.00 0.00 O ATOM 1256 CB SER A 86 143.205 0.904 -7.936 1.00 0.00 C ATOM 1257 OG SER A 86 143.371 1.779 -9.038 1.00 0.00 O ATOM 0 H SER A 86 143.204 3.071 -6.504 1.00 0.00 H new ATOM 0 HA SER A 86 141.124 1.257 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.136 0.844 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 86 142.985 -0.101 -8.296 1.00 0.00 H new ATOM 0 HG SER A 86 144.099 1.453 -9.608 1.00 0.00 H new ATOM 1263 N CYS A 87 141.537 1.122 -4.669 1.00 0.00 N ATOM 1264 CA CYS A 87 141.454 0.427 -3.390 1.00 0.00 C ATOM 1265 C CYS A 87 140.001 0.231 -2.970 1.00 0.00 C ATOM 1266 O CYS A 87 139.186 1.148 -3.073 1.00 0.00 O ATOM 1267 CB CYS A 87 142.207 1.208 -2.311 1.00 0.00 C ATOM 1268 SG CYS A 87 144.005 1.180 -2.501 1.00 0.00 S ATOM 0 H CYS A 87 141.172 2.074 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 87 141.915 -0.554 -3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.867 2.244 -2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.949 0.799 -1.334 1.00 0.00 H new ATOM 0 HG CYS A 87 144.339 1.839 -3.571 1.00 0.00 H new ATOM 1274 N ARG A 88 139.683 -0.971 -2.498 1.00 0.00 N ATOM 1275 CA ARG A 88 138.328 -1.288 -2.063 1.00 0.00 C ATOM 1276 C ARG A 88 138.292 -1.575 -0.563 1.00 0.00 C ATOM 1277 O ARG A 88 139.234 -2.142 -0.010 1.00 0.00 O ATOM 1278 CB ARG A 88 137.790 -2.492 -2.839 1.00 0.00 C ATOM 1279 CG ARG A 88 136.954 -2.109 -4.051 1.00 0.00 C ATOM 1280 CD ARG A 88 135.509 -2.558 -3.902 1.00 0.00 C ATOM 1281 NE ARG A 88 135.240 -3.791 -4.638 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.146 -4.531 -4.470 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.219 -4.168 -3.594 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.980 -5.638 -5.181 1.00 0.00 N ATOM 0 H ARG A 88 140.346 -1.741 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 88 137.695 -0.424 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.628 -3.108 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.186 -3.105 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 88 136.987 -1.028 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.384 -2.558 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.284 -2.709 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 88 134.846 -1.770 -4.260 1.00 0.00 H new ATOM 0 HE ARG A 88 135.931 -4.103 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 88 133.342 -3.318 -3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 88 132.383 -4.739 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.690 -5.922 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 88 133.142 -6.206 -5.053 1.00 0.00 H new ATOM 1298 N PRO A 89 137.198 -1.187 0.118 1.00 0.00 N ATOM 1299 CA PRO A 89 137.048 -1.408 1.560 1.00 0.00 C ATOM 1300 C PRO A 89 137.285 -2.863 1.950 1.00 0.00 C ATOM 1301 O PRO A 89 136.808 -3.781 1.282 1.00 0.00 O ATOM 1302 CB PRO A 89 135.594 -1.013 1.832 1.00 0.00 C ATOM 1303 CG PRO A 89 135.252 -0.054 0.744 1.00 0.00 C ATOM 1304 CD PRO A 89 136.026 -0.505 -0.463 1.00 0.00 C ATOM 0 HA PRO A 89 137.774 -0.836 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.937 -1.883 1.814 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.486 -0.553 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.181 -0.057 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.522 0.965 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.439 -1.177 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.321 0.337 -1.089 1.00 0.00 H new ATOM 1312 N ASP A 90 138.026 -3.066 3.035 1.00 0.00 N ATOM 1313 CA ASP A 90 138.326 -4.409 3.514 1.00 0.00 C ATOM 1314 C ASP A 90 137.405 -4.795 4.667 1.00 0.00 C ATOM 1315 O ASP A 90 137.387 -4.137 5.706 1.00 0.00 O ATOM 1316 CB ASP A 90 139.786 -4.499 3.961 1.00 0.00 C ATOM 1317 CG ASP A 90 140.288 -5.929 4.013 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.463 -6.840 4.238 1.00 0.00 O ATOM 1319 OD2 ASP A 90 141.506 -6.138 3.828 1.00 0.00 O ATOM 0 H ASP A 90 138.429 -2.317 3.598 1.00 0.00 H new ATOM 0 HA ASP A 90 138.161 -5.106 2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.409 -3.923 3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.890 -4.044 4.946 1.00 0.00 H new ATOM 1324 N SER A 91 136.640 -5.865 4.475 1.00 0.00 N ATOM 1325 CA SER A 91 135.716 -6.338 5.498 1.00 0.00 C ATOM 1326 C SER A 91 136.321 -7.495 6.286 1.00 0.00 C ATOM 1327 O SER A 91 135.606 -8.375 6.764 1.00 0.00 O ATOM 1328 CB SER A 91 134.396 -6.776 4.860 1.00 0.00 C ATOM 1329 OG SER A 91 133.310 -6.584 5.749 1.00 0.00 O ATOM 0 H SER A 91 136.642 -6.421 3.620 1.00 0.00 H new ATOM 0 HA SER A 91 135.524 -5.515 6.186 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.225 -6.209 3.945 1.00 0.00 H new ATOM 0 HB3 SER A 91 134.457 -7.827 4.577 1.00 0.00 H new ATOM 0 HG SER A 91 132.479 -6.870 5.316 1.00 0.00 H new ATOM 1335 N ARG A 92 137.643 -7.487 6.418 1.00 0.00 N ATOM 1336 CA ARG A 92 138.345 -8.536 7.149 1.00 0.00 C ATOM 1337 C ARG A 92 137.999 -8.490 8.633 1.00 0.00 C ATOM 1338 O ARG A 92 137.991 -9.519 9.310 1.00 0.00 O ATOM 1339 CB ARG A 92 139.856 -8.395 6.960 1.00 0.00 C ATOM 1340 CG ARG A 92 140.387 -9.117 5.733 1.00 0.00 C ATOM 1341 CD ARG A 92 140.922 -10.495 6.085 1.00 0.00 C ATOM 1342 NE ARG A 92 139.849 -11.470 6.267 1.00 0.00 N ATOM 1343 CZ ARG A 92 140.030 -12.682 6.784 1.00 0.00 C ATOM 1344 NH1 ARG A 92 141.238 -13.075 7.169 1.00 0.00 N ATOM 1345 NH2 ARG A 92 138.999 -13.508 6.915 1.00 0.00 N ATOM 0 H ARG A 92 138.250 -6.766 6.028 1.00 0.00 H new ATOM 0 HA ARG A 92 138.025 -9.499 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 92 140.107 -7.337 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 92 140.362 -8.781 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 92 139.592 -9.212 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 92 141.179 -8.524 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 92 141.592 -10.836 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 92 141.513 -10.432 6.999 1.00 0.00 H new ATOM 0 HE ARG A 92 138.906 -11.206 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 92 142.035 -12.446 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 92 141.369 -14.006 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 92 138.068 -13.213 6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 92 139.137 -14.438 7.311 1.00 0.00 H new ATOM 1359 N PHE A 93 137.713 -7.293 9.133 1.00 0.00 N ATOM 1360 CA PHE A 93 137.366 -7.114 10.538 1.00 0.00 C ATOM 1361 C PHE A 93 136.006 -6.439 10.683 1.00 0.00 C ATOM 1362 O PHE A 93 135.761 -5.713 11.646 1.00 0.00 O ATOM 1363 CB PHE A 93 138.437 -6.284 11.248 1.00 0.00 C ATOM 1364 CG PHE A 93 139.732 -7.019 11.447 1.00 0.00 C ATOM 1365 CD1 PHE A 93 140.508 -7.389 10.360 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.173 -7.340 12.721 1.00 0.00 C ATOM 1367 CE1 PHE A 93 141.701 -8.064 10.540 1.00 0.00 C ATOM 1368 CE2 PHE A 93 141.365 -8.015 12.907 1.00 0.00 C ATOM 1369 CZ PHE A 93 142.129 -8.378 11.815 1.00 0.00 C ATOM 0 H PHE A 93 137.715 -6.432 8.586 1.00 0.00 H new ATOM 0 HA PHE A 93 137.313 -8.100 11.000 1.00 0.00 H new ATOM 0 HB2 PHE A 93 138.627 -5.380 10.670 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.055 -5.967 12.219 1.00 0.00 H new ATOM 0 HD1 PHE A 93 140.177 -7.147 9.361 1.00 0.00 H new ATOM 0 HD2 PHE A 93 139.579 -7.060 13.578 1.00 0.00 H new ATOM 0 HE1 PHE A 93 142.297 -8.345 9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 93 141.699 -8.258 13.905 1.00 0.00 H new ATOM 0 HZ PHE A 93 143.060 -8.907 11.958 1.00 0.00 H new ATOM 1379 N ALA A 94 135.123 -6.684 9.719 1.00 0.00 N ATOM 1380 CA ALA A 94 133.788 -6.099 9.741 1.00 0.00 C ATOM 1381 C ALA A 94 132.772 -7.072 10.327 1.00 0.00 C ATOM 1382 O ALA A 94 132.691 -8.228 9.909 1.00 0.00 O ATOM 1383 CB ALA A 94 133.373 -5.682 8.337 1.00 0.00 C ATOM 0 H ALA A 94 135.308 -7.283 8.914 1.00 0.00 H new ATOM 0 HA ALA A 94 133.815 -5.215 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 94 132.374 -5.247 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 94 134.079 -4.945 7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 94 133.369 -6.555 7.684 1.00 0.00 H new ATOM 1389 N SER A 95 131.999 -6.600 11.299 1.00 0.00 N ATOM 1390 CA SER A 95 130.987 -7.428 11.944 1.00 0.00 C ATOM 1391 C SER A 95 129.662 -7.353 11.194 1.00 0.00 C ATOM 1392 O SER A 95 129.017 -6.305 11.158 1.00 0.00 O ATOM 1393 CB SER A 95 130.791 -6.992 13.397 1.00 0.00 C ATOM 1394 OG SER A 95 130.890 -5.584 13.525 1.00 0.00 O ATOM 0 H SER A 95 132.054 -5.647 11.658 1.00 0.00 H new ATOM 0 HA SER A 95 131.334 -8.461 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 95 129.815 -7.325 13.751 1.00 0.00 H new ATOM 0 HB3 SER A 95 131.540 -7.471 14.028 1.00 0.00 H new ATOM 0 HG SER A 95 130.759 -5.331 14.463 1.00 0.00 H new ATOM 1400 N LEU A 96 129.260 -8.471 10.598 1.00 0.00 N ATOM 1401 CA LEU A 96 128.010 -8.531 9.849 1.00 0.00 C ATOM 1402 C LEU A 96 127.168 -9.724 10.295 1.00 0.00 C ATOM 1403 O LEU A 96 126.898 -10.636 9.512 1.00 0.00 O ATOM 1404 CB LEU A 96 128.294 -8.620 8.348 1.00 0.00 C ATOM 1405 CG LEU A 96 128.449 -7.275 7.638 1.00 0.00 C ATOM 1406 CD1 LEU A 96 129.872 -6.756 7.782 1.00 0.00 C ATOM 1407 CD2 LEU A 96 128.074 -7.403 6.170 1.00 0.00 C ATOM 0 H LEU A 96 129.782 -9.347 10.619 1.00 0.00 H new ATOM 0 HA LEU A 96 127.449 -7.618 10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 96 129.206 -9.199 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 96 127.484 -9.173 7.873 1.00 0.00 H new ATOM 0 HG LEU A 96 127.774 -6.559 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 96 129.963 -5.798 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 96 130.107 -6.627 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 130.566 -7.471 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 96 128.190 -6.437 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 96 128.725 -8.134 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 96 127.038 -7.730 6.086 1.00 0.00 H new ATOM 1419 N GLN A 97 126.757 -9.711 11.559 1.00 0.00 N ATOM 1420 CA GLN A 97 125.947 -10.790 12.110 1.00 0.00 C ATOM 1421 C GLN A 97 124.516 -10.728 11.576 1.00 0.00 C ATOM 1422 O GLN A 97 124.045 -11.665 10.932 1.00 0.00 O ATOM 1423 CB GLN A 97 125.941 -10.721 13.640 1.00 0.00 C ATOM 1424 CG GLN A 97 126.526 -11.955 14.306 1.00 0.00 C ATOM 1425 CD GLN A 97 127.328 -11.623 15.549 1.00 0.00 C ATOM 1426 OE1 GLN A 97 128.215 -10.768 15.519 1.00 0.00 O ATOM 1427 NE2 GLN A 97 127.020 -12.297 16.650 1.00 0.00 N ATOM 0 H GLN A 97 126.972 -8.965 12.220 1.00 0.00 H new ATOM 0 HA GLN A 97 126.388 -11.737 11.799 1.00 0.00 H new ATOM 0 HB2 GLN A 97 126.505 -9.844 13.958 1.00 0.00 H new ATOM 0 HB3 GLN A 97 124.916 -10.583 13.985 1.00 0.00 H new ATOM 0 HG2 GLN A 97 125.718 -12.637 14.571 1.00 0.00 H new ATOM 0 HG3 GLN A 97 127.165 -12.478 13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 97 126.278 -12.996 16.629 1.00 0.00 H new ATOM 0 HE22 GLN A 97 127.525 -12.116 17.517 1.00 0.00 H new ATOM 1436 N PRO A 98 123.805 -9.618 11.839 1.00 0.00 N ATOM 1437 CA PRO A 98 122.423 -9.441 11.383 1.00 0.00 C ATOM 1438 C PRO A 98 122.336 -9.185 9.882 1.00 0.00 C ATOM 1439 O PRO A 98 121.504 -9.772 9.190 1.00 0.00 O ATOM 1440 CB PRO A 98 121.948 -8.215 12.163 1.00 0.00 C ATOM 1441 CG PRO A 98 123.189 -7.437 12.434 1.00 0.00 C ATOM 1442 CD PRO A 98 124.289 -8.450 12.603 1.00 0.00 C ATOM 0 HA PRO A 98 121.819 -10.332 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 98 121.232 -7.631 11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 98 121.451 -8.503 13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 98 123.409 -6.756 11.612 1.00 0.00 H new ATOM 0 HG3 PRO A 98 123.079 -6.828 13.331 1.00 0.00 H new ATOM 0 HD2 PRO A 98 125.238 -8.081 12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 98 124.450 -8.696 13.653 1.00 0.00 H new ATOM 1450 N SER A 99 123.200 -8.306 9.385 1.00 0.00 N ATOM 1451 CA SER A 99 123.219 -7.974 7.965 1.00 0.00 C ATOM 1452 C SER A 99 121.874 -7.407 7.521 1.00 0.00 C ATOM 1453 O SER A 99 121.020 -7.091 8.348 1.00 0.00 O ATOM 1454 CB SER A 99 123.566 -9.211 7.134 1.00 0.00 C ATOM 1455 OG SER A 99 124.331 -8.862 5.994 1.00 0.00 O ATOM 0 H SER A 99 123.895 -7.811 9.944 1.00 0.00 H new ATOM 0 HA SER A 99 123.983 -7.214 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 99 124.123 -9.920 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 99 122.650 -9.712 6.821 1.00 0.00 H new ATOM 0 HG SER A 99 124.541 -9.670 5.481 1.00 0.00 H new ATOM 1461 N GLY A 100 121.693 -7.282 6.210 1.00 0.00 N ATOM 1462 CA GLY A 100 120.450 -6.753 5.680 1.00 0.00 C ATOM 1463 C GLY A 100 119.356 -7.803 5.611 1.00 0.00 C ATOM 1464 O GLY A 100 119.639 -8.982 5.399 1.00 0.00 O ATOM 0 H GLY A 100 122.385 -7.538 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 100 120.116 -5.925 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 100 120.626 -6.350 4.683 1.00 0.00 H new ATOM 1468 N PRO A 101 118.085 -7.404 5.789 1.00 0.00 N ATOM 1469 CA PRO A 101 116.952 -8.333 5.743 1.00 0.00 C ATOM 1470 C PRO A 101 116.660 -8.821 4.328 1.00 0.00 C ATOM 1471 O PRO A 101 116.427 -8.023 3.421 1.00 0.00 O ATOM 1472 CB PRO A 101 115.786 -7.494 6.269 1.00 0.00 C ATOM 1473 CG PRO A 101 116.154 -6.088 5.942 1.00 0.00 C ATOM 1474 CD PRO A 101 117.653 -6.016 6.049 1.00 0.00 C ATOM 0 HA PRO A 101 117.141 -9.237 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 101 114.847 -7.778 5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 101 115.653 -7.629 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 101 115.821 -5.821 4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 101 115.680 -5.390 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 101 118.074 -5.322 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 101 117.969 -5.675 7.035 1.00 0.00 H new ATOM 1482 N SER A 102 116.674 -10.138 4.148 1.00 0.00 N ATOM 1483 CA SER A 102 116.412 -10.733 2.842 1.00 0.00 C ATOM 1484 C SER A 102 116.109 -12.222 2.974 1.00 0.00 C ATOM 1485 O SER A 102 114.991 -12.664 2.712 1.00 0.00 O ATOM 1486 CB SER A 102 117.608 -10.524 1.913 1.00 0.00 C ATOM 1487 OG SER A 102 118.116 -9.206 2.023 1.00 0.00 O ATOM 0 H SER A 102 116.864 -10.813 4.889 1.00 0.00 H new ATOM 0 HA SER A 102 115.539 -10.239 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 102 118.392 -11.241 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 102 117.310 -10.717 0.883 1.00 0.00 H new ATOM 0 HG SER A 102 117.371 -8.573 2.097 1.00 0.00 H new ATOM 1493 N SER A 103 117.113 -12.991 3.383 1.00 0.00 N ATOM 1494 CA SER A 103 116.954 -14.431 3.549 1.00 0.00 C ATOM 1495 C SER A 103 116.257 -14.753 4.867 1.00 0.00 C ATOM 1496 O SER A 103 115.461 -15.689 4.948 1.00 0.00 O ATOM 1497 CB SER A 103 118.316 -15.125 3.496 1.00 0.00 C ATOM 1498 OG SER A 103 119.347 -14.261 3.943 1.00 0.00 O ATOM 0 H SER A 103 118.045 -12.641 3.605 1.00 0.00 H new ATOM 0 HA SER A 103 116.334 -14.800 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 103 118.295 -16.022 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 103 118.524 -15.447 2.476 1.00 0.00 H new ATOM 0 HG SER A 103 120.207 -14.729 3.901 1.00 0.00 H new ATOM 1504 N GLY A 104 116.563 -13.971 5.898 1.00 0.00 N ATOM 1505 CA GLY A 104 115.957 -14.190 7.198 1.00 0.00 C ATOM 1506 C GLY A 104 116.797 -13.632 8.330 1.00 0.00 C ATOM 1507 O GLY A 104 116.544 -12.483 8.749 1.00 0.00 O ATOM 1508 OXT GLY A 104 117.710 -14.346 8.800 1.00 0.00 O ATOM 0 H GLY A 104 117.219 -13.191 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 104 114.971 -13.726 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 104 115.810 -15.259 7.352 1.00 0.00 H new TER 1512 GLY A 104