USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 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 81 ASN : amide:sc= -3.34! K(o=-19!,f=-14) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -15.7! C(o=-19!,f=-19!) USER MOD Single : A 1 MET CE :methyl -145:sc= -0.313 (180deg=-1.45!) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0766 (180deg=-0.566) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 26:sc= 0.0152 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0999 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot -120:sc= -5.47! USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.0024 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -56:sc= 1.2 USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -0.272 (180deg=-1.25!) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.077 (180deg=-0.426) USER MOD Single : A 49 TYR OH : rot 50:sc= -1.05 USER MOD Single : A 56 THR OG1 : rot 106:sc= 0.019 USER MOD Single : A 59 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.27) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.388) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.72 USER MOD Single : A 91 MET CE :methyl -170:sc= 0 (180deg=-0.137) USER MOD Single : A 92 SER OG : rot 175:sc= -0.328 USER MOD Single : A 95 TYR OH : rot 96:sc= 0.668 USER MOD Single : A 96 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.34) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -61:sc= 1.02 USER MOD Single : A 108 THR OG1 : rot 170:sc= -3.24! USER MOD Single : A 109 TYR OH : rot 30:sc= -3.3! USER MOD Single : A 110 SER OG : rot 73:sc= 0.8 USER MOD Single : A 113 ASN : amide:sc= -0.252 K(o=-0.25,f=0.81) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.763 -4.071 -2.510 1.00 70.30 N ATOM 2 CA MET A 1 2.894 -3.592 -3.287 1.00 31.34 C ATOM 3 C MET A 1 4.112 -3.355 -2.392 1.00 1.31 C ATOM 4 O MET A 1 4.077 -3.649 -1.198 1.00 60.52 O ATOM 5 CB MET A 1 2.514 -2.288 -3.990 1.00 5.41 C ATOM 6 CG MET A 1 1.493 -2.541 -5.100 1.00 52.54 C ATOM 7 SD MET A 1 0.534 -1.064 -5.396 1.00 22.12 S ATOM 8 CE MET A 1 -0.355 -0.958 -3.852 1.00 12.11 C ATOM 0 H1 MET A 1 1.450 -4.990 -2.883 1.00 70.30 H new ATOM 0 H2 MET A 1 2.046 -4.179 -1.515 1.00 70.30 H new ATOM 0 H3 MET A 1 0.982 -3.387 -2.576 1.00 70.30 H new ATOM 0 HA MET A 1 3.152 -4.351 -4.026 1.00 31.34 H new ATOM 0 HB2 MET A 1 2.102 -1.587 -3.265 1.00 5.41 H new ATOM 0 HB3 MET A 1 3.406 -1.824 -4.411 1.00 5.41 H new ATOM 0 HG2 MET A 1 2.005 -2.842 -6.014 1.00 52.54 H new ATOM 0 HG3 MET A 1 0.834 -3.362 -4.819 1.00 52.54 H new ATOM 0 HE1 MET A 1 -1.356 -0.566 -4.034 1.00 12.11 H new ATOM 0 HE2 MET A 1 -0.430 -1.950 -3.406 1.00 12.11 H new ATOM 0 HE3 MET A 1 0.177 -0.293 -3.171 1.00 12.11 H new ATOM 18 N LYS A 2 5.161 -2.824 -3.003 1.00 52.23 N ATOM 19 CA LYS A 2 6.388 -2.543 -2.277 1.00 74.20 C ATOM 20 C LYS A 2 6.642 -1.035 -2.279 1.00 4.53 C ATOM 21 O LYS A 2 6.910 -0.445 -1.233 1.00 22.54 O ATOM 22 CB LYS A 2 7.547 -3.363 -2.847 1.00 31.35 C ATOM 23 CG LYS A 2 7.367 -3.599 -4.348 1.00 14.24 C ATOM 24 CD LYS A 2 8.630 -4.204 -4.963 1.00 74.32 C ATOM 25 CE LYS A 2 8.484 -4.353 -6.479 1.00 14.00 C ATOM 26 NZ LYS A 2 9.791 -4.669 -7.097 1.00 34.51 N ATOM 0 H LYS A 2 5.186 -2.581 -3.993 1.00 52.23 H new ATOM 0 HA LYS A 2 6.293 -2.849 -1.235 1.00 74.20 H new ATOM 0 HB2 LYS A 2 8.488 -2.843 -2.668 1.00 31.35 H new ATOM 0 HB3 LYS A 2 7.608 -4.320 -2.330 1.00 31.35 H new ATOM 0 HG2 LYS A 2 6.521 -4.266 -4.516 1.00 14.24 H new ATOM 0 HG3 LYS A 2 7.133 -2.656 -4.843 1.00 14.24 H new ATOM 0 HD2 LYS A 2 9.488 -3.571 -4.737 1.00 74.32 H new ATOM 0 HD3 LYS A 2 8.826 -5.178 -4.515 1.00 74.32 H new ATOM 0 HE2 LYS A 2 7.768 -5.143 -6.705 1.00 14.00 H new ATOM 0 HE3 LYS A 2 8.087 -3.431 -6.904 1.00 14.00 H new ATOM 0 HZ1 LYS A 2 9.674 -4.767 -8.126 1.00 34.51 H new ATOM 0 HZ2 LYS A 2 10.464 -3.902 -6.896 1.00 34.51 H new ATOM 0 HZ3 LYS A 2 10.155 -5.561 -6.704 1.00 34.51 H new ATOM 39 N SER A 3 6.550 -0.452 -3.465 1.00 62.42 N ATOM 40 CA SER A 3 6.767 0.976 -3.617 1.00 3.32 C ATOM 41 C SER A 3 5.783 1.550 -4.638 1.00 34.22 C ATOM 42 O SER A 3 5.611 0.993 -5.721 1.00 63.11 O ATOM 43 CB SER A 3 8.207 1.272 -4.043 1.00 55.42 C ATOM 44 OG SER A 3 8.568 0.567 -5.227 1.00 64.04 O ATOM 0 H SER A 3 6.328 -0.944 -4.331 1.00 62.42 H new ATOM 0 HA SER A 3 6.597 1.452 -2.651 1.00 3.32 H new ATOM 0 HB2 SER A 3 8.323 2.343 -4.209 1.00 55.42 H new ATOM 0 HB3 SER A 3 8.887 0.999 -3.236 1.00 55.42 H new ATOM 0 HG SER A 3 7.764 0.381 -5.755 1.00 64.04 H new ATOM 50 N THR A 4 5.161 2.656 -4.256 1.00 62.11 N ATOM 51 CA THR A 4 4.198 3.311 -5.125 1.00 1.12 C ATOM 52 C THR A 4 4.897 3.885 -6.359 1.00 1.55 C ATOM 53 O THR A 4 4.351 3.846 -7.460 1.00 45.32 O ATOM 54 CB THR A 4 3.458 4.366 -4.300 1.00 31.43 C ATOM 55 OG1 THR A 4 4.473 4.941 -3.481 1.00 35.20 O ATOM 56 CG2 THR A 4 2.479 3.746 -3.300 1.00 42.10 C ATOM 0 H THR A 4 5.305 3.115 -3.357 1.00 62.11 H new ATOM 0 HA THR A 4 3.463 2.602 -5.507 1.00 1.12 H new ATOM 0 HB THR A 4 2.918 5.037 -4.968 1.00 31.43 H new ATOM 0 HG1 THR A 4 4.080 5.637 -2.914 1.00 35.20 H new ATOM 0 HG21 THR A 4 1.980 4.537 -2.740 1.00 42.10 H new ATOM 0 HG22 THR A 4 1.735 3.157 -3.837 1.00 42.10 H new ATOM 0 HG23 THR A 4 3.023 3.101 -2.610 1.00 42.10 H new ATOM 64 N PHE A 5 6.094 4.406 -6.132 1.00 64.32 N ATOM 65 CA PHE A 5 6.874 4.988 -7.212 1.00 32.53 C ATOM 66 C PHE A 5 6.853 4.088 -8.449 1.00 44.13 C ATOM 67 O PHE A 5 7.023 4.565 -9.570 1.00 71.25 O ATOM 68 CB PHE A 5 8.313 5.110 -6.708 1.00 64.34 C ATOM 69 CG PHE A 5 8.491 6.115 -5.569 1.00 10.22 C ATOM 70 CD1 PHE A 5 7.430 6.850 -5.139 1.00 44.44 C ATOM 71 CD2 PHE A 5 9.709 6.274 -4.985 1.00 62.34 C ATOM 72 CE1 PHE A 5 7.595 7.784 -4.082 1.00 22.52 C ATOM 73 CE2 PHE A 5 9.874 7.207 -3.928 1.00 31.11 C ATOM 74 CZ PHE A 5 8.813 7.942 -3.498 1.00 44.14 C ATOM 0 H PHE A 5 6.543 4.437 -5.217 1.00 64.32 H new ATOM 0 HA PHE A 5 6.458 5.956 -7.493 1.00 32.53 H new ATOM 0 HB2 PHE A 5 8.653 4.131 -6.371 1.00 64.34 H new ATOM 0 HB3 PHE A 5 8.955 5.402 -7.539 1.00 64.34 H new ATOM 0 HD1 PHE A 5 6.462 6.723 -5.601 1.00 44.44 H new ATOM 0 HD2 PHE A 5 10.551 5.690 -5.326 1.00 62.34 H new ATOM 0 HE1 PHE A 5 6.753 8.369 -3.742 1.00 22.52 H new ATOM 0 HE2 PHE A 5 10.842 7.333 -3.465 1.00 31.11 H new ATOM 0 HZ PHE A 5 8.938 8.651 -2.693 1.00 44.14 H new ATOM 84 N LYS A 6 6.644 2.803 -8.204 1.00 65.11 N ATOM 85 CA LYS A 6 6.600 1.832 -9.285 1.00 13.54 C ATOM 86 C LYS A 6 5.396 2.130 -10.182 1.00 23.54 C ATOM 87 O LYS A 6 5.515 2.130 -11.406 1.00 3.32 O ATOM 88 CB LYS A 6 6.614 0.408 -8.726 1.00 52.03 C ATOM 89 CG LYS A 6 7.058 -0.595 -9.793 1.00 42.42 C ATOM 90 CD LYS A 6 5.861 -1.106 -10.597 1.00 63.41 C ATOM 91 CE LYS A 6 6.277 -1.479 -12.022 1.00 14.51 C ATOM 92 NZ LYS A 6 5.086 -1.791 -12.844 1.00 20.02 N ATOM 0 H LYS A 6 6.503 2.411 -7.273 1.00 65.11 H new ATOM 0 HA LYS A 6 7.490 1.913 -9.908 1.00 13.54 H new ATOM 0 HB2 LYS A 6 7.287 0.356 -7.870 1.00 52.03 H new ATOM 0 HB3 LYS A 6 5.619 0.145 -8.366 1.00 52.03 H new ATOM 0 HG2 LYS A 6 7.777 -0.124 -10.464 1.00 42.42 H new ATOM 0 HG3 LYS A 6 7.567 -1.434 -9.319 1.00 42.42 H new ATOM 0 HD2 LYS A 6 5.429 -1.975 -10.101 1.00 63.41 H new ATOM 0 HD3 LYS A 6 5.086 -0.340 -10.629 1.00 63.41 H new ATOM 0 HE2 LYS A 6 6.832 -0.656 -12.473 1.00 14.51 H new ATOM 0 HE3 LYS A 6 6.946 -2.339 -11.999 1.00 14.51 H new ATOM 0 HZ1 LYS A 6 5.385 -2.042 -13.808 1.00 20.02 H new ATOM 0 HZ2 LYS A 6 4.572 -2.591 -12.422 1.00 20.02 H new ATOM 0 HZ3 LYS A 6 4.462 -0.960 -12.881 1.00 20.02 H new ATOM 105 N SER A 7 4.265 2.375 -9.537 1.00 72.34 N ATOM 106 CA SER A 7 3.041 2.673 -10.262 1.00 32.45 C ATOM 107 C SER A 7 2.800 4.183 -10.283 1.00 41.43 C ATOM 108 O SER A 7 2.792 4.799 -11.348 1.00 41.02 O ATOM 109 CB SER A 7 1.843 1.953 -9.638 1.00 1.31 C ATOM 110 OG SER A 7 1.888 0.547 -9.863 1.00 64.13 O ATOM 0 H SER A 7 4.170 2.373 -8.521 1.00 72.34 H new ATOM 0 HA SER A 7 3.154 2.315 -11.285 1.00 32.45 H new ATOM 0 HB2 SER A 7 1.821 2.148 -8.566 1.00 1.31 H new ATOM 0 HB3 SER A 7 0.920 2.357 -10.054 1.00 1.31 H new ATOM 0 HG SER A 7 1.107 0.124 -9.448 1.00 64.13 H new ATOM 116 N GLU A 8 2.610 4.737 -9.095 1.00 11.21 N ATOM 117 CA GLU A 8 2.370 6.164 -8.964 1.00 13.30 C ATOM 118 C GLU A 8 3.257 6.943 -9.937 1.00 53.33 C ATOM 119 O GLU A 8 2.831 7.951 -10.500 1.00 61.22 O ATOM 120 CB GLU A 8 2.596 6.629 -7.524 1.00 24.40 C ATOM 121 CG GLU A 8 1.331 6.446 -6.683 1.00 62.42 C ATOM 122 CD GLU A 8 0.207 7.359 -7.178 1.00 24.51 C ATOM 123 OE1 GLU A 8 -0.695 6.899 -7.894 1.00 3.00 O ATOM 124 OE2 GLU A 8 0.293 8.586 -6.792 1.00 13.50 O ATOM 0 H GLU A 8 2.617 4.223 -8.214 1.00 11.21 H new ATOM 0 HA GLU A 8 1.328 6.361 -9.215 1.00 13.30 H new ATOM 0 HB2 GLU A 8 3.416 6.065 -7.081 1.00 24.40 H new ATOM 0 HB3 GLU A 8 2.891 7.678 -7.519 1.00 24.40 H new ATOM 0 HG2 GLU A 8 1.007 5.406 -6.729 1.00 62.42 H new ATOM 0 HG3 GLU A 8 1.550 6.666 -5.638 1.00 62.42 H new ATOM 132 N TYR A 9 4.474 6.447 -10.106 1.00 14.13 N ATOM 133 CA TYR A 9 5.424 7.084 -11.001 1.00 42.12 C ATOM 134 C TYR A 9 5.969 6.085 -12.024 1.00 21.45 C ATOM 135 O TYR A 9 5.940 4.877 -11.792 1.00 64.24 O ATOM 136 CB TYR A 9 6.575 7.571 -10.118 1.00 31.50 C ATOM 137 CG TYR A 9 6.388 8.990 -9.578 1.00 60.14 C ATOM 138 CD1 TYR A 9 6.119 10.028 -10.447 1.00 11.44 C ATOM 139 CD2 TYR A 9 6.489 9.232 -8.223 1.00 74.23 C ATOM 140 CE1 TYR A 9 5.943 11.364 -9.939 1.00 1.33 C ATOM 141 CE2 TYR A 9 6.313 10.568 -7.715 1.00 72.24 C ATOM 142 CZ TYR A 9 6.049 11.568 -8.598 1.00 53.11 C ATOM 143 OH TYR A 9 5.883 12.830 -8.118 1.00 74.24 O ATOM 0 H TYR A 9 4.824 5.611 -9.638 1.00 14.13 H new ATOM 0 HA TYR A 9 4.947 7.895 -11.552 1.00 42.12 H new ATOM 0 HB2 TYR A 9 6.690 6.886 -9.278 1.00 31.50 H new ATOM 0 HB3 TYR A 9 7.501 7.531 -10.691 1.00 31.50 H new ATOM 0 HD1 TYR A 9 6.041 9.838 -11.507 1.00 11.44 H new ATOM 0 HD2 TYR A 9 6.700 8.419 -7.544 1.00 74.23 H new ATOM 0 HE1 TYR A 9 5.732 12.186 -10.607 1.00 1.33 H new ATOM 0 HE2 TYR A 9 6.389 10.771 -6.657 1.00 72.24 H new ATOM 0 HH TYR A 9 5.985 12.825 -7.143 1.00 74.24 H new ATOM 153 N PRO A 10 6.466 6.639 -13.162 1.00 12.45 N ATOM 154 CA PRO A 10 7.016 5.810 -14.220 1.00 4.11 C ATOM 155 C PRO A 10 8.398 5.276 -13.836 1.00 10.51 C ATOM 156 O PRO A 10 9.028 5.784 -12.910 1.00 1.35 O ATOM 157 CB PRO A 10 7.046 6.707 -15.447 1.00 71.40 C ATOM 158 CG PRO A 10 6.949 8.131 -14.925 1.00 64.11 C ATOM 159 CD PRO A 10 6.516 8.066 -13.470 1.00 22.44 C ATOM 0 HA PRO A 10 6.419 4.918 -14.409 1.00 4.11 H new ATOM 0 HB2 PRO A 10 7.965 6.561 -16.015 1.00 71.40 H new ATOM 0 HB3 PRO A 10 6.217 6.480 -16.117 1.00 71.40 H new ATOM 0 HG2 PRO A 10 7.910 8.637 -15.015 1.00 64.11 H new ATOM 0 HG3 PRO A 10 6.231 8.704 -15.512 1.00 64.11 H new ATOM 0 HD2 PRO A 10 7.222 8.586 -12.823 1.00 22.44 H new ATOM 0 HD3 PRO A 10 5.544 8.537 -13.325 1.00 22.44 H new ATOM 167 N PHE A 11 8.828 4.259 -14.567 1.00 44.24 N ATOM 168 CA PHE A 11 10.124 3.651 -14.315 1.00 51.22 C ATOM 169 C PHE A 11 11.256 4.536 -14.841 1.00 63.51 C ATOM 170 O PHE A 11 12.401 4.405 -14.411 1.00 64.13 O ATOM 171 CB PHE A 11 10.145 2.317 -15.064 1.00 21.04 C ATOM 172 CG PHE A 11 11.545 1.727 -15.244 1.00 22.35 C ATOM 173 CD1 PHE A 11 12.398 2.264 -16.157 1.00 15.20 C ATOM 174 CD2 PHE A 11 11.937 0.665 -14.490 1.00 63.52 C ATOM 175 CE1 PHE A 11 13.697 1.716 -16.324 1.00 12.30 C ATOM 176 CE2 PHE A 11 13.237 0.117 -14.657 1.00 73.43 C ATOM 177 CZ PHE A 11 14.089 0.654 -15.571 1.00 0.13 C ATOM 0 H PHE A 11 8.302 3.840 -15.334 1.00 44.24 H new ATOM 0 HA PHE A 11 10.271 3.518 -13.243 1.00 51.22 H new ATOM 0 HB2 PHE A 11 9.526 1.600 -14.525 1.00 21.04 H new ATOM 0 HB3 PHE A 11 9.691 2.456 -16.045 1.00 21.04 H new ATOM 0 HD1 PHE A 11 12.087 3.108 -16.755 1.00 15.20 H new ATOM 0 HD2 PHE A 11 11.260 0.238 -13.765 1.00 63.52 H new ATOM 0 HE1 PHE A 11 14.374 2.143 -17.049 1.00 12.30 H new ATOM 0 HE2 PHE A 11 13.549 -0.726 -14.058 1.00 73.43 H new ATOM 0 HZ PHE A 11 15.077 0.237 -15.699 1.00 0.13 H new ATOM 187 N GLU A 12 10.897 5.416 -15.764 1.00 31.14 N ATOM 188 CA GLU A 12 11.869 6.322 -16.353 1.00 34.43 C ATOM 189 C GLU A 12 12.153 7.487 -15.402 1.00 74.45 C ATOM 190 O GLU A 12 13.310 7.800 -15.127 1.00 32.52 O ATOM 191 CB GLU A 12 11.390 6.829 -17.714 1.00 61.14 C ATOM 192 CG GLU A 12 12.575 7.159 -18.624 1.00 3.42 C ATOM 193 CD GLU A 12 12.101 7.791 -19.934 1.00 44.23 C ATOM 194 OE1 GLU A 12 11.974 7.091 -20.950 1.00 20.04 O ATOM 195 OE2 GLU A 12 11.861 9.057 -19.874 1.00 1.24 O ATOM 0 H GLU A 12 9.946 5.521 -16.119 1.00 31.14 H new ATOM 0 HA GLU A 12 12.798 5.774 -16.512 1.00 34.43 H new ATOM 0 HB2 GLU A 12 10.763 6.074 -18.187 1.00 61.14 H new ATOM 0 HB3 GLU A 12 10.772 7.717 -17.579 1.00 61.14 H new ATOM 0 HG2 GLU A 12 13.253 7.841 -18.111 1.00 3.42 H new ATOM 0 HG3 GLU A 12 13.138 6.251 -18.837 1.00 3.42 H new ATOM 203 N LYS A 13 11.077 8.097 -14.928 1.00 12.12 N ATOM 204 CA LYS A 13 11.196 9.221 -14.014 1.00 72.23 C ATOM 205 C LYS A 13 12.284 8.920 -12.981 1.00 74.34 C ATOM 206 O LYS A 13 13.209 9.710 -12.801 1.00 13.04 O ATOM 207 CB LYS A 13 9.837 9.555 -13.396 1.00 54.23 C ATOM 208 CG LYS A 13 9.086 10.583 -14.246 1.00 2.24 C ATOM 209 CD LYS A 13 9.482 12.009 -13.857 1.00 12.10 C ATOM 210 CE LYS A 13 9.211 12.985 -15.004 1.00 13.14 C ATOM 211 NZ LYS A 13 10.340 12.987 -15.961 1.00 34.52 N ATOM 0 H LYS A 13 10.119 7.835 -15.159 1.00 12.12 H new ATOM 0 HA LYS A 13 11.505 10.118 -14.551 1.00 72.23 H new ATOM 0 HB2 LYS A 13 9.241 8.647 -13.306 1.00 54.23 H new ATOM 0 HB3 LYS A 13 9.978 9.945 -12.388 1.00 54.23 H new ATOM 0 HG2 LYS A 13 9.303 10.416 -15.301 1.00 2.24 H new ATOM 0 HG3 LYS A 13 8.012 10.452 -14.117 1.00 2.24 H new ATOM 0 HD2 LYS A 13 8.924 12.317 -12.973 1.00 12.10 H new ATOM 0 HD3 LYS A 13 10.539 12.037 -13.592 1.00 12.10 H new ATOM 0 HE2 LYS A 13 8.291 12.705 -15.518 1.00 13.14 H new ATOM 0 HE3 LYS A 13 9.061 13.989 -14.607 1.00 13.14 H new ATOM 0 HZ1 LYS A 13 10.140 13.655 -16.733 1.00 34.52 H new ATOM 0 HZ2 LYS A 13 11.210 13.276 -15.471 1.00 34.52 H new ATOM 0 HZ3 LYS A 13 10.464 12.032 -16.353 1.00 34.52 H new ATOM 224 N ARG A 14 12.137 7.775 -12.331 1.00 15.03 N ATOM 225 CA ARG A 14 13.095 7.360 -11.321 1.00 30.24 C ATOM 226 C ARG A 14 14.513 7.378 -11.895 1.00 71.52 C ATOM 227 O ARG A 14 15.381 8.090 -11.394 1.00 11.24 O ATOM 228 CB ARG A 14 12.778 5.954 -10.806 1.00 3.34 C ATOM 229 CG ARG A 14 11.394 5.908 -10.155 1.00 61.33 C ATOM 230 CD ARG A 14 11.360 6.749 -8.878 1.00 52.30 C ATOM 231 NE ARG A 14 11.023 8.153 -9.205 1.00 73.45 N ATOM 232 CZ ARG A 14 11.112 9.176 -8.330 1.00 52.51 C ATOM 233 NH1 ARG A 14 11.529 8.961 -7.064 1.00 50.43 N ATOM 234 NH2 ARG A 14 10.785 10.391 -8.730 1.00 51.14 N ATOM 0 H ARG A 14 11.369 7.122 -12.484 1.00 15.03 H new ATOM 0 HA ARG A 14 13.027 8.063 -10.491 1.00 30.24 H new ATOM 0 HB2 ARG A 14 12.820 5.243 -11.631 1.00 3.34 H new ATOM 0 HB3 ARG A 14 13.534 5.648 -10.083 1.00 3.34 H new ATOM 0 HG2 ARG A 14 10.646 6.276 -10.857 1.00 61.33 H new ATOM 0 HG3 ARG A 14 11.132 4.876 -9.922 1.00 61.33 H new ATOM 0 HD2 ARG A 14 10.624 6.342 -8.184 1.00 52.30 H new ATOM 0 HD3 ARG A 14 12.328 6.706 -8.378 1.00 52.30 H new ATOM 0 HE ARG A 14 10.703 8.360 -10.151 1.00 73.45 H new ATOM 0 HH11 ARG A 14 11.780 8.019 -6.763 1.00 50.43 H new ATOM 0 HH12 ARG A 14 11.593 9.740 -6.409 1.00 50.43 H new ATOM 0 HH21 ARG A 14 10.471 10.545 -9.688 1.00 51.14 H new ATOM 0 HH22 ARG A 14 10.847 11.175 -8.081 1.00 51.14 H new ATOM 247 N LYS A 15 14.704 6.585 -12.939 1.00 71.34 N ATOM 248 CA LYS A 15 16.002 6.500 -13.588 1.00 14.34 C ATOM 249 C LYS A 15 16.547 7.912 -13.813 1.00 22.15 C ATOM 250 O LYS A 15 17.756 8.132 -13.749 1.00 32.41 O ATOM 251 CB LYS A 15 15.908 5.666 -14.867 1.00 24.13 C ATOM 252 CG LYS A 15 17.145 5.869 -15.745 1.00 30.42 C ATOM 253 CD LYS A 15 17.201 4.825 -16.862 1.00 53.13 C ATOM 254 CE LYS A 15 18.111 5.289 -18.001 1.00 3.31 C ATOM 255 NZ LYS A 15 18.137 4.284 -19.087 1.00 31.13 N ATOM 0 H LYS A 15 13.981 5.995 -13.352 1.00 71.34 H new ATOM 0 HA LYS A 15 16.715 5.980 -12.948 1.00 14.34 H new ATOM 0 HB2 LYS A 15 15.808 4.611 -14.611 1.00 24.13 H new ATOM 0 HB3 LYS A 15 15.013 5.945 -15.423 1.00 24.13 H new ATOM 0 HG2 LYS A 15 17.128 6.869 -16.178 1.00 30.42 H new ATOM 0 HG3 LYS A 15 18.045 5.801 -15.133 1.00 30.42 H new ATOM 0 HD2 LYS A 15 17.566 3.879 -16.462 1.00 53.13 H new ATOM 0 HD3 LYS A 15 16.197 4.643 -17.245 1.00 53.13 H new ATOM 0 HE2 LYS A 15 17.758 6.244 -18.390 1.00 3.31 H new ATOM 0 HE3 LYS A 15 19.121 5.452 -17.624 1.00 3.31 H new ATOM 0 HZ1 LYS A 15 18.759 4.615 -19.852 1.00 31.13 H new ATOM 0 HZ2 LYS A 15 18.495 3.381 -18.716 1.00 31.13 H new ATOM 0 HZ3 LYS A 15 17.175 4.149 -19.458 1.00 31.13 H new ATOM 268 N ALA A 16 15.630 8.832 -14.071 1.00 12.20 N ATOM 269 CA ALA A 16 16.004 10.217 -14.306 1.00 32.43 C ATOM 270 C ALA A 16 16.627 10.795 -13.034 1.00 21.34 C ATOM 271 O ALA A 16 17.781 11.220 -13.042 1.00 1.33 O ATOM 272 CB ALA A 16 14.776 11.006 -14.764 1.00 43.45 C ATOM 0 H ALA A 16 14.628 8.646 -14.123 1.00 12.20 H new ATOM 0 HA ALA A 16 16.749 10.285 -15.098 1.00 32.43 H new ATOM 0 HB1 ALA A 16 15.056 12.045 -14.940 1.00 43.45 H new ATOM 0 HB2 ALA A 16 14.388 10.573 -15.686 1.00 43.45 H new ATOM 0 HB3 ALA A 16 14.007 10.963 -13.992 1.00 43.45 H new ATOM 278 N GLU A 17 15.836 10.791 -11.971 1.00 11.21 N ATOM 279 CA GLU A 17 16.296 11.310 -10.694 1.00 13.01 C ATOM 280 C GLU A 17 17.755 10.918 -10.456 1.00 22.51 C ATOM 281 O GLU A 17 18.508 11.662 -9.830 1.00 13.23 O ATOM 282 CB GLU A 17 15.403 10.822 -9.551 1.00 4.43 C ATOM 283 CG GLU A 17 15.156 11.939 -8.534 1.00 20.51 C ATOM 284 CD GLU A 17 13.875 12.707 -8.865 1.00 2.45 C ATOM 285 OE1 GLU A 17 13.900 13.624 -9.699 1.00 63.14 O ATOM 286 OE2 GLU A 17 12.826 12.322 -8.220 1.00 42.11 O ATOM 0 H GLU A 17 14.880 10.437 -11.968 1.00 11.21 H new ATOM 0 HA GLU A 17 16.233 12.398 -10.722 1.00 13.01 H new ATOM 0 HB2 GLU A 17 14.451 10.473 -9.952 1.00 4.43 H new ATOM 0 HB3 GLU A 17 15.872 9.971 -9.056 1.00 4.43 H new ATOM 0 HG2 GLU A 17 15.082 11.514 -7.533 1.00 20.51 H new ATOM 0 HG3 GLU A 17 16.004 12.624 -8.527 1.00 20.51 H new ATOM 294 N SER A 18 18.111 9.749 -10.968 1.00 65.23 N ATOM 295 CA SER A 18 19.468 9.248 -10.819 1.00 55.54 C ATOM 296 C SER A 18 20.390 9.927 -11.834 1.00 1.43 C ATOM 297 O SER A 18 21.431 10.469 -11.466 1.00 24.01 O ATOM 298 CB SER A 18 19.516 7.729 -10.992 1.00 11.03 C ATOM 299 OG SER A 18 20.852 7.246 -11.097 1.00 45.01 O ATOM 0 H SER A 18 17.484 9.134 -11.486 1.00 65.23 H new ATOM 0 HA SER A 18 19.811 9.483 -9.811 1.00 55.54 H new ATOM 0 HB2 SER A 18 19.024 7.252 -10.145 1.00 11.03 H new ATOM 0 HB3 SER A 18 18.958 7.448 -11.885 1.00 11.03 H new ATOM 0 HG SER A 18 20.840 6.272 -11.205 1.00 45.01 H new ATOM 305 N GLU A 19 19.974 9.876 -13.091 1.00 24.03 N ATOM 306 CA GLU A 19 20.750 10.479 -14.161 1.00 5.21 C ATOM 307 C GLU A 19 21.218 11.878 -13.754 1.00 24.12 C ATOM 308 O GLU A 19 22.287 12.324 -14.168 1.00 25.52 O ATOM 309 CB GLU A 19 19.946 10.527 -15.462 1.00 3.05 C ATOM 310 CG GLU A 19 19.696 9.118 -16.004 1.00 11.35 C ATOM 311 CD GLU A 19 20.846 8.666 -16.906 1.00 75.21 C ATOM 312 OE1 GLU A 19 21.319 9.446 -17.745 1.00 41.32 O ATOM 313 OE2 GLU A 19 21.248 7.456 -16.712 1.00 35.55 O ATOM 0 H GLU A 19 19.109 9.426 -13.392 1.00 24.03 H new ATOM 0 HA GLU A 19 21.629 9.860 -14.339 1.00 5.21 H new ATOM 0 HB2 GLU A 19 18.994 11.028 -15.287 1.00 3.05 H new ATOM 0 HB3 GLU A 19 20.484 11.116 -16.205 1.00 3.05 H new ATOM 0 HG2 GLU A 19 19.584 8.420 -15.174 1.00 11.35 H new ATOM 0 HG3 GLU A 19 18.761 9.100 -16.564 1.00 11.35 H new ATOM 321 N ARG A 20 20.395 12.531 -12.948 1.00 13.43 N ATOM 322 CA ARG A 20 20.711 13.870 -12.480 1.00 51.42 C ATOM 323 C ARG A 20 21.698 13.806 -11.313 1.00 65.23 C ATOM 324 O ARG A 20 22.667 14.563 -11.272 1.00 54.43 O ATOM 325 CB ARG A 20 19.449 14.609 -12.031 1.00 13.13 C ATOM 326 CG ARG A 20 18.364 14.547 -13.108 1.00 61.02 C ATOM 327 CD ARG A 20 17.063 15.182 -12.614 1.00 0.34 C ATOM 328 NE ARG A 20 17.362 16.390 -11.812 1.00 41.03 N ATOM 329 CZ ARG A 20 17.580 17.614 -12.340 1.00 34.43 C ATOM 330 NH1 ARG A 20 17.533 17.802 -13.676 1.00 31.03 N ATOM 331 NH2 ARG A 20 17.839 18.623 -11.529 1.00 73.15 N ATOM 0 H ARG A 20 19.509 12.158 -12.607 1.00 13.43 H new ATOM 0 HA ARG A 20 21.161 14.413 -13.311 1.00 51.42 H new ATOM 0 HB2 ARG A 20 19.075 14.168 -11.107 1.00 13.13 H new ATOM 0 HB3 ARG A 20 19.691 15.649 -11.813 1.00 13.13 H new ATOM 0 HG2 ARG A 20 18.707 15.063 -14.005 1.00 61.02 H new ATOM 0 HG3 ARG A 20 18.183 13.509 -13.387 1.00 61.02 H new ATOM 0 HD2 ARG A 20 16.432 15.446 -13.463 1.00 0.34 H new ATOM 0 HD3 ARG A 20 16.504 14.465 -12.012 1.00 0.34 H new ATOM 0 HE ARG A 20 17.406 16.292 -10.798 1.00 41.03 H new ATOM 0 HH11 ARG A 20 17.332 17.017 -14.295 1.00 31.03 H new ATOM 0 HH12 ARG A 20 17.699 18.730 -14.067 1.00 31.03 H new ATOM 0 HH21 ARG A 20 17.872 18.471 -10.521 1.00 73.15 H new ATOM 0 HH22 ARG A 20 18.006 19.554 -11.911 1.00 73.15 H new ATOM 344 N ILE A 21 21.420 12.894 -10.393 1.00 55.04 N ATOM 345 CA ILE A 21 22.271 12.721 -9.229 1.00 63.31 C ATOM 346 C ILE A 21 23.680 12.334 -9.686 1.00 15.23 C ATOM 347 O ILE A 21 24.654 12.572 -8.974 1.00 31.24 O ATOM 348 CB ILE A 21 21.646 11.723 -8.252 1.00 3.23 C ATOM 349 CG1 ILE A 21 20.548 12.387 -7.418 1.00 44.10 C ATOM 350 CG2 ILE A 21 22.717 11.071 -7.374 1.00 52.04 C ATOM 351 CD1 ILE A 21 19.732 11.342 -6.654 1.00 43.15 C ATOM 0 H ILE A 21 20.617 12.267 -10.431 1.00 55.04 H new ATOM 0 HA ILE A 21 22.359 13.658 -8.679 1.00 63.31 H new ATOM 0 HB ILE A 21 21.175 10.928 -8.830 1.00 3.23 H new ATOM 0 HG12 ILE A 21 20.995 13.090 -6.715 1.00 44.10 H new ATOM 0 HG13 ILE A 21 19.890 12.963 -8.069 1.00 44.10 H new ATOM 0 HG21 ILE A 21 22.246 10.366 -6.689 1.00 52.04 H new ATOM 0 HG22 ILE A 21 23.432 10.542 -8.004 1.00 52.04 H new ATOM 0 HG23 ILE A 21 23.237 11.840 -6.803 1.00 52.04 H new ATOM 0 HD11 ILE A 21 18.959 11.840 -6.069 1.00 43.15 H new ATOM 0 HD12 ILE A 21 19.266 10.656 -7.361 1.00 43.15 H new ATOM 0 HD13 ILE A 21 20.389 10.785 -5.986 1.00 43.15 H new ATOM 363 N ALA A 22 23.742 11.745 -10.871 1.00 31.13 N ATOM 364 CA ALA A 22 25.015 11.323 -11.431 1.00 14.22 C ATOM 365 C ALA A 22 25.713 12.529 -12.063 1.00 22.32 C ATOM 366 O ALA A 22 26.933 12.660 -11.975 1.00 61.03 O ATOM 367 CB ALA A 22 24.781 10.192 -12.434 1.00 42.24 C ATOM 0 H ALA A 22 22.932 11.550 -11.459 1.00 31.13 H new ATOM 0 HA ALA A 22 25.669 10.935 -10.650 1.00 14.22 H new ATOM 0 HB1 ALA A 22 25.735 9.875 -12.854 1.00 42.24 H new ATOM 0 HB2 ALA A 22 24.309 9.349 -11.929 1.00 42.24 H new ATOM 0 HB3 ALA A 22 24.131 10.545 -13.235 1.00 42.24 H new ATOM 373 N ASP A 23 24.910 13.378 -12.685 1.00 52.55 N ATOM 374 CA ASP A 23 25.436 14.569 -13.332 1.00 33.20 C ATOM 375 C ASP A 23 26.147 15.436 -12.292 1.00 44.40 C ATOM 376 O ASP A 23 27.259 15.907 -12.527 1.00 64.20 O ATOM 377 CB ASP A 23 24.312 15.401 -13.952 1.00 74.23 C ATOM 378 CG ASP A 23 24.774 16.503 -14.907 1.00 62.03 C ATOM 379 OD1 ASP A 23 25.850 17.094 -14.728 1.00 33.51 O ATOM 380 OD2 ASP A 23 23.968 16.752 -15.883 1.00 45.15 O ATOM 0 H ASP A 23 23.899 13.266 -12.755 1.00 52.55 H new ATOM 0 HA ASP A 23 26.124 14.251 -14.116 1.00 33.20 H new ATOM 0 HB2 ASP A 23 23.640 14.733 -14.491 1.00 74.23 H new ATOM 0 HB3 ASP A 23 23.732 15.856 -13.149 1.00 74.23 H new ATOM 386 N ARG A 24 25.477 15.622 -11.164 1.00 41.24 N ATOM 387 CA ARG A 24 26.032 16.425 -10.088 1.00 14.03 C ATOM 388 C ARG A 24 27.035 15.604 -9.276 1.00 65.21 C ATOM 389 O ARG A 24 28.112 16.092 -8.937 1.00 1.32 O ATOM 390 CB ARG A 24 24.929 16.935 -9.157 1.00 64.11 C ATOM 391 CG ARG A 24 25.308 18.286 -8.548 1.00 0.43 C ATOM 392 CD ARG A 24 26.784 18.312 -8.144 1.00 34.41 C ATOM 393 NE ARG A 24 27.071 19.528 -7.352 1.00 13.33 N ATOM 394 CZ ARG A 24 28.273 19.809 -6.805 1.00 53.51 C ATOM 395 NH1 ARG A 24 29.311 18.961 -6.961 1.00 4.33 N ATOM 396 NH2 ARG A 24 28.417 20.926 -6.116 1.00 41.11 N ATOM 0 H ARG A 24 24.555 15.230 -10.972 1.00 41.24 H new ATOM 0 HA ARG A 24 26.537 17.280 -10.538 1.00 14.03 H new ATOM 0 HB2 ARG A 24 23.995 17.031 -9.711 1.00 64.11 H new ATOM 0 HB3 ARG A 24 24.755 16.210 -8.362 1.00 64.11 H new ATOM 0 HG2 ARG A 24 25.110 19.081 -9.267 1.00 0.43 H new ATOM 0 HG3 ARG A 24 24.685 18.483 -7.675 1.00 0.43 H new ATOM 0 HD2 ARG A 24 27.026 17.423 -7.561 1.00 34.41 H new ATOM 0 HD3 ARG A 24 27.413 18.291 -9.034 1.00 34.41 H new ATOM 0 HE ARG A 24 26.313 20.196 -7.210 1.00 13.33 H new ATOM 0 HH11 ARG A 24 29.191 18.101 -7.495 1.00 4.33 H new ATOM 0 HH12 ARG A 24 30.216 19.181 -6.545 1.00 4.33 H new ATOM 0 HH21 ARG A 24 27.627 21.561 -6.004 1.00 41.11 H new ATOM 0 HH22 ARG A 24 29.318 21.154 -5.696 1.00 41.11 H new ATOM 409 N PHE A 25 26.647 14.370 -8.988 1.00 41.32 N ATOM 410 CA PHE A 25 27.500 13.477 -8.223 1.00 33.42 C ATOM 411 C PHE A 25 27.588 12.101 -8.887 1.00 21.15 C ATOM 412 O PHE A 25 26.931 11.156 -8.454 1.00 31.52 O ATOM 413 CB PHE A 25 26.861 13.323 -6.841 1.00 54.12 C ATOM 414 CG PHE A 25 26.144 14.580 -6.344 1.00 11.20 C ATOM 415 CD1 PHE A 25 26.866 15.644 -5.900 1.00 72.14 C ATOM 416 CD2 PHE A 25 24.785 14.634 -6.346 1.00 31.33 C ATOM 417 CE1 PHE A 25 26.201 16.811 -5.439 1.00 33.40 C ATOM 418 CE2 PHE A 25 24.120 15.800 -5.884 1.00 52.32 C ATOM 419 CZ PHE A 25 24.842 16.864 -5.441 1.00 13.23 C ATOM 0 H PHE A 25 25.753 13.968 -9.271 1.00 41.32 H new ATOM 0 HA PHE A 25 28.508 13.887 -8.162 1.00 33.42 H new ATOM 0 HB2 PHE A 25 26.149 12.499 -6.871 1.00 54.12 H new ATOM 0 HB3 PHE A 25 27.634 13.050 -6.123 1.00 54.12 H new ATOM 0 HD1 PHE A 25 27.945 15.601 -5.898 1.00 72.14 H new ATOM 0 HD2 PHE A 25 24.212 13.790 -6.699 1.00 31.33 H new ATOM 0 HE1 PHE A 25 26.774 17.656 -5.087 1.00 33.40 H new ATOM 0 HE2 PHE A 25 23.041 15.842 -5.884 1.00 52.32 H new ATOM 0 HZ PHE A 25 24.336 17.751 -5.091 1.00 13.23 H new ATOM 429 N PRO A 26 28.428 12.031 -9.954 1.00 74.32 N ATOM 430 CA PRO A 26 28.610 10.786 -10.682 1.00 5.41 C ATOM 431 C PRO A 26 29.482 9.810 -9.889 1.00 14.23 C ATOM 432 O PRO A 26 29.748 8.699 -10.344 1.00 53.13 O ATOM 433 CB PRO A 26 29.231 11.194 -12.008 1.00 62.01 C ATOM 434 CG PRO A 26 29.800 12.587 -11.792 1.00 14.03 C ATOM 435 CD PRO A 26 29.222 13.130 -10.495 1.00 30.22 C ATOM 0 HA PRO A 26 27.674 10.251 -10.843 1.00 5.41 H new ATOM 0 HB2 PRO A 26 30.013 10.495 -12.305 1.00 62.01 H new ATOM 0 HB3 PRO A 26 28.486 11.196 -12.804 1.00 62.01 H new ATOM 0 HG2 PRO A 26 30.888 12.551 -11.740 1.00 14.03 H new ATOM 0 HG3 PRO A 26 29.542 13.238 -12.627 1.00 14.03 H new ATOM 0 HD2 PRO A 26 30.011 13.426 -9.804 1.00 30.22 H new ATOM 0 HD3 PRO A 26 28.607 14.012 -10.674 1.00 30.22 H new ATOM 443 N ASN A 27 29.902 10.261 -8.716 1.00 34.44 N ATOM 444 CA ASN A 27 30.737 9.441 -7.855 1.00 21.33 C ATOM 445 C ASN A 27 29.917 8.974 -6.650 1.00 4.31 C ATOM 446 O ASN A 27 30.477 8.546 -5.642 1.00 63.10 O ATOM 447 CB ASN A 27 31.936 10.235 -7.332 1.00 73.11 C ATOM 448 CG ASN A 27 32.470 11.189 -8.402 1.00 54.40 C ATOM 449 OD1 ASN A 27 32.266 12.391 -8.356 1.00 53.41 O ATOM 450 ND2 ASN A 27 33.163 10.589 -9.365 1.00 51.12 N ATOM 0 H ASN A 27 29.680 11.183 -8.342 1.00 34.44 H new ATOM 0 HA ASN A 27 31.093 8.593 -8.440 1.00 21.33 H new ATOM 0 HB2 ASN A 27 31.644 10.801 -6.448 1.00 73.11 H new ATOM 0 HB3 ASN A 27 32.725 9.549 -7.025 1.00 73.11 H new ATOM 0 HD21 ASN A 27 33.561 11.140 -10.126 1.00 51.12 H new ATOM 0 HD22 ASN A 27 33.297 9.578 -9.343 1.00 51.12 H new ATOM 457 N ARG A 28 28.604 9.073 -6.794 1.00 41.50 N ATOM 458 CA ARG A 28 27.702 8.667 -5.730 1.00 53.11 C ATOM 459 C ARG A 28 26.897 7.438 -6.157 1.00 63.40 C ATOM 460 O ARG A 28 27.092 6.914 -7.253 1.00 21.22 O ATOM 461 CB ARG A 28 26.737 9.797 -5.364 1.00 43.13 C ATOM 462 CG ARG A 28 27.469 10.930 -4.641 1.00 31.41 C ATOM 463 CD ARG A 28 28.003 10.460 -3.286 1.00 62.03 C ATOM 464 NE ARG A 28 28.495 11.618 -2.507 1.00 50.11 N ATOM 465 CZ ARG A 28 28.565 11.649 -1.159 1.00 64.53 C ATOM 466 NH1 ARG A 28 28.175 10.582 -0.429 1.00 5.45 N ATOM 467 NH2 ARG A 28 29.021 12.736 -0.567 1.00 1.44 N ATOM 0 H ARG A 28 28.143 9.429 -7.632 1.00 41.50 H new ATOM 0 HA ARG A 28 28.308 8.424 -4.857 1.00 53.11 H new ATOM 0 HB2 ARG A 28 26.264 10.183 -6.267 1.00 43.13 H new ATOM 0 HB3 ARG A 28 25.941 9.409 -4.728 1.00 43.13 H new ATOM 0 HG2 ARG A 28 28.294 11.286 -5.257 1.00 31.41 H new ATOM 0 HG3 ARG A 28 26.792 11.772 -4.497 1.00 31.41 H new ATOM 0 HD2 ARG A 28 27.216 9.948 -2.733 1.00 62.03 H new ATOM 0 HD3 ARG A 28 28.809 9.741 -3.433 1.00 62.03 H new ATOM 0 HE ARG A 28 28.800 12.445 -3.021 1.00 50.11 H new ATOM 0 HH11 ARG A 28 27.825 9.745 -0.896 1.00 5.45 H new ATOM 0 HH12 ARG A 28 28.231 10.613 0.589 1.00 5.45 H new ATOM 0 HH21 ARG A 28 29.314 13.537 -1.127 1.00 1.44 H new ATOM 0 HH22 ARG A 28 29.080 12.776 0.450 1.00 1.44 H new ATOM 480 N ILE A 29 26.010 7.013 -5.269 1.00 64.22 N ATOM 481 CA ILE A 29 25.176 5.855 -5.540 1.00 73.34 C ATOM 482 C ILE A 29 23.831 6.023 -4.830 1.00 51.13 C ATOM 483 O ILE A 29 23.694 5.668 -3.661 1.00 35.41 O ATOM 484 CB ILE A 29 25.911 4.565 -5.168 1.00 14.51 C ATOM 485 CG1 ILE A 29 27.337 4.568 -5.721 1.00 41.13 C ATOM 486 CG2 ILE A 29 25.122 3.335 -5.620 1.00 64.35 C ATOM 487 CD1 ILE A 29 28.053 3.255 -5.398 1.00 51.00 C ATOM 0 H ILE A 29 25.851 7.450 -4.361 1.00 64.22 H new ATOM 0 HA ILE A 29 24.967 5.778 -6.607 1.00 73.34 H new ATOM 0 HB ILE A 29 25.988 4.516 -4.082 1.00 14.51 H new ATOM 0 HG12 ILE A 29 27.312 4.717 -6.801 1.00 41.13 H new ATOM 0 HG13 ILE A 29 27.894 5.404 -5.297 1.00 41.13 H new ATOM 0 HG21 ILE A 29 25.666 2.432 -5.344 1.00 64.35 H new ATOM 0 HG22 ILE A 29 24.145 3.332 -5.137 1.00 64.35 H new ATOM 0 HG23 ILE A 29 24.992 3.363 -6.702 1.00 64.35 H new ATOM 0 HD11 ILE A 29 29.065 3.283 -5.802 1.00 51.00 H new ATOM 0 HD12 ILE A 29 28.098 3.121 -4.317 1.00 51.00 H new ATOM 0 HD13 ILE A 29 27.507 2.424 -5.844 1.00 51.00 H new ATOM 499 N PRO A 30 22.847 6.580 -5.587 1.00 24.13 N ATOM 500 CA PRO A 30 21.518 6.800 -5.042 1.00 63.13 C ATOM 501 C PRO A 30 20.743 5.485 -4.940 1.00 60.21 C ATOM 502 O PRO A 30 20.162 5.025 -5.922 1.00 23.41 O ATOM 503 CB PRO A 30 20.868 7.801 -5.983 1.00 44.13 C ATOM 504 CG PRO A 30 21.678 7.751 -7.269 1.00 11.01 C ATOM 505 CD PRO A 30 22.974 7.013 -6.975 1.00 51.22 C ATOM 0 HA PRO A 30 21.540 7.187 -4.023 1.00 63.13 H new ATOM 0 HB2 PRO A 30 19.825 7.543 -6.168 1.00 44.13 H new ATOM 0 HB3 PRO A 30 20.877 8.803 -5.554 1.00 44.13 H new ATOM 0 HG2 PRO A 30 21.118 7.242 -8.053 1.00 11.01 H new ATOM 0 HG3 PRO A 30 21.886 8.759 -7.629 1.00 11.01 H new ATOM 0 HD2 PRO A 30 23.106 6.163 -7.644 1.00 51.22 H new ATOM 0 HD3 PRO A 30 23.839 7.663 -7.110 1.00 51.22 H new ATOM 513 N VAL A 31 20.759 4.917 -3.743 1.00 52.11 N ATOM 514 CA VAL A 31 20.064 3.664 -3.500 1.00 3.12 C ATOM 515 C VAL A 31 18.673 3.959 -2.936 1.00 32.52 C ATOM 516 O VAL A 31 18.539 4.678 -1.947 1.00 43.01 O ATOM 517 CB VAL A 31 20.903 2.770 -2.585 1.00 23.21 C ATOM 518 CG1 VAL A 31 20.018 1.787 -1.817 1.00 34.23 C ATOM 519 CG2 VAL A 31 21.982 2.031 -3.380 1.00 32.34 C ATOM 0 H VAL A 31 21.242 5.301 -2.931 1.00 52.11 H new ATOM 0 HA VAL A 31 19.927 3.115 -4.432 1.00 3.12 H new ATOM 0 HB VAL A 31 21.402 3.410 -1.857 1.00 23.21 H new ATOM 0 HG11 VAL A 31 20.639 1.164 -1.174 1.00 34.23 H new ATOM 0 HG12 VAL A 31 19.305 2.340 -1.206 1.00 34.23 H new ATOM 0 HG13 VAL A 31 19.478 1.156 -2.523 1.00 34.23 H new ATOM 0 HG21 VAL A 31 22.564 1.403 -2.706 1.00 32.34 H new ATOM 0 HG22 VAL A 31 21.511 1.408 -4.141 1.00 32.34 H new ATOM 0 HG23 VAL A 31 22.640 2.755 -3.860 1.00 32.34 H new ATOM 529 N ILE A 32 17.672 3.387 -3.589 1.00 14.12 N ATOM 530 CA ILE A 32 16.295 3.579 -3.165 1.00 1.22 C ATOM 531 C ILE A 32 15.852 2.379 -2.326 1.00 22.12 C ATOM 532 O ILE A 32 15.364 1.387 -2.864 1.00 73.25 O ATOM 533 CB ILE A 32 15.396 3.851 -4.372 1.00 55.12 C ATOM 534 CG1 ILE A 32 15.490 5.315 -4.808 1.00 23.30 C ATOM 535 CG2 ILE A 32 13.953 3.430 -4.087 1.00 15.35 C ATOM 536 CD1 ILE A 32 14.567 6.198 -3.966 1.00 43.23 C ATOM 0 H ILE A 32 17.787 2.791 -4.408 1.00 14.12 H new ATOM 0 HA ILE A 32 16.212 4.461 -2.530 1.00 1.22 H new ATOM 0 HB ILE A 32 15.750 3.244 -5.205 1.00 55.12 H new ATOM 0 HG12 ILE A 32 16.519 5.662 -4.711 1.00 23.30 H new ATOM 0 HG13 ILE A 32 15.222 5.403 -5.861 1.00 23.30 H new ATOM 0 HG21 ILE A 32 13.335 3.634 -4.961 1.00 15.35 H new ATOM 0 HG22 ILE A 32 13.923 2.364 -3.862 1.00 15.35 H new ATOM 0 HG23 ILE A 32 13.572 3.992 -3.234 1.00 15.35 H new ATOM 0 HD11 ILE A 32 14.653 7.233 -4.296 1.00 43.23 H new ATOM 0 HD12 ILE A 32 13.536 5.864 -4.084 1.00 43.23 H new ATOM 0 HD13 ILE A 32 14.853 6.127 -2.917 1.00 43.23 H new ATOM 548 N CYS A 33 16.039 2.509 -1.021 1.00 31.45 N ATOM 549 CA CYS A 33 15.665 1.447 -0.102 1.00 32.12 C ATOM 550 C CYS A 33 14.257 1.738 0.422 1.00 40.54 C ATOM 551 O CYS A 33 13.809 2.884 0.403 1.00 72.23 O ATOM 552 CB CYS A 33 16.678 1.300 1.036 1.00 55.14 C ATOM 553 SG CYS A 33 16.269 -0.166 2.052 1.00 41.11 S ATOM 0 H CYS A 33 16.445 3.333 -0.578 1.00 31.45 H new ATOM 0 HA CYS A 33 15.666 0.492 -0.627 1.00 32.12 H new ATOM 0 HB2 CYS A 33 17.684 1.201 0.628 1.00 55.14 H new ATOM 0 HB3 CYS A 33 16.673 2.196 1.657 1.00 55.14 H new ATOM 0 HG CYS A 33 16.044 0.204 3.278 1.00 41.11 H new ATOM 559 N GLU A 34 13.599 0.682 0.876 1.00 12.44 N ATOM 560 CA GLU A 34 12.251 0.811 1.404 1.00 20.31 C ATOM 561 C GLU A 34 12.130 0.068 2.736 1.00 13.54 C ATOM 562 O GLU A 34 13.039 -0.661 3.130 1.00 74.14 O ATOM 563 CB GLU A 34 11.217 0.302 0.397 1.00 3.52 C ATOM 564 CG GLU A 34 11.812 -0.789 -0.495 1.00 52.14 C ATOM 565 CD GLU A 34 10.730 -1.764 -0.964 1.00 14.21 C ATOM 566 OE1 GLU A 34 9.758 -2.008 -0.234 1.00 35.50 O ATOM 567 OE2 GLU A 34 10.924 -2.274 -2.133 1.00 3.23 O ATOM 0 H GLU A 34 13.974 -0.267 0.889 1.00 12.44 H new ATOM 0 HA GLU A 34 12.050 1.868 1.580 1.00 20.31 H new ATOM 0 HB2 GLU A 34 10.349 -0.090 0.928 1.00 3.52 H new ATOM 0 HB3 GLU A 34 10.866 1.130 -0.219 1.00 3.52 H new ATOM 0 HG2 GLU A 34 12.296 -0.334 -1.359 1.00 52.14 H new ATOM 0 HG3 GLU A 34 12.583 -1.331 0.053 1.00 52.14 H new ATOM 575 N LYS A 35 10.999 0.280 3.394 1.00 4.25 N ATOM 576 CA LYS A 35 10.747 -0.360 4.674 1.00 5.25 C ATOM 577 C LYS A 35 9.837 -1.571 4.464 1.00 65.54 C ATOM 578 O LYS A 35 8.837 -1.485 3.753 1.00 10.23 O ATOM 579 CB LYS A 35 10.199 0.653 5.681 1.00 1.43 C ATOM 580 CG LYS A 35 9.625 -0.052 6.912 1.00 74.15 C ATOM 581 CD LYS A 35 8.145 -0.385 6.711 1.00 31.43 C ATOM 582 CE LYS A 35 7.370 -0.252 8.024 1.00 24.01 C ATOM 583 NZ LYS A 35 6.119 -1.041 7.970 1.00 3.02 N ATOM 0 H LYS A 35 10.247 0.886 3.065 1.00 4.25 H new ATOM 0 HA LYS A 35 11.678 -0.731 5.104 1.00 5.25 H new ATOM 0 HB2 LYS A 35 10.993 1.335 5.985 1.00 1.43 H new ATOM 0 HB3 LYS A 35 9.424 1.257 5.209 1.00 1.43 H new ATOM 0 HG2 LYS A 35 10.185 -0.967 7.106 1.00 74.15 H new ATOM 0 HG3 LYS A 35 9.743 0.585 7.789 1.00 74.15 H new ATOM 0 HD2 LYS A 35 7.717 0.282 5.963 1.00 31.43 H new ATOM 0 HD3 LYS A 35 8.046 -1.400 6.327 1.00 31.43 H new ATOM 0 HE2 LYS A 35 7.988 -0.595 8.854 1.00 24.01 H new ATOM 0 HE3 LYS A 35 7.138 0.796 8.211 1.00 24.01 H new ATOM 0 HZ1 LYS A 35 5.691 -1.079 8.917 1.00 3.02 H new ATOM 0 HZ2 LYS A 35 5.454 -0.593 7.308 1.00 3.02 H new ATOM 0 HZ3 LYS A 35 6.331 -2.007 7.647 1.00 3.02 H new ATOM 596 N ALA A 36 10.217 -2.673 5.094 1.00 63.44 N ATOM 597 CA ALA A 36 9.448 -3.901 4.984 1.00 60.21 C ATOM 598 C ALA A 36 8.069 -3.692 5.613 1.00 50.24 C ATOM 599 O ALA A 36 7.953 -3.540 6.828 1.00 64.12 O ATOM 600 CB ALA A 36 10.220 -5.048 5.640 1.00 51.21 C ATOM 0 H ALA A 36 11.047 -2.741 5.682 1.00 63.44 H new ATOM 0 HA ALA A 36 9.297 -4.166 3.938 1.00 60.21 H new ATOM 0 HB1 ALA A 36 9.643 -5.969 5.557 1.00 51.21 H new ATOM 0 HB2 ALA A 36 11.179 -5.175 5.138 1.00 51.21 H new ATOM 0 HB3 ALA A 36 10.388 -4.818 6.692 1.00 51.21 H new ATOM 606 N GLU A 37 7.058 -3.690 4.757 1.00 73.14 N ATOM 607 CA GLU A 37 5.691 -3.502 5.213 1.00 2.30 C ATOM 608 C GLU A 37 5.334 -4.551 6.268 1.00 63.45 C ATOM 609 O GLU A 37 4.610 -4.260 7.218 1.00 74.32 O ATOM 610 CB GLU A 37 4.710 -3.548 4.040 1.00 41.50 C ATOM 611 CG GLU A 37 4.609 -4.962 3.465 1.00 51.44 C ATOM 612 CD GLU A 37 3.671 -4.996 2.256 1.00 32.14 C ATOM 613 OE1 GLU A 37 2.445 -5.077 2.425 1.00 0.03 O ATOM 614 OE2 GLU A 37 4.257 -4.935 1.109 1.00 42.50 O ATOM 0 H GLU A 37 7.158 -3.816 3.750 1.00 73.14 H new ATOM 0 HA GLU A 37 5.614 -2.515 5.670 1.00 2.30 H new ATOM 0 HB2 GLU A 37 3.726 -3.215 4.371 1.00 41.50 H new ATOM 0 HB3 GLU A 37 5.035 -2.858 3.262 1.00 41.50 H new ATOM 0 HG2 GLU A 37 5.599 -5.311 3.172 1.00 51.44 H new ATOM 0 HG3 GLU A 37 4.245 -5.645 4.232 1.00 51.44 H new ATOM 622 N LYS A 38 5.860 -5.750 6.064 1.00 31.53 N ATOM 623 CA LYS A 38 5.606 -6.845 6.986 1.00 52.13 C ATOM 624 C LYS A 38 6.296 -6.553 8.320 1.00 60.43 C ATOM 625 O LYS A 38 5.749 -6.844 9.382 1.00 11.23 O ATOM 626 CB LYS A 38 6.017 -8.179 6.359 1.00 14.03 C ATOM 627 CG LYS A 38 5.471 -8.308 4.936 1.00 54.42 C ATOM 628 CD LYS A 38 5.651 -9.732 4.406 1.00 13.40 C ATOM 629 CE LYS A 38 5.833 -9.732 2.887 1.00 64.40 C ATOM 630 NZ LYS A 38 7.224 -9.372 2.532 1.00 24.51 N ATOM 0 H LYS A 38 6.461 -5.987 5.274 1.00 31.53 H new ATOM 0 HA LYS A 38 4.539 -6.931 7.191 1.00 52.13 H new ATOM 0 HB2 LYS A 38 7.104 -8.258 6.344 1.00 14.03 H new ATOM 0 HB3 LYS A 38 5.646 -9.002 6.970 1.00 14.03 H new ATOM 0 HG2 LYS A 38 4.414 -8.042 4.923 1.00 54.42 H new ATOM 0 HG3 LYS A 38 5.985 -7.605 4.281 1.00 54.42 H new ATOM 0 HD2 LYS A 38 6.517 -10.193 4.880 1.00 13.40 H new ATOM 0 HD3 LYS A 38 4.783 -10.335 4.672 1.00 13.40 H new ATOM 0 HE2 LYS A 38 5.592 -10.716 2.486 1.00 64.40 H new ATOM 0 HE3 LYS A 38 5.140 -9.024 2.432 1.00 64.40 H new ATOM 0 HZ1 LYS A 38 7.331 -9.377 1.497 1.00 24.51 H new ATOM 0 HZ2 LYS A 38 7.441 -8.423 2.898 1.00 24.51 H new ATOM 0 HZ3 LYS A 38 7.879 -10.063 2.951 1.00 24.51 H new ATOM 643 N SER A 39 7.488 -5.983 8.221 1.00 53.24 N ATOM 644 CA SER A 39 8.258 -5.649 9.406 1.00 4.22 C ATOM 645 C SER A 39 7.376 -4.906 10.412 1.00 61.41 C ATOM 646 O SER A 39 6.219 -4.605 10.124 1.00 33.42 O ATOM 647 CB SER A 39 9.482 -4.803 9.048 1.00 52.14 C ATOM 648 OG SER A 39 9.171 -3.414 8.986 1.00 54.44 O ATOM 0 H SER A 39 7.939 -5.744 7.338 1.00 53.24 H new ATOM 0 HA SER A 39 8.610 -6.577 9.857 1.00 4.22 H new ATOM 0 HB2 SER A 39 10.265 -4.967 9.789 1.00 52.14 H new ATOM 0 HB3 SER A 39 9.879 -5.129 8.087 1.00 52.14 H new ATOM 0 HG SER A 39 8.441 -3.270 8.348 1.00 54.44 H new ATOM 654 N ASP A 40 7.957 -4.633 11.571 1.00 52.41 N ATOM 655 CA ASP A 40 7.238 -3.931 12.621 1.00 72.21 C ATOM 656 C ASP A 40 8.008 -2.665 13.002 1.00 33.21 C ATOM 657 O ASP A 40 7.834 -2.135 14.098 1.00 13.13 O ATOM 658 CB ASP A 40 7.107 -4.800 13.873 1.00 14.25 C ATOM 659 CG ASP A 40 6.023 -5.878 13.802 1.00 23.01 C ATOM 660 OD1 ASP A 40 6.072 -6.881 14.529 1.00 31.33 O ATOM 661 OD2 ASP A 40 5.087 -5.654 12.944 1.00 54.30 O ATOM 0 H ASP A 40 8.917 -4.885 11.806 1.00 52.41 H new ATOM 0 HA ASP A 40 6.244 -3.687 12.245 1.00 72.21 H new ATOM 0 HB2 ASP A 40 8.066 -5.282 14.064 1.00 14.25 H new ATOM 0 HB3 ASP A 40 6.900 -4.153 14.726 1.00 14.25 H new ATOM 667 N ILE A 41 8.843 -2.217 12.076 1.00 74.31 N ATOM 668 CA ILE A 41 9.640 -1.024 12.301 1.00 13.51 C ATOM 669 C ILE A 41 8.841 0.207 11.866 1.00 3.14 C ATOM 670 O ILE A 41 7.957 0.109 11.017 1.00 13.54 O ATOM 671 CB ILE A 41 11.000 -1.149 11.612 1.00 73.44 C ATOM 672 CG1 ILE A 41 10.958 -0.552 10.204 1.00 50.14 C ATOM 673 CG2 ILE A 41 11.478 -2.603 11.604 1.00 51.24 C ATOM 674 CD1 ILE A 41 12.125 -1.062 9.357 1.00 64.34 C ATOM 0 H ILE A 41 8.985 -2.659 11.168 1.00 74.31 H new ATOM 0 HA ILE A 41 9.857 -0.906 13.363 1.00 13.51 H new ATOM 0 HB ILE A 41 11.728 -0.573 12.184 1.00 73.44 H new ATOM 0 HG12 ILE A 41 10.015 -0.811 9.723 1.00 50.14 H new ATOM 0 HG13 ILE A 41 10.996 0.536 10.265 1.00 50.14 H new ATOM 0 HG21 ILE A 41 12.447 -2.665 11.109 1.00 51.24 H new ATOM 0 HG22 ILE A 41 11.571 -2.961 12.629 1.00 51.24 H new ATOM 0 HG23 ILE A 41 10.757 -3.220 11.068 1.00 51.24 H new ATOM 0 HD11 ILE A 41 12.071 -0.622 8.361 1.00 64.34 H new ATOM 0 HD12 ILE A 41 13.067 -0.780 9.828 1.00 64.34 H new ATOM 0 HD13 ILE A 41 12.070 -2.148 9.278 1.00 64.34 H new ATOM 686 N PRO A 42 9.191 1.367 12.484 1.00 4.01 N ATOM 687 CA PRO A 42 8.518 2.615 12.170 1.00 55.32 C ATOM 688 C PRO A 42 8.974 3.159 10.814 1.00 22.24 C ATOM 689 O PRO A 42 10.168 3.173 10.518 1.00 52.44 O ATOM 690 CB PRO A 42 8.851 3.544 13.325 1.00 3.44 C ATOM 691 CG PRO A 42 10.070 2.942 14.006 1.00 51.21 C ATOM 692 CD PRO A 42 10.234 1.520 13.494 1.00 2.44 C ATOM 0 HA PRO A 42 7.439 2.497 12.070 1.00 55.32 H new ATOM 0 HB2 PRO A 42 9.061 4.552 12.967 1.00 3.44 H new ATOM 0 HB3 PRO A 42 8.014 3.620 14.019 1.00 3.44 H new ATOM 0 HG2 PRO A 42 10.960 3.532 13.787 1.00 51.21 H new ATOM 0 HG3 PRO A 42 9.944 2.946 15.089 1.00 51.21 H new ATOM 0 HD2 PRO A 42 11.225 1.365 13.067 1.00 2.44 H new ATOM 0 HD3 PRO A 42 10.116 0.794 14.298 1.00 2.44 H new ATOM 700 N GLU A 43 8.000 3.593 10.028 1.00 21.31 N ATOM 701 CA GLU A 43 8.287 4.136 8.711 1.00 30.04 C ATOM 702 C GLU A 43 9.292 5.285 8.818 1.00 31.35 C ATOM 703 O GLU A 43 9.512 5.822 9.903 1.00 43.23 O ATOM 704 CB GLU A 43 7.004 4.593 8.015 1.00 14.34 C ATOM 705 CG GLU A 43 7.147 4.514 6.494 1.00 14.31 C ATOM 706 CD GLU A 43 5.785 4.315 5.825 1.00 2.10 C ATOM 707 OE1 GLU A 43 5.414 3.177 5.502 1.00 34.13 O ATOM 708 OE2 GLU A 43 5.103 5.395 5.644 1.00 45.22 O ATOM 0 H GLU A 43 7.011 3.580 10.278 1.00 21.31 H new ATOM 0 HA GLU A 43 8.730 3.347 8.103 1.00 30.04 H new ATOM 0 HB2 GLU A 43 6.169 3.971 8.338 1.00 14.34 H new ATOM 0 HB3 GLU A 43 6.771 5.616 8.309 1.00 14.34 H new ATOM 0 HG2 GLU A 43 7.610 5.428 6.121 1.00 14.31 H new ATOM 0 HG3 GLU A 43 7.810 3.690 6.230 1.00 14.31 H new ATOM 716 N ILE A 44 9.874 5.627 7.679 1.00 44.21 N ATOM 717 CA ILE A 44 10.851 6.702 7.631 1.00 13.40 C ATOM 718 C ILE A 44 10.294 7.854 6.791 1.00 62.30 C ATOM 719 O ILE A 44 9.298 7.689 6.088 1.00 1.23 O ATOM 720 CB ILE A 44 12.201 6.178 7.138 1.00 1.33 C ATOM 721 CG1 ILE A 44 12.056 5.475 5.787 1.00 24.23 C ATOM 722 CG2 ILE A 44 12.855 5.276 8.187 1.00 10.41 C ATOM 723 CD1 ILE A 44 13.415 4.997 5.270 1.00 75.31 C ATOM 0 H ILE A 44 9.688 5.179 6.782 1.00 44.21 H new ATOM 0 HA ILE A 44 11.034 7.095 8.631 1.00 13.40 H new ATOM 0 HB ILE A 44 12.864 7.030 6.988 1.00 1.33 H new ATOM 0 HG12 ILE A 44 11.381 4.625 5.886 1.00 24.23 H new ATOM 0 HG13 ILE A 44 11.607 6.157 5.064 1.00 24.23 H new ATOM 0 HG21 ILE A 44 13.813 4.917 7.812 1.00 10.41 H new ATOM 0 HG22 ILE A 44 13.014 5.842 9.105 1.00 10.41 H new ATOM 0 HG23 ILE A 44 12.204 4.426 8.393 1.00 10.41 H new ATOM 0 HD11 ILE A 44 13.284 4.501 4.308 1.00 75.31 H new ATOM 0 HD12 ILE A 44 14.080 5.852 5.150 1.00 75.31 H new ATOM 0 HD13 ILE A 44 13.850 4.297 5.983 1.00 75.31 H new ATOM 735 N ASP A 45 10.962 8.994 6.891 1.00 32.33 N ATOM 736 CA ASP A 45 10.546 10.172 6.149 1.00 5.05 C ATOM 737 C ASP A 45 10.285 9.786 4.692 1.00 33.03 C ATOM 738 O ASP A 45 9.181 9.977 4.184 1.00 0.53 O ATOM 739 CB ASP A 45 11.636 11.246 6.166 1.00 64.43 C ATOM 740 CG ASP A 45 11.135 12.679 5.982 1.00 14.35 C ATOM 741 OD1 ASP A 45 11.780 13.643 6.422 1.00 60.25 O ATOM 742 OD2 ASP A 45 10.016 12.789 5.350 1.00 35.42 O ATOM 0 H ASP A 45 11.788 9.127 7.474 1.00 32.33 H new ATOM 0 HA ASP A 45 9.644 10.565 6.618 1.00 5.05 H new ATOM 0 HB2 ASP A 45 12.172 11.183 7.113 1.00 64.43 H new ATOM 0 HB3 ASP A 45 12.355 11.025 5.378 1.00 64.43 H new ATOM 748 N LYS A 46 11.319 9.249 4.061 1.00 55.21 N ATOM 749 CA LYS A 46 11.214 8.835 2.672 1.00 22.42 C ATOM 750 C LYS A 46 12.335 7.843 2.355 1.00 23.21 C ATOM 751 O LYS A 46 13.000 7.342 3.260 1.00 22.35 O ATOM 752 CB LYS A 46 11.193 10.054 1.749 1.00 52.40 C ATOM 753 CG LYS A 46 12.595 10.646 1.589 1.00 70.51 C ATOM 754 CD LYS A 46 13.128 11.162 2.927 1.00 41.34 C ATOM 755 CE LYS A 46 14.326 12.091 2.718 1.00 62.35 C ATOM 756 NZ LYS A 46 13.970 13.199 1.804 1.00 53.11 N ATOM 0 H LYS A 46 12.233 9.091 4.486 1.00 55.21 H new ATOM 0 HA LYS A 46 10.270 8.318 2.499 1.00 22.42 H new ATOM 0 HB2 LYS A 46 10.802 9.768 0.773 1.00 52.40 H new ATOM 0 HB3 LYS A 46 10.520 10.809 2.154 1.00 52.40 H new ATOM 0 HG2 LYS A 46 13.271 9.888 1.192 1.00 70.51 H new ATOM 0 HG3 LYS A 46 12.569 11.461 0.865 1.00 70.51 H new ATOM 0 HD2 LYS A 46 12.338 11.695 3.456 1.00 41.34 H new ATOM 0 HD3 LYS A 46 13.421 10.321 3.555 1.00 41.34 H new ATOM 0 HE2 LYS A 46 14.653 12.494 3.677 1.00 62.35 H new ATOM 0 HE3 LYS A 46 15.163 11.527 2.307 1.00 62.35 H new ATOM 0 HZ1 LYS A 46 14.426 14.076 2.127 1.00 53.11 H new ATOM 0 HZ2 LYS A 46 14.295 12.974 0.842 1.00 53.11 H new ATOM 0 HZ3 LYS A 46 12.938 13.327 1.799 1.00 53.11 H new ATOM 769 N ARG A 47 12.511 7.589 1.067 1.00 55.25 N ATOM 770 CA ARG A 47 13.540 6.666 0.619 1.00 54.34 C ATOM 771 C ARG A 47 14.542 7.387 -0.285 1.00 3.12 C ATOM 772 O ARG A 47 14.267 7.621 -1.461 1.00 23.13 O ATOM 773 CB ARG A 47 12.929 5.490 -0.145 1.00 65.53 C ATOM 774 CG ARG A 47 11.735 5.943 -0.987 1.00 34.52 C ATOM 775 CD ARG A 47 11.277 4.831 -1.933 1.00 64.51 C ATOM 776 NE ARG A 47 10.366 3.905 -1.224 1.00 1.14 N ATOM 777 CZ ARG A 47 9.129 4.239 -0.798 1.00 60.13 C ATOM 778 NH1 ARG A 47 8.645 5.481 -1.008 1.00 15.41 N ATOM 779 NH2 ARG A 47 8.400 3.332 -0.174 1.00 43.24 N ATOM 0 H ARG A 47 11.958 8.007 0.319 1.00 55.25 H new ATOM 0 HA ARG A 47 14.052 6.284 1.503 1.00 54.34 H new ATOM 0 HB2 ARG A 47 13.683 5.040 -0.790 1.00 65.53 H new ATOM 0 HB3 ARG A 47 12.611 4.721 0.559 1.00 65.53 H new ATOM 0 HG2 ARG A 47 10.912 6.230 -0.332 1.00 34.52 H new ATOM 0 HG3 ARG A 47 12.007 6.827 -1.564 1.00 34.52 H new ATOM 0 HD2 ARG A 47 10.770 5.263 -2.796 1.00 64.51 H new ATOM 0 HD3 ARG A 47 12.141 4.285 -2.311 1.00 64.51 H new ATOM 0 HE ARG A 47 10.693 2.955 -1.046 1.00 1.14 H new ATOM 0 HH11 ARG A 47 9.215 6.175 -1.492 1.00 15.41 H new ATOM 0 HH12 ARG A 47 7.710 5.725 -0.683 1.00 15.41 H new ATOM 0 HH21 ARG A 47 8.773 2.395 -0.020 1.00 43.24 H new ATOM 0 HH22 ARG A 47 7.464 3.568 0.154 1.00 43.24 H new ATOM 792 N LYS A 48 15.684 7.719 0.299 1.00 2.31 N ATOM 793 CA LYS A 48 16.729 8.409 -0.438 1.00 62.35 C ATOM 794 C LYS A 48 18.068 8.209 0.275 1.00 72.31 C ATOM 795 O LYS A 48 18.336 8.850 1.289 1.00 5.25 O ATOM 796 CB LYS A 48 16.357 9.878 -0.648 1.00 22.04 C ATOM 797 CG LYS A 48 17.383 10.582 -1.538 1.00 70.24 C ATOM 798 CD LYS A 48 17.345 12.097 -1.327 1.00 22.42 C ATOM 799 CE LYS A 48 18.099 12.492 -0.055 1.00 63.55 C ATOM 800 NZ LYS A 48 19.553 12.275 -0.227 1.00 44.41 N ATOM 0 H LYS A 48 15.909 7.523 1.274 1.00 2.31 H new ATOM 0 HA LYS A 48 16.833 7.985 -1.437 1.00 62.35 H new ATOM 0 HB2 LYS A 48 15.369 9.945 -1.103 1.00 22.04 H new ATOM 0 HB3 LYS A 48 16.299 10.383 0.316 1.00 22.04 H new ATOM 0 HG2 LYS A 48 18.381 10.205 -1.316 1.00 70.24 H new ATOM 0 HG3 LYS A 48 17.181 10.352 -2.584 1.00 70.24 H new ATOM 0 HD2 LYS A 48 17.788 12.599 -2.187 1.00 22.42 H new ATOM 0 HD3 LYS A 48 16.310 12.433 -1.260 1.00 22.42 H new ATOM 0 HE2 LYS A 48 17.907 13.539 0.179 1.00 63.55 H new ATOM 0 HE3 LYS A 48 17.735 11.905 0.788 1.00 63.55 H new ATOM 0 HZ1 LYS A 48 20.075 12.867 0.451 1.00 44.41 H new ATOM 0 HZ2 LYS A 48 19.777 11.274 -0.057 1.00 44.41 H new ATOM 0 HZ3 LYS A 48 19.830 12.532 -1.196 1.00 44.41 H new ATOM 813 N TYR A 49 18.872 7.316 -0.284 1.00 1.34 N ATOM 814 CA TYR A 49 20.176 7.024 0.287 1.00 63.25 C ATOM 815 C TYR A 49 21.285 7.229 -0.748 1.00 22.35 C ATOM 816 O TYR A 49 21.596 6.321 -1.517 1.00 44.24 O ATOM 817 CB TYR A 49 20.139 5.549 0.691 1.00 75.33 C ATOM 818 CG TYR A 49 19.080 5.219 1.745 1.00 11.41 C ATOM 819 CD1 TYR A 49 19.361 5.399 3.084 1.00 35.13 C ATOM 820 CD2 TYR A 49 17.844 4.743 1.357 1.00 62.32 C ATOM 821 CE1 TYR A 49 18.364 5.089 4.077 1.00 62.14 C ATOM 822 CE2 TYR A 49 16.848 4.433 2.349 1.00 32.32 C ATOM 823 CZ TYR A 49 17.157 4.621 3.660 1.00 10.01 C ATOM 824 OH TYR A 49 16.216 4.328 4.597 1.00 11.33 O ATOM 0 H TYR A 49 18.646 6.786 -1.125 1.00 1.34 H new ATOM 0 HA TYR A 49 20.382 7.683 1.130 1.00 63.25 H new ATOM 0 HB2 TYR A 49 19.954 4.944 -0.197 1.00 75.33 H new ATOM 0 HB3 TYR A 49 21.119 5.263 1.073 1.00 75.33 H new ATOM 0 HD1 TYR A 49 20.328 5.772 3.388 1.00 35.13 H new ATOM 0 HD2 TYR A 49 17.624 4.603 0.309 1.00 62.32 H new ATOM 0 HE1 TYR A 49 18.570 5.225 5.128 1.00 62.14 H new ATOM 0 HE2 TYR A 49 15.877 4.059 2.059 1.00 32.32 H new ATOM 0 HH TYR A 49 16.123 5.083 5.214 1.00 11.33 H new ATOM 834 N LEU A 50 21.851 8.427 -0.732 1.00 21.42 N ATOM 835 CA LEU A 50 22.919 8.762 -1.659 1.00 13.24 C ATOM 836 C LEU A 50 24.270 8.537 -0.977 1.00 13.24 C ATOM 837 O LEU A 50 24.752 9.401 -0.246 1.00 50.52 O ATOM 838 CB LEU A 50 22.732 10.181 -2.200 1.00 71.11 C ATOM 839 CG LEU A 50 23.516 10.523 -3.469 1.00 14.11 C ATOM 840 CD1 LEU A 50 23.566 9.327 -4.422 1.00 14.23 C ATOM 841 CD2 LEU A 50 22.946 11.771 -4.145 1.00 54.54 C ATOM 0 H LEU A 50 21.590 9.177 -0.092 1.00 21.42 H new ATOM 0 HA LEU A 50 22.888 8.106 -2.529 1.00 13.24 H new ATOM 0 HB2 LEU A 50 21.672 10.336 -2.399 1.00 71.11 H new ATOM 0 HB3 LEU A 50 23.016 10.887 -1.420 1.00 71.11 H new ATOM 0 HG LEU A 50 24.543 10.751 -3.185 1.00 14.11 H new ATOM 0 HD11 LEU A 50 24.129 9.597 -5.316 1.00 14.23 H new ATOM 0 HD12 LEU A 50 24.053 8.487 -3.926 1.00 14.23 H new ATOM 0 HD13 LEU A 50 22.552 9.044 -4.704 1.00 14.23 H new ATOM 0 HD21 LEU A 50 23.521 11.992 -5.044 1.00 54.54 H new ATOM 0 HD22 LEU A 50 21.904 11.595 -4.414 1.00 54.54 H new ATOM 0 HD23 LEU A 50 23.006 12.616 -3.459 1.00 54.54 H new ATOM 853 N VAL A 51 24.842 7.372 -1.239 1.00 63.42 N ATOM 854 CA VAL A 51 26.128 7.022 -0.660 1.00 2.02 C ATOM 855 C VAL A 51 27.185 6.974 -1.765 1.00 74.04 C ATOM 856 O VAL A 51 26.862 6.731 -2.927 1.00 60.41 O ATOM 857 CB VAL A 51 26.013 5.708 0.115 1.00 62.42 C ATOM 858 CG1 VAL A 51 25.788 5.968 1.606 1.00 64.44 C ATOM 859 CG2 VAL A 51 24.903 4.827 -0.462 1.00 30.22 C ATOM 0 H VAL A 51 24.439 6.657 -1.845 1.00 63.42 H new ATOM 0 HA VAL A 51 26.442 7.780 0.057 1.00 2.02 H new ATOM 0 HB VAL A 51 26.956 5.172 0.008 1.00 62.42 H new ATOM 0 HG11 VAL A 51 25.710 5.017 2.133 1.00 64.44 H new ATOM 0 HG12 VAL A 51 26.627 6.537 2.007 1.00 64.44 H new ATOM 0 HG13 VAL A 51 24.867 6.535 1.742 1.00 64.44 H new ATOM 0 HG21 VAL A 51 24.842 3.899 0.107 1.00 30.22 H new ATOM 0 HG22 VAL A 51 23.951 5.354 -0.400 1.00 30.22 H new ATOM 0 HG23 VAL A 51 25.124 4.599 -1.505 1.00 30.22 H new ATOM 869 N PRO A 52 28.458 7.216 -1.354 1.00 42.13 N ATOM 870 CA PRO A 52 29.564 7.203 -2.297 1.00 21.23 C ATOM 871 C PRO A 52 29.928 5.771 -2.695 1.00 0.01 C ATOM 872 O PRO A 52 29.394 4.813 -2.138 1.00 11.21 O ATOM 873 CB PRO A 52 30.695 7.927 -1.586 1.00 4.52 C ATOM 874 CG PRO A 52 30.338 7.910 -0.108 1.00 64.14 C ATOM 875 CD PRO A 52 28.878 7.508 0.013 1.00 34.13 C ATOM 0 HA PRO A 52 29.321 7.698 -3.237 1.00 21.23 H new ATOM 0 HB2 PRO A 52 31.649 7.430 -1.763 1.00 4.52 H new ATOM 0 HB3 PRO A 52 30.795 8.949 -1.952 1.00 4.52 H new ATOM 0 HG2 PRO A 52 30.974 7.207 0.430 1.00 64.14 H new ATOM 0 HG3 PRO A 52 30.502 8.892 0.336 1.00 64.14 H new ATOM 0 HD2 PRO A 52 28.759 6.637 0.658 1.00 34.13 H new ATOM 0 HD3 PRO A 52 28.281 8.310 0.448 1.00 34.13 H new ATOM 883 N ALA A 53 30.835 5.670 -3.656 1.00 12.44 N ATOM 884 CA ALA A 53 31.277 4.372 -4.135 1.00 35.33 C ATOM 885 C ALA A 53 32.469 3.903 -3.299 1.00 1.14 C ATOM 886 O ALA A 53 33.216 3.020 -3.717 1.00 31.55 O ATOM 887 CB ALA A 53 31.610 4.463 -5.625 1.00 54.52 C ATOM 0 H ALA A 53 31.276 6.467 -4.116 1.00 12.44 H new ATOM 0 HA ALA A 53 30.484 3.632 -4.023 1.00 35.33 H new ATOM 0 HB1 ALA A 53 31.942 3.489 -5.984 1.00 54.52 H new ATOM 0 HB2 ALA A 53 30.723 4.771 -6.178 1.00 54.52 H new ATOM 0 HB3 ALA A 53 32.404 5.195 -5.776 1.00 54.52 H new ATOM 893 N ASP A 54 32.611 4.516 -2.133 1.00 33.04 N ATOM 894 CA ASP A 54 33.700 4.173 -1.234 1.00 72.40 C ATOM 895 C ASP A 54 33.127 3.786 0.131 1.00 54.21 C ATOM 896 O ASP A 54 33.875 3.489 1.061 1.00 72.02 O ATOM 897 CB ASP A 54 34.642 5.361 -1.032 1.00 23.33 C ATOM 898 CG ASP A 54 35.878 5.068 -0.179 1.00 64.30 C ATOM 899 OD1 ASP A 54 36.299 3.909 -0.041 1.00 11.42 O ATOM 900 OD2 ASP A 54 36.424 6.103 0.364 1.00 32.23 O ATOM 0 H ASP A 54 31.990 5.249 -1.790 1.00 33.04 H new ATOM 0 HA ASP A 54 34.254 3.345 -1.676 1.00 72.40 H new ATOM 0 HB2 ASP A 54 34.969 5.716 -2.009 1.00 23.33 H new ATOM 0 HB3 ASP A 54 34.083 6.174 -0.568 1.00 23.33 H new ATOM 906 N LEU A 55 31.804 3.803 0.208 1.00 70.22 N ATOM 907 CA LEU A 55 31.122 3.458 1.443 1.00 33.24 C ATOM 908 C LEU A 55 30.760 1.971 1.423 1.00 13.41 C ATOM 909 O LEU A 55 30.629 1.375 0.355 1.00 4.12 O ATOM 910 CB LEU A 55 29.922 4.380 1.668 1.00 11.15 C ATOM 911 CG LEU A 55 28.946 3.955 2.767 1.00 33.32 C ATOM 912 CD1 LEU A 55 28.290 5.173 3.420 1.00 41.10 C ATOM 913 CD2 LEU A 55 27.910 2.967 2.228 1.00 74.44 C ATOM 0 H LEU A 55 31.187 4.050 -0.565 1.00 70.22 H new ATOM 0 HA LEU A 55 31.780 3.615 2.298 1.00 33.24 H new ATOM 0 HB2 LEU A 55 30.294 5.376 1.906 1.00 11.15 H new ATOM 0 HB3 LEU A 55 29.371 4.461 0.731 1.00 11.15 H new ATOM 0 HG LEU A 55 29.511 3.439 3.543 1.00 33.32 H new ATOM 0 HD11 LEU A 55 27.601 4.842 4.197 1.00 41.10 H new ATOM 0 HD12 LEU A 55 29.059 5.807 3.862 1.00 41.10 H new ATOM 0 HD13 LEU A 55 27.742 5.739 2.667 1.00 41.10 H new ATOM 0 HD21 LEU A 55 27.229 2.681 3.029 1.00 74.44 H new ATOM 0 HD22 LEU A 55 27.346 3.435 1.422 1.00 74.44 H new ATOM 0 HD23 LEU A 55 28.417 2.080 1.848 1.00 74.44 H new ATOM 925 N THR A 56 30.607 1.416 2.616 1.00 23.13 N ATOM 926 CA THR A 56 30.263 0.011 2.749 1.00 72.40 C ATOM 927 C THR A 56 28.796 -0.143 3.154 1.00 15.23 C ATOM 928 O THR A 56 28.216 0.761 3.754 1.00 13.11 O ATOM 929 CB THR A 56 31.237 -0.623 3.744 1.00 64.24 C ATOM 930 OG1 THR A 56 30.762 -0.195 5.017 1.00 52.33 O ATOM 931 CG2 THR A 56 32.642 -0.024 3.650 1.00 61.13 C ATOM 0 H THR A 56 30.715 1.914 3.500 1.00 23.13 H new ATOM 0 HA THR A 56 30.362 -0.511 1.797 1.00 72.40 H new ATOM 0 HB THR A 56 31.287 -1.697 3.567 1.00 64.24 H new ATOM 0 HG1 THR A 56 30.327 -0.946 5.473 1.00 52.33 H new ATOM 0 HG21 THR A 56 33.294 -0.509 4.377 1.00 61.13 H new ATOM 0 HG22 THR A 56 33.038 -0.181 2.647 1.00 61.13 H new ATOM 0 HG23 THR A 56 32.597 1.045 3.859 1.00 61.13 H new ATOM 939 N VAL A 57 28.237 -1.294 2.810 1.00 21.04 N ATOM 940 CA VAL A 57 26.849 -1.578 3.131 1.00 55.51 C ATOM 941 C VAL A 57 26.586 -1.228 4.597 1.00 25.12 C ATOM 942 O VAL A 57 25.574 -0.609 4.920 1.00 32.12 O ATOM 943 CB VAL A 57 26.521 -3.034 2.796 1.00 71.03 C ATOM 944 CG1 VAL A 57 25.118 -3.406 3.281 1.00 64.04 C ATOM 945 CG2 VAL A 57 26.671 -3.299 1.296 1.00 10.43 C ATOM 0 H VAL A 57 28.721 -2.041 2.312 1.00 21.04 H new ATOM 0 HA VAL A 57 26.184 -0.962 2.526 1.00 55.51 H new ATOM 0 HB VAL A 57 27.236 -3.668 3.321 1.00 71.03 H new ATOM 0 HG11 VAL A 57 24.910 -4.446 3.030 1.00 64.04 H new ATOM 0 HG12 VAL A 57 25.060 -3.275 4.361 1.00 64.04 H new ATOM 0 HG13 VAL A 57 24.383 -2.762 2.797 1.00 64.04 H new ATOM 0 HG21 VAL A 57 26.432 -4.341 1.085 1.00 10.43 H new ATOM 0 HG22 VAL A 57 25.991 -2.652 0.742 1.00 10.43 H new ATOM 0 HG23 VAL A 57 27.697 -3.093 0.991 1.00 10.43 H new ATOM 955 N GLY A 58 27.517 -1.640 5.446 1.00 52.11 N ATOM 956 CA GLY A 58 27.399 -1.378 6.870 1.00 22.13 C ATOM 957 C GLY A 58 26.869 0.034 7.126 1.00 1.23 C ATOM 958 O GLY A 58 25.829 0.205 7.760 1.00 11.21 O ATOM 0 H GLY A 58 28.356 -2.153 5.175 1.00 52.11 H new ATOM 0 HA2 GLY A 58 26.730 -2.109 7.324 1.00 22.13 H new ATOM 0 HA3 GLY A 58 28.372 -1.497 7.347 1.00 22.13 H new ATOM 962 N GLN A 59 27.609 1.010 6.620 1.00 13.13 N ATOM 963 CA GLN A 59 27.226 2.402 6.786 1.00 1.03 C ATOM 964 C GLN A 59 25.735 2.581 6.495 1.00 52.03 C ATOM 965 O GLN A 59 25.058 3.364 7.160 1.00 63.02 O ATOM 966 CB GLN A 59 28.072 3.313 5.895 1.00 42.21 C ATOM 967 CG GLN A 59 29.561 3.166 6.216 1.00 12.25 C ATOM 968 CD GLN A 59 30.301 4.488 6.003 1.00 41.04 C ATOM 969 OE1 GLN A 59 29.982 5.510 6.588 1.00 72.21 O ATOM 970 NE2 GLN A 59 31.305 4.411 5.134 1.00 41.43 N ATOM 0 H GLN A 59 28.471 0.864 6.095 1.00 13.13 H new ATOM 0 HA GLN A 59 27.411 2.688 7.821 1.00 1.03 H new ATOM 0 HB2 GLN A 59 27.896 3.068 4.848 1.00 42.21 H new ATOM 0 HB3 GLN A 59 27.767 4.350 6.035 1.00 42.21 H new ATOM 0 HG2 GLN A 59 29.683 2.839 7.249 1.00 12.25 H new ATOM 0 HG3 GLN A 59 29.999 2.394 5.583 1.00 12.25 H new ATOM 0 HE21 GLN A 59 31.519 3.523 4.679 1.00 41.43 H new ATOM 0 HE22 GLN A 59 31.861 5.240 4.922 1.00 41.43 H new ATOM 979 N PHE A 60 25.266 1.842 5.500 1.00 41.32 N ATOM 980 CA PHE A 60 23.867 1.910 5.112 1.00 24.31 C ATOM 981 C PHE A 60 22.960 1.428 6.246 1.00 23.21 C ATOM 982 O PHE A 60 21.871 1.964 6.445 1.00 4.13 O ATOM 983 CB PHE A 60 23.692 0.984 3.907 1.00 43.15 C ATOM 984 CG PHE A 60 22.515 1.355 3.003 1.00 51.43 C ATOM 985 CD1 PHE A 60 22.662 2.321 2.056 1.00 1.15 C ATOM 986 CD2 PHE A 60 21.321 0.720 3.146 1.00 61.34 C ATOM 987 CE1 PHE A 60 21.569 2.666 1.218 1.00 64.44 C ATOM 988 CE2 PHE A 60 20.228 1.064 2.307 1.00 44.22 C ATOM 989 CZ PHE A 60 20.376 2.030 1.360 1.00 34.15 C ATOM 0 H PHE A 60 25.830 1.193 4.951 1.00 41.32 H new ATOM 0 HA PHE A 60 23.595 2.939 4.877 1.00 24.31 H new ATOM 0 HB2 PHE A 60 24.608 0.996 3.317 1.00 43.15 H new ATOM 0 HB3 PHE A 60 23.556 -0.037 4.263 1.00 43.15 H new ATOM 0 HD1 PHE A 60 23.610 2.825 1.942 1.00 1.15 H new ATOM 0 HD2 PHE A 60 21.204 -0.046 3.898 1.00 61.34 H new ATOM 0 HE1 PHE A 60 21.685 3.434 0.468 1.00 64.44 H new ATOM 0 HE2 PHE A 60 19.280 0.559 2.420 1.00 44.22 H new ATOM 0 HZ PHE A 60 19.545 2.291 0.721 1.00 34.15 H new ATOM 999 N VAL A 61 23.443 0.421 6.960 1.00 53.04 N ATOM 1000 CA VAL A 61 22.689 -0.139 8.068 1.00 31.24 C ATOM 1001 C VAL A 61 22.622 0.885 9.203 1.00 21.11 C ATOM 1002 O VAL A 61 21.799 0.760 10.109 1.00 44.30 O ATOM 1003 CB VAL A 61 23.306 -1.471 8.501 1.00 72.04 C ATOM 1004 CG1 VAL A 61 22.373 -2.224 9.452 1.00 64.04 C ATOM 1005 CG2 VAL A 61 23.661 -2.331 7.286 1.00 51.43 C ATOM 0 H VAL A 61 24.347 -0.021 6.792 1.00 53.04 H new ATOM 0 HA VAL A 61 21.665 -0.354 7.763 1.00 31.24 H new ATOM 0 HB VAL A 61 24.229 -1.254 9.039 1.00 72.04 H new ATOM 0 HG11 VAL A 61 22.835 -3.167 9.744 1.00 64.04 H new ATOM 0 HG12 VAL A 61 22.192 -1.618 10.340 1.00 64.04 H new ATOM 0 HG13 VAL A 61 21.426 -2.424 8.950 1.00 64.04 H new ATOM 0 HG21 VAL A 61 24.098 -3.272 7.621 1.00 51.43 H new ATOM 0 HG22 VAL A 61 22.759 -2.535 6.709 1.00 51.43 H new ATOM 0 HG23 VAL A 61 24.379 -1.800 6.662 1.00 51.43 H new ATOM 1015 N TYR A 62 23.499 1.874 9.117 1.00 50.44 N ATOM 1016 CA TYR A 62 23.550 2.919 10.125 1.00 51.51 C ATOM 1017 C TYR A 62 22.568 4.046 9.797 1.00 45.44 C ATOM 1018 O TYR A 62 21.625 4.291 10.547 1.00 1.11 O ATOM 1019 CB TYR A 62 24.976 3.474 10.086 1.00 35.53 C ATOM 1020 CG TYR A 62 25.507 3.918 11.450 1.00 4.40 C ATOM 1021 CD1 TYR A 62 25.347 3.104 12.553 1.00 73.15 C ATOM 1022 CD2 TYR A 62 26.148 5.134 11.578 1.00 51.32 C ATOM 1023 CE1 TYR A 62 25.847 3.523 13.836 1.00 23.31 C ATOM 1024 CE2 TYR A 62 26.648 5.553 12.861 1.00 4.04 C ATOM 1025 CZ TYR A 62 26.473 4.727 13.927 1.00 24.43 C ATOM 1026 OH TYR A 62 26.946 5.122 15.140 1.00 42.15 O ATOM 0 H TYR A 62 24.180 1.974 8.364 1.00 50.44 H new ATOM 0 HA TYR A 62 23.283 2.521 11.104 1.00 51.51 H new ATOM 0 HB2 TYR A 62 25.641 2.712 9.679 1.00 35.53 H new ATOM 0 HB3 TYR A 62 25.007 4.322 9.402 1.00 35.53 H new ATOM 0 HD1 TYR A 62 24.846 2.152 12.453 1.00 73.15 H new ATOM 0 HD2 TYR A 62 26.274 5.771 10.715 1.00 51.32 H new ATOM 0 HE1 TYR A 62 25.728 2.895 14.707 1.00 23.31 H new ATOM 0 HE2 TYR A 62 27.151 6.502 12.975 1.00 4.04 H new ATOM 0 HH TYR A 62 27.370 6.001 15.055 1.00 42.15 H new ATOM 1036 N VAL A 63 22.824 4.703 8.674 1.00 24.45 N ATOM 1037 CA VAL A 63 21.975 5.798 8.238 1.00 62.24 C ATOM 1038 C VAL A 63 20.508 5.395 8.397 1.00 31.15 C ATOM 1039 O VAL A 63 19.708 6.154 8.941 1.00 14.32 O ATOM 1040 CB VAL A 63 22.333 6.198 6.805 1.00 73.23 C ATOM 1041 CG1 VAL A 63 23.654 6.967 6.764 1.00 45.12 C ATOM 1042 CG2 VAL A 63 22.383 4.972 5.890 1.00 53.52 C ATOM 0 H VAL A 63 23.607 4.497 8.054 1.00 24.45 H new ATOM 0 HA VAL A 63 22.139 6.679 8.858 1.00 62.24 H new ATOM 0 HB VAL A 63 21.549 6.860 6.436 1.00 73.23 H new ATOM 0 HG11 VAL A 63 23.885 7.239 5.734 1.00 45.12 H new ATOM 0 HG12 VAL A 63 23.568 7.871 7.367 1.00 45.12 H new ATOM 0 HG13 VAL A 63 24.452 6.340 7.161 1.00 45.12 H new ATOM 0 HG21 VAL A 63 22.639 5.284 4.878 1.00 53.52 H new ATOM 0 HG22 VAL A 63 23.136 4.275 6.257 1.00 53.52 H new ATOM 0 HG23 VAL A 63 21.409 4.483 5.883 1.00 53.52 H new ATOM 1052 N ILE A 64 20.199 4.201 7.914 1.00 64.42 N ATOM 1053 CA ILE A 64 18.842 3.688 7.996 1.00 24.42 C ATOM 1054 C ILE A 64 18.392 3.681 9.458 1.00 22.15 C ATOM 1055 O ILE A 64 17.463 4.397 9.829 1.00 44.10 O ATOM 1056 CB ILE A 64 18.744 2.320 7.316 1.00 3.43 C ATOM 1057 CG1 ILE A 64 18.450 2.471 5.822 1.00 34.04 C ATOM 1058 CG2 ILE A 64 17.714 1.432 8.017 1.00 3.21 C ATOM 1059 CD1 ILE A 64 19.743 2.458 5.004 1.00 34.44 C ATOM 0 H ILE A 64 20.865 3.573 7.464 1.00 64.42 H new ATOM 0 HA ILE A 64 18.156 4.338 7.453 1.00 24.42 H new ATOM 0 HB ILE A 64 19.710 1.823 7.405 1.00 3.43 H new ATOM 0 HG12 ILE A 64 17.799 1.661 5.492 1.00 34.04 H new ATOM 0 HG13 ILE A 64 17.913 3.403 5.646 1.00 34.04 H new ATOM 0 HG21 ILE A 64 17.664 0.466 7.514 1.00 3.21 H new ATOM 0 HG22 ILE A 64 18.008 1.285 9.056 1.00 3.21 H new ATOM 0 HG23 ILE A 64 16.736 1.911 7.980 1.00 3.21 H new ATOM 0 HD11 ILE A 64 19.505 2.567 3.946 1.00 34.44 H new ATOM 0 HD12 ILE A 64 20.381 3.283 5.319 1.00 34.44 H new ATOM 0 HD13 ILE A 64 20.265 1.514 5.163 1.00 34.44 H new ATOM 1071 N ARG A 65 19.072 2.864 10.250 1.00 73.12 N ATOM 1072 CA ARG A 65 18.753 2.754 11.663 1.00 3.53 C ATOM 1073 C ARG A 65 18.445 4.135 12.246 1.00 5.14 C ATOM 1074 O ARG A 65 17.678 4.253 13.200 1.00 32.22 O ATOM 1075 CB ARG A 65 19.911 2.126 12.442 1.00 41.34 C ATOM 1076 CG ARG A 65 19.554 1.966 13.921 1.00 62.23 C ATOM 1077 CD ARG A 65 20.812 1.767 14.770 1.00 75.24 C ATOM 1078 NE ARG A 65 21.518 0.537 14.347 1.00 33.44 N ATOM 1079 CZ ARG A 65 22.423 -0.115 15.108 1.00 70.22 C ATOM 1080 NH1 ARG A 65 22.740 0.341 16.338 1.00 2.30 N ATOM 1081 NH2 ARG A 65 22.993 -1.206 14.630 1.00 3.32 N ATOM 0 H ARG A 65 19.843 2.272 9.939 1.00 73.12 H new ATOM 0 HA ARG A 65 17.877 2.112 11.756 1.00 3.53 H new ATOM 0 HB2 ARG A 65 20.155 1.153 12.016 1.00 41.34 H new ATOM 0 HB3 ARG A 65 20.800 2.749 12.344 1.00 41.34 H new ATOM 0 HG2 ARG A 65 19.014 2.848 14.266 1.00 62.23 H new ATOM 0 HG3 ARG A 65 18.887 1.113 14.048 1.00 62.23 H new ATOM 0 HD2 ARG A 65 21.471 2.629 14.666 1.00 75.24 H new ATOM 0 HD3 ARG A 65 20.542 1.697 15.824 1.00 75.24 H new ATOM 0 HE ARG A 65 21.308 0.158 13.423 1.00 33.44 H new ATOM 0 HH11 ARG A 65 22.295 1.184 16.700 1.00 2.30 H new ATOM 0 HH12 ARG A 65 23.425 -0.158 16.906 1.00 2.30 H new ATOM 0 HH21 ARG A 65 22.748 -1.544 13.699 1.00 3.32 H new ATOM 0 HH22 ARG A 65 23.679 -1.711 15.191 1.00 3.32 H new ATOM 1094 N LYS A 66 19.060 5.145 11.649 1.00 43.22 N ATOM 1095 CA LYS A 66 18.862 6.513 12.097 1.00 35.00 C ATOM 1096 C LYS A 66 17.539 7.041 11.538 1.00 13.03 C ATOM 1097 O LYS A 66 16.726 7.595 12.277 1.00 73.32 O ATOM 1098 CB LYS A 66 20.071 7.377 11.734 1.00 30.10 C ATOM 1099 CG LYS A 66 21.133 7.323 12.834 1.00 0.22 C ATOM 1100 CD LYS A 66 22.364 6.543 12.370 1.00 64.21 C ATOM 1101 CE LYS A 66 23.584 6.880 13.230 1.00 12.31 C ATOM 1102 NZ LYS A 66 23.208 6.943 14.660 1.00 11.42 N ATOM 0 H LYS A 66 19.696 5.043 10.858 1.00 43.22 H new ATOM 0 HA LYS A 66 18.788 6.551 13.184 1.00 35.00 H new ATOM 0 HB2 LYS A 66 20.499 7.032 10.793 1.00 30.10 H new ATOM 0 HB3 LYS A 66 19.753 8.408 11.581 1.00 30.10 H new ATOM 0 HG2 LYS A 66 21.424 8.336 13.114 1.00 0.22 H new ATOM 0 HG3 LYS A 66 20.715 6.854 13.725 1.00 0.22 H new ATOM 0 HD2 LYS A 66 22.162 5.473 12.423 1.00 64.21 H new ATOM 0 HD3 LYS A 66 22.575 6.777 11.326 1.00 64.21 H new ATOM 0 HE2 LYS A 66 24.358 6.127 13.084 1.00 12.31 H new ATOM 0 HE3 LYS A 66 24.005 7.835 12.916 1.00 12.31 H new ATOM 0 HZ1 LYS A 66 24.067 6.918 15.246 1.00 11.42 H new ATOM 0 HZ2 LYS A 66 22.689 7.825 14.844 1.00 11.42 H new ATOM 0 HZ3 LYS A 66 22.604 6.130 14.896 1.00 11.42 H new ATOM 1115 N ARG A 67 17.364 6.851 10.239 1.00 42.13 N ATOM 1116 CA ARG A 67 16.154 7.301 9.572 1.00 0.44 C ATOM 1117 C ARG A 67 14.918 6.818 10.334 1.00 52.25 C ATOM 1118 O ARG A 67 13.837 7.390 10.197 1.00 44.02 O ATOM 1119 CB ARG A 67 16.093 6.785 8.134 1.00 72.14 C ATOM 1120 CG ARG A 67 16.903 7.681 7.194 1.00 21.25 C ATOM 1121 CD ARG A 67 16.007 8.723 6.522 1.00 71.20 C ATOM 1122 NE ARG A 67 15.938 9.944 7.355 1.00 13.01 N ATOM 1123 CZ ARG A 67 16.975 10.785 7.552 1.00 12.53 C ATOM 1124 NH1 ARG A 67 18.172 10.544 6.977 1.00 51.24 N ATOM 1125 NH2 ARG A 67 16.801 11.848 8.316 1.00 31.45 N ATOM 0 H ARG A 67 18.041 6.391 9.630 1.00 42.13 H new ATOM 0 HA ARG A 67 16.171 8.391 9.553 1.00 0.44 H new ATOM 0 HB2 ARG A 67 16.479 5.766 8.093 1.00 72.14 H new ATOM 0 HB3 ARG A 67 15.056 6.747 7.801 1.00 72.14 H new ATOM 0 HG2 ARG A 67 17.692 8.182 7.754 1.00 21.25 H new ATOM 0 HG3 ARG A 67 17.390 7.070 6.434 1.00 21.25 H new ATOM 0 HD2 ARG A 67 16.398 8.968 5.534 1.00 71.20 H new ATOM 0 HD3 ARG A 67 15.007 8.315 6.377 1.00 71.20 H new ATOM 0 HE ARG A 67 15.051 10.164 7.809 1.00 13.01 H new ATOM 0 HH11 ARG A 67 18.298 9.721 6.388 1.00 51.24 H new ATOM 0 HH12 ARG A 67 18.950 11.185 7.131 1.00 51.24 H new ATOM 0 HH21 ARG A 67 15.893 12.023 8.747 1.00 31.45 H new ATOM 0 HH22 ARG A 67 17.574 12.494 8.475 1.00 31.45 H new ATOM 1138 N ILE A 68 15.118 5.770 11.119 1.00 40.02 N ATOM 1139 CA ILE A 68 14.033 5.203 11.902 1.00 50.42 C ATOM 1140 C ILE A 68 14.228 5.568 13.375 1.00 42.32 C ATOM 1141 O ILE A 68 13.271 5.580 14.147 1.00 30.12 O ATOM 1142 CB ILE A 68 13.920 3.698 11.651 1.00 43.43 C ATOM 1143 CG1 ILE A 68 15.267 3.111 11.224 1.00 42.44 C ATOM 1144 CG2 ILE A 68 12.815 3.393 10.638 1.00 32.31 C ATOM 1145 CD1 ILE A 68 15.226 1.582 11.233 1.00 24.10 C ATOM 0 H ILE A 68 16.016 5.298 11.230 1.00 40.02 H new ATOM 0 HA ILE A 68 13.078 5.627 11.592 1.00 50.42 H new ATOM 0 HB ILE A 68 13.641 3.215 12.587 1.00 43.43 H new ATOM 0 HG12 ILE A 68 15.522 3.466 10.225 1.00 42.44 H new ATOM 0 HG13 ILE A 68 16.050 3.461 11.896 1.00 42.44 H new ATOM 0 HG21 ILE A 68 12.756 2.317 10.477 1.00 32.31 H new ATOM 0 HG22 ILE A 68 11.861 3.756 11.020 1.00 32.31 H new ATOM 0 HG23 ILE A 68 13.040 3.889 9.694 1.00 32.31 H new ATOM 0 HD11 ILE A 68 16.196 1.190 10.926 1.00 24.10 H new ATOM 0 HD12 ILE A 68 14.995 1.230 12.238 1.00 24.10 H new ATOM 0 HD13 ILE A 68 14.459 1.235 10.541 1.00 24.10 H new ATOM 1157 N MET A 69 15.474 5.857 13.720 1.00 43.34 N ATOM 1158 CA MET A 69 15.807 6.222 15.086 1.00 23.43 C ATOM 1159 C MET A 69 15.735 5.005 16.011 1.00 21.12 C ATOM 1160 O MET A 69 15.414 5.136 17.191 1.00 33.12 O ATOM 1161 CB MET A 69 14.836 7.296 15.579 1.00 3.23 C ATOM 1162 CG MET A 69 14.342 8.162 14.419 1.00 52.30 C ATOM 1163 SD MET A 69 14.157 9.855 14.956 1.00 72.51 S ATOM 1164 CE MET A 69 14.772 10.707 13.513 1.00 20.50 C ATOM 0 H MET A 69 16.265 5.846 13.077 1.00 43.34 H new ATOM 0 HA MET A 69 16.827 6.607 15.101 1.00 23.43 H new ATOM 0 HB2 MET A 69 13.986 6.824 16.073 1.00 3.23 H new ATOM 0 HB3 MET A 69 15.329 7.923 16.322 1.00 3.23 H new ATOM 0 HG2 MET A 69 15.047 8.110 13.590 1.00 52.30 H new ATOM 0 HG3 MET A 69 13.389 7.782 14.051 1.00 52.30 H new ATOM 0 HE1 MET A 69 14.727 11.783 13.679 1.00 20.50 H new ATOM 0 HE2 MET A 69 15.805 10.411 13.329 1.00 20.50 H new ATOM 0 HE3 MET A 69 14.160 10.447 12.649 1.00 20.50 H new ATOM 1174 N LEU A 70 16.040 3.849 15.440 1.00 35.33 N ATOM 1175 CA LEU A 70 16.013 2.610 16.199 1.00 62.42 C ATOM 1176 C LEU A 70 17.078 2.666 17.296 1.00 62.42 C ATOM 1177 O LEU A 70 18.085 3.357 17.154 1.00 43.24 O ATOM 1178 CB LEU A 70 16.155 1.406 15.264 1.00 4.44 C ATOM 1179 CG LEU A 70 14.872 0.624 14.979 1.00 60.24 C ATOM 1180 CD1 LEU A 70 13.688 1.570 14.769 1.00 22.11 C ATOM 1181 CD2 LEU A 70 15.062 -0.327 13.795 1.00 31.44 C ATOM 0 H LEU A 70 16.307 3.744 14.461 1.00 35.33 H new ATOM 0 HA LEU A 70 15.050 2.487 16.695 1.00 62.42 H new ATOM 0 HB2 LEU A 70 16.563 1.754 14.315 1.00 4.44 H new ATOM 0 HB3 LEU A 70 16.886 0.722 15.694 1.00 4.44 H new ATOM 0 HG LEU A 70 14.644 0.012 15.852 1.00 60.24 H new ATOM 0 HD11 LEU A 70 12.789 0.988 14.568 1.00 22.11 H new ATOM 0 HD12 LEU A 70 13.539 2.171 15.666 1.00 22.11 H new ATOM 0 HD13 LEU A 70 13.892 2.226 13.923 1.00 22.11 H new ATOM 0 HD21 LEU A 70 14.135 -0.871 13.613 1.00 31.44 H new ATOM 0 HD22 LEU A 70 15.327 0.246 12.907 1.00 31.44 H new ATOM 0 HD23 LEU A 70 15.860 -1.035 14.021 1.00 31.44 H new ATOM 1193 N PRO A 71 16.812 1.909 18.394 1.00 23.31 N ATOM 1194 CA PRO A 71 17.736 1.866 19.515 1.00 60.32 C ATOM 1195 C PRO A 71 18.963 1.014 19.182 1.00 73.20 C ATOM 1196 O PRO A 71 18.990 0.331 18.159 1.00 0.41 O ATOM 1197 CB PRO A 71 16.924 1.310 20.673 1.00 14.21 C ATOM 1198 CG PRO A 71 15.717 0.630 20.047 1.00 14.34 C ATOM 1199 CD PRO A 71 15.630 1.077 18.597 1.00 13.02 C ATOM 0 HA PRO A 71 18.141 2.847 19.764 1.00 60.32 H new ATOM 0 HB2 PRO A 71 17.512 0.602 21.258 1.00 14.21 H new ATOM 0 HB3 PRO A 71 16.616 2.105 21.352 1.00 14.21 H new ATOM 0 HG2 PRO A 71 15.816 -0.454 20.107 1.00 14.34 H new ATOM 0 HG3 PRO A 71 14.807 0.897 20.584 1.00 14.34 H new ATOM 0 HD2 PRO A 71 15.625 0.223 17.919 1.00 13.02 H new ATOM 0 HD3 PRO A 71 14.714 1.638 18.410 1.00 13.02 H new ATOM 1207 N PRO A 72 19.974 1.083 20.089 1.00 52.21 N ATOM 1208 CA PRO A 72 21.200 0.327 19.902 1.00 60.41 C ATOM 1209 C PRO A 72 20.981 -1.157 20.208 1.00 42.45 C ATOM 1210 O PRO A 72 21.910 -1.957 20.113 1.00 62.24 O ATOM 1211 CB PRO A 72 22.211 0.981 20.829 1.00 44.13 C ATOM 1212 CG PRO A 72 21.399 1.776 21.838 1.00 54.23 C ATOM 1213 CD PRO A 72 19.976 1.881 21.312 1.00 64.32 C ATOM 0 HA PRO A 72 21.553 0.347 18.871 1.00 60.41 H new ATOM 0 HB2 PRO A 72 22.826 0.231 21.327 1.00 44.13 H new ATOM 0 HB3 PRO A 72 22.887 1.631 20.273 1.00 44.13 H new ATOM 0 HG2 PRO A 72 21.411 1.284 22.811 1.00 54.23 H new ATOM 0 HG3 PRO A 72 21.829 2.768 21.977 1.00 54.23 H new ATOM 0 HD2 PRO A 72 19.257 1.498 22.036 1.00 64.32 H new ATOM 0 HD3 PRO A 72 19.704 2.917 21.110 1.00 64.32 H new ATOM 1221 N GLU A 73 19.747 -1.478 20.568 1.00 45.11 N ATOM 1222 CA GLU A 73 19.395 -2.851 20.888 1.00 52.21 C ATOM 1223 C GLU A 73 18.757 -3.531 19.675 1.00 21.40 C ATOM 1224 O GLU A 73 18.874 -4.744 19.507 1.00 61.24 O ATOM 1225 CB GLU A 73 18.465 -2.909 22.101 1.00 31.43 C ATOM 1226 CG GLU A 73 17.064 -2.407 21.744 1.00 65.42 C ATOM 1227 CD GLU A 73 16.097 -2.602 22.913 1.00 22.02 C ATOM 1228 OE1 GLU A 73 16.005 -1.733 23.793 1.00 25.11 O ATOM 1229 OE2 GLU A 73 15.425 -3.703 22.887 1.00 12.42 O ATOM 0 H GLU A 73 18.979 -0.811 20.645 1.00 45.11 H new ATOM 0 HA GLU A 73 20.307 -3.390 21.144 1.00 52.21 H new ATOM 0 HB2 GLU A 73 18.405 -3.933 22.469 1.00 31.43 H new ATOM 0 HB3 GLU A 73 18.877 -2.304 22.909 1.00 31.43 H new ATOM 0 HG2 GLU A 73 17.109 -1.351 21.477 1.00 65.42 H new ATOM 0 HG3 GLU A 73 16.694 -2.941 20.869 1.00 65.42 H new ATOM 1237 N LYS A 74 18.096 -2.721 18.861 1.00 23.13 N ATOM 1238 CA LYS A 74 17.440 -3.230 17.669 1.00 11.00 C ATOM 1239 C LYS A 74 18.500 -3.661 16.653 1.00 32.34 C ATOM 1240 O LYS A 74 19.686 -3.391 16.836 1.00 52.13 O ATOM 1241 CB LYS A 74 16.448 -2.201 17.123 1.00 33.12 C ATOM 1242 CG LYS A 74 15.100 -2.305 17.840 1.00 72.53 C ATOM 1243 CD LYS A 74 13.941 -2.115 16.859 1.00 42.23 C ATOM 1244 CE LYS A 74 12.887 -3.209 17.036 1.00 32.13 C ATOM 1245 NZ LYS A 74 11.971 -2.871 18.148 1.00 12.34 N ATOM 0 H LYS A 74 18.001 -1.716 19.004 1.00 23.13 H new ATOM 0 HA LYS A 74 16.849 -4.114 17.908 1.00 11.00 H new ATOM 0 HB2 LYS A 74 16.854 -1.197 17.248 1.00 33.12 H new ATOM 0 HB3 LYS A 74 16.308 -2.357 16.053 1.00 33.12 H new ATOM 0 HG2 LYS A 74 15.016 -3.278 18.324 1.00 72.53 H new ATOM 0 HG3 LYS A 74 15.043 -1.552 18.626 1.00 72.53 H new ATOM 0 HD2 LYS A 74 13.485 -1.137 17.015 1.00 42.23 H new ATOM 0 HD3 LYS A 74 14.319 -2.131 15.837 1.00 42.23 H new ATOM 0 HE2 LYS A 74 12.320 -3.328 16.113 1.00 32.13 H new ATOM 0 HE3 LYS A 74 13.375 -4.163 17.236 1.00 32.13 H new ATOM 0 HZ1 LYS A 74 11.262 -3.624 18.255 1.00 12.34 H new ATOM 0 HZ2 LYS A 74 12.514 -2.780 19.030 1.00 12.34 H new ATOM 0 HZ3 LYS A 74 11.492 -1.971 17.942 1.00 12.34 H new ATOM 1258 N ALA A 75 18.034 -4.325 15.606 1.00 52.15 N ATOM 1259 CA ALA A 75 18.927 -4.796 14.561 1.00 71.33 C ATOM 1260 C ALA A 75 18.157 -4.889 13.242 1.00 44.35 C ATOM 1261 O ALA A 75 17.345 -5.793 13.055 1.00 62.44 O ATOM 1262 CB ALA A 75 19.536 -6.137 14.976 1.00 73.12 C ATOM 0 H ALA A 75 17.050 -4.548 15.459 1.00 52.15 H new ATOM 0 HA ALA A 75 19.749 -4.096 14.414 1.00 71.33 H new ATOM 0 HB1 ALA A 75 20.206 -6.491 14.192 1.00 73.12 H new ATOM 0 HB2 ALA A 75 20.096 -6.011 15.903 1.00 73.12 H new ATOM 0 HB3 ALA A 75 18.740 -6.866 15.129 1.00 73.12 H new ATOM 1268 N ILE A 76 18.440 -3.940 12.361 1.00 63.44 N ATOM 1269 CA ILE A 76 17.785 -3.903 11.064 1.00 31.53 C ATOM 1270 C ILE A 76 18.744 -4.436 9.998 1.00 51.35 C ATOM 1271 O ILE A 76 19.897 -4.013 9.928 1.00 60.11 O ATOM 1272 CB ILE A 76 17.257 -2.498 10.771 1.00 42.34 C ATOM 1273 CG1 ILE A 76 16.018 -2.553 9.874 1.00 24.32 C ATOM 1274 CG2 ILE A 76 18.355 -1.613 10.177 1.00 41.12 C ATOM 1275 CD1 ILE A 76 15.405 -1.163 9.700 1.00 15.34 C ATOM 0 H ILE A 76 19.114 -3.191 12.520 1.00 63.44 H new ATOM 0 HA ILE A 76 16.911 -4.554 11.059 1.00 31.53 H new ATOM 0 HB ILE A 76 16.952 -2.045 11.714 1.00 42.34 H new ATOM 0 HG12 ILE A 76 16.288 -2.960 8.899 1.00 24.32 H new ATOM 0 HG13 ILE A 76 15.280 -3.228 10.308 1.00 24.32 H new ATOM 0 HG21 ILE A 76 17.953 -0.619 9.978 1.00 41.12 H new ATOM 0 HG22 ILE A 76 19.182 -1.535 10.883 1.00 41.12 H new ATOM 0 HG23 ILE A 76 18.713 -2.053 9.246 1.00 41.12 H new ATOM 0 HD11 ILE A 76 14.526 -1.231 9.058 1.00 15.34 H new ATOM 0 HD12 ILE A 76 15.114 -0.769 10.674 1.00 15.34 H new ATOM 0 HD13 ILE A 76 16.137 -0.497 9.244 1.00 15.34 H new ATOM 1287 N PHE A 77 18.232 -5.355 9.193 1.00 72.22 N ATOM 1288 CA PHE A 77 19.028 -5.950 8.133 1.00 44.52 C ATOM 1289 C PHE A 77 18.534 -5.498 6.757 1.00 64.22 C ATOM 1290 O PHE A 77 17.330 -5.421 6.520 1.00 32.43 O ATOM 1291 CB PHE A 77 18.865 -7.466 8.248 1.00 63.43 C ATOM 1292 CG PHE A 77 19.243 -8.031 9.619 1.00 51.31 C ATOM 1293 CD1 PHE A 77 18.321 -8.062 10.618 1.00 22.54 C ATOM 1294 CD2 PHE A 77 20.500 -8.500 9.838 1.00 22.41 C ATOM 1295 CE1 PHE A 77 18.672 -8.586 11.891 1.00 73.11 C ATOM 1296 CE2 PHE A 77 20.851 -9.024 11.111 1.00 72.14 C ATOM 1297 CZ PHE A 77 19.929 -9.056 12.110 1.00 0.12 C ATOM 0 H PHE A 77 17.275 -5.702 9.254 1.00 72.22 H new ATOM 0 HA PHE A 77 20.069 -5.645 8.234 1.00 44.52 H new ATOM 0 HB2 PHE A 77 17.829 -7.727 8.032 1.00 63.43 H new ATOM 0 HB3 PHE A 77 19.480 -7.946 7.487 1.00 63.43 H new ATOM 0 HD1 PHE A 77 17.323 -7.689 10.444 1.00 22.54 H new ATOM 0 HD2 PHE A 77 21.232 -8.474 9.044 1.00 22.41 H new ATOM 0 HE1 PHE A 77 17.940 -8.611 12.685 1.00 73.11 H new ATOM 0 HE2 PHE A 77 21.850 -9.397 11.285 1.00 72.14 H new ATOM 0 HZ PHE A 77 20.195 -9.455 13.078 1.00 0.12 H new ATOM 1307 N ILE A 78 19.490 -5.211 5.885 1.00 21.42 N ATOM 1308 CA ILE A 78 19.167 -4.770 4.539 1.00 3.30 C ATOM 1309 C ILE A 78 19.160 -5.977 3.599 1.00 53.20 C ATOM 1310 O ILE A 78 19.991 -6.874 3.728 1.00 3.21 O ATOM 1311 CB ILE A 78 20.117 -3.654 4.099 1.00 10.42 C ATOM 1312 CG1 ILE A 78 20.615 -2.852 5.303 1.00 4.41 C ATOM 1313 CG2 ILE A 78 19.461 -2.759 3.046 1.00 14.51 C ATOM 1314 CD1 ILE A 78 19.444 -2.288 6.110 1.00 73.42 C ATOM 0 H ILE A 78 20.488 -5.275 6.085 1.00 21.42 H new ATOM 0 HA ILE A 78 18.167 -4.337 4.510 1.00 3.30 H new ATOM 0 HB ILE A 78 20.990 -4.112 3.634 1.00 10.42 H new ATOM 0 HG12 ILE A 78 21.227 -3.490 5.941 1.00 4.41 H new ATOM 0 HG13 ILE A 78 21.253 -2.036 4.962 1.00 4.41 H new ATOM 0 HG21 ILE A 78 20.157 -1.974 2.751 1.00 14.51 H new ATOM 0 HG22 ILE A 78 19.197 -3.357 2.174 1.00 14.51 H new ATOM 0 HG23 ILE A 78 18.561 -2.307 3.462 1.00 14.51 H new ATOM 0 HD11 ILE A 78 19.827 -1.723 6.960 1.00 73.42 H new ATOM 0 HD12 ILE A 78 18.848 -1.632 5.476 1.00 73.42 H new ATOM 0 HD13 ILE A 78 18.822 -3.108 6.470 1.00 73.42 H new ATOM 1326 N PHE A 79 18.211 -5.960 2.674 1.00 22.21 N ATOM 1327 CA PHE A 79 18.084 -7.042 1.713 1.00 63.33 C ATOM 1328 C PHE A 79 18.012 -6.500 0.284 1.00 71.54 C ATOM 1329 O PHE A 79 17.221 -5.603 -0.005 1.00 23.44 O ATOM 1330 CB PHE A 79 16.781 -7.776 2.034 1.00 14.41 C ATOM 1331 CG PHE A 79 16.730 -8.366 3.445 1.00 65.33 C ATOM 1332 CD1 PHE A 79 16.536 -7.552 4.516 1.00 21.04 C ATOM 1333 CD2 PHE A 79 16.880 -9.706 3.627 1.00 41.24 C ATOM 1334 CE1 PHE A 79 16.489 -8.100 5.825 1.00 25.35 C ATOM 1335 CE2 PHE A 79 16.834 -10.254 4.936 1.00 75.14 C ATOM 1336 CZ PHE A 79 16.639 -9.440 6.007 1.00 2.24 C ATOM 0 H PHE A 79 17.523 -5.214 2.570 1.00 22.21 H new ATOM 0 HA PHE A 79 18.949 -7.702 1.780 1.00 63.33 H new ATOM 0 HB2 PHE A 79 15.947 -7.085 1.910 1.00 14.41 H new ATOM 0 HB3 PHE A 79 16.641 -8.579 1.310 1.00 14.41 H new ATOM 0 HD1 PHE A 79 16.418 -6.488 4.371 1.00 21.04 H new ATOM 0 HD2 PHE A 79 17.034 -10.353 2.776 1.00 41.24 H new ATOM 0 HE1 PHE A 79 16.334 -7.453 6.676 1.00 25.35 H new ATOM 0 HE2 PHE A 79 16.954 -11.318 5.081 1.00 75.14 H new ATOM 0 HZ PHE A 79 16.603 -9.857 7.003 1.00 2.24 H new ATOM 1346 N VAL A 80 18.848 -7.068 -0.573 1.00 73.15 N ATOM 1347 CA VAL A 80 18.888 -6.653 -1.965 1.00 63.34 C ATOM 1348 C VAL A 80 18.785 -7.887 -2.864 1.00 72.31 C ATOM 1349 O VAL A 80 19.530 -8.850 -2.690 1.00 71.43 O ATOM 1350 CB VAL A 80 20.148 -5.826 -2.228 1.00 64.24 C ATOM 1351 CG1 VAL A 80 21.359 -6.428 -1.512 1.00 72.52 C ATOM 1352 CG2 VAL A 80 20.411 -5.690 -3.729 1.00 42.35 C ATOM 0 H VAL A 80 19.503 -7.812 -0.330 1.00 73.15 H new ATOM 0 HA VAL A 80 18.039 -6.010 -2.196 1.00 63.34 H new ATOM 0 HB VAL A 80 19.983 -4.827 -1.825 1.00 64.24 H new ATOM 0 HG11 VAL A 80 22.241 -5.821 -1.716 1.00 72.52 H new ATOM 0 HG12 VAL A 80 21.173 -6.449 -0.438 1.00 72.52 H new ATOM 0 HG13 VAL A 80 21.527 -7.443 -1.871 1.00 72.52 H new ATOM 0 HG21 VAL A 80 21.312 -5.098 -3.888 1.00 42.35 H new ATOM 0 HG22 VAL A 80 20.545 -6.680 -4.166 1.00 42.35 H new ATOM 0 HG23 VAL A 80 19.563 -5.196 -4.204 1.00 42.35 H new ATOM 1362 N ASN A 81 17.855 -7.818 -3.805 1.00 71.13 N ATOM 1363 CA ASN A 81 17.644 -8.918 -4.732 1.00 3.45 C ATOM 1364 C ASN A 81 17.305 -10.185 -3.944 1.00 2.44 C ATOM 1365 O ASN A 81 17.730 -11.280 -4.309 1.00 54.45 O ATOM 1366 CB ASN A 81 18.905 -9.195 -5.553 1.00 12.00 C ATOM 1367 CG ASN A 81 19.068 -8.164 -6.672 1.00 72.41 C ATOM 1368 OD1 ASN A 81 18.109 -7.691 -7.260 1.00 21.40 O ATOM 1369 ND2 ASN A 81 20.332 -7.844 -6.933 1.00 20.23 N ATOM 0 H ASN A 81 17.239 -7.018 -3.946 1.00 71.13 H new ATOM 0 HA ASN A 81 16.830 -8.643 -5.403 1.00 3.45 H new ATOM 0 HB2 ASN A 81 19.779 -9.172 -4.902 1.00 12.00 H new ATOM 0 HB3 ASN A 81 18.852 -10.196 -5.981 1.00 12.00 H new ATOM 0 HD21 ASN A 81 20.546 -7.165 -7.663 1.00 20.23 H new ATOM 0 HD22 ASN A 81 21.088 -8.278 -6.403 1.00 20.23 H new ATOM 1376 N ASP A 82 16.544 -9.993 -2.877 1.00 35.34 N ATOM 1377 CA ASP A 82 16.143 -11.107 -2.034 1.00 34.11 C ATOM 1378 C ASP A 82 17.390 -11.788 -1.468 1.00 65.13 C ATOM 1379 O ASP A 82 17.410 -13.004 -1.286 1.00 73.43 O ATOM 1380 CB ASP A 82 15.357 -12.148 -2.834 1.00 24.31 C ATOM 1381 CG ASP A 82 13.940 -11.727 -3.227 1.00 31.51 C ATOM 1382 OD1 ASP A 82 13.733 -11.053 -4.247 1.00 5.24 O ATOM 1383 OD2 ASP A 82 13.011 -12.127 -2.426 1.00 11.53 O ATOM 0 H ASP A 82 16.194 -9.083 -2.577 1.00 35.34 H new ATOM 0 HA ASP A 82 15.513 -10.715 -1.235 1.00 34.11 H new ATOM 0 HB2 ASP A 82 15.914 -12.384 -3.741 1.00 24.31 H new ATOM 0 HB3 ASP A 82 15.298 -13.065 -2.248 1.00 24.31 H new ATOM 1389 N THR A 83 18.402 -10.974 -1.206 1.00 23.00 N ATOM 1390 CA THR A 83 19.651 -11.483 -0.665 1.00 2.32 C ATOM 1391 C THR A 83 20.098 -10.638 0.530 1.00 33.23 C ATOM 1392 O THR A 83 19.369 -9.753 0.976 1.00 4.21 O ATOM 1393 CB THR A 83 20.677 -11.521 -1.799 1.00 42.10 C ATOM 1394 OG1 THR A 83 21.522 -12.619 -1.466 1.00 73.44 O ATOM 1395 CG2 THR A 83 21.615 -10.312 -1.782 1.00 14.22 C ATOM 0 H THR A 83 18.383 -9.966 -1.358 1.00 23.00 H new ATOM 0 HA THR A 83 19.532 -12.496 -0.281 1.00 2.32 H new ATOM 0 HB THR A 83 20.157 -11.564 -2.756 1.00 42.10 H new ATOM 0 HG1 THR A 83 22.216 -12.717 -2.151 1.00 73.44 H new ATOM 0 HG21 THR A 83 22.323 -10.389 -2.607 1.00 14.22 H new ATOM 0 HG22 THR A 83 21.032 -9.397 -1.888 1.00 14.22 H new ATOM 0 HG23 THR A 83 22.160 -10.287 -0.838 1.00 14.22 H new ATOM 1403 N LEU A 84 21.293 -10.942 1.015 1.00 12.30 N ATOM 1404 CA LEU A 84 21.845 -10.222 2.150 1.00 41.42 C ATOM 1405 C LEU A 84 23.366 -10.139 2.005 1.00 70.04 C ATOM 1406 O LEU A 84 24.082 -11.059 2.397 1.00 75.43 O ATOM 1407 CB LEU A 84 21.386 -10.858 3.463 1.00 24.32 C ATOM 1408 CG LEU A 84 21.223 -9.906 4.649 1.00 1.33 C ATOM 1409 CD1 LEU A 84 19.782 -9.404 4.755 1.00 13.01 C ATOM 1410 CD2 LEU A 84 21.699 -10.560 5.948 1.00 71.22 C ATOM 0 H LEU A 84 21.894 -11.677 0.643 1.00 12.30 H new ATOM 0 HA LEU A 84 21.470 -9.199 2.171 1.00 41.42 H new ATOM 0 HB2 LEU A 84 20.432 -11.356 3.288 1.00 24.32 H new ATOM 0 HB3 LEU A 84 22.103 -11.631 3.739 1.00 24.32 H new ATOM 0 HG LEU A 84 21.856 -9.035 4.477 1.00 1.33 H new ATOM 0 HD11 LEU A 84 19.694 -8.729 5.606 1.00 13.01 H new ATOM 0 HD12 LEU A 84 19.514 -8.873 3.842 1.00 13.01 H new ATOM 0 HD13 LEU A 84 19.111 -10.252 4.893 1.00 13.01 H new ATOM 0 HD21 LEU A 84 21.572 -9.861 6.775 1.00 71.22 H new ATOM 0 HD22 LEU A 84 21.113 -11.459 6.139 1.00 71.22 H new ATOM 0 HD23 LEU A 84 22.752 -10.826 5.857 1.00 71.22 H new ATOM 1422 N PRO A 85 23.827 -8.998 1.425 1.00 31.31 N ATOM 1423 CA PRO A 85 25.250 -8.783 1.223 1.00 33.42 C ATOM 1424 C PRO A 85 25.944 -8.435 2.541 1.00 22.54 C ATOM 1425 O PRO A 85 25.287 -8.083 3.519 1.00 32.25 O ATOM 1426 CB PRO A 85 25.337 -7.669 0.193 1.00 0.25 C ATOM 1427 CG PRO A 85 23.979 -6.985 0.203 1.00 63.53 C ATOM 1428 CD PRO A 85 23.009 -7.887 0.948 1.00 11.14 C ATOM 0 HA PRO A 85 25.765 -9.676 0.868 1.00 33.42 H new ATOM 0 HB2 PRO A 85 26.131 -6.965 0.445 1.00 0.25 H new ATOM 0 HB3 PRO A 85 25.566 -8.068 -0.795 1.00 0.25 H new ATOM 0 HG2 PRO A 85 24.045 -6.012 0.689 1.00 63.53 H new ATOM 0 HG3 PRO A 85 23.632 -6.810 -0.815 1.00 63.53 H new ATOM 0 HD2 PRO A 85 22.535 -7.360 1.776 1.00 11.14 H new ATOM 0 HD3 PRO A 85 22.210 -8.236 0.293 1.00 11.14 H new ATOM 1436 N PRO A 86 27.299 -8.549 2.525 1.00 63.34 N ATOM 1437 CA PRO A 86 28.090 -8.251 3.706 1.00 1.33 C ATOM 1438 C PRO A 86 28.185 -6.741 3.935 1.00 1.15 C ATOM 1439 O PRO A 86 27.969 -5.955 3.015 1.00 54.25 O ATOM 1440 CB PRO A 86 29.441 -8.899 3.450 1.00 51.32 C ATOM 1441 CG PRO A 86 29.512 -9.135 1.950 1.00 51.42 C ATOM 1442 CD PRO A 86 28.112 -8.964 1.384 1.00 15.33 C ATOM 0 HA PRO A 86 27.644 -8.642 4.620 1.00 1.33 H new ATOM 0 HB2 PRO A 86 30.253 -8.253 3.783 1.00 51.32 H new ATOM 0 HB3 PRO A 86 29.535 -9.837 3.998 1.00 51.32 H new ATOM 0 HG2 PRO A 86 30.200 -8.429 1.485 1.00 51.42 H new ATOM 0 HG3 PRO A 86 29.890 -10.135 1.739 1.00 51.42 H new ATOM 0 HD2 PRO A 86 28.094 -8.216 0.592 1.00 15.33 H new ATOM 0 HD3 PRO A 86 27.743 -9.894 0.952 1.00 15.33 H new ATOM 1450 N THR A 87 28.509 -6.381 5.169 1.00 63.13 N ATOM 1451 CA THR A 87 28.636 -4.979 5.531 1.00 72.55 C ATOM 1452 C THR A 87 29.930 -4.396 4.960 1.00 70.11 C ATOM 1453 O THR A 87 30.081 -3.179 4.873 1.00 53.55 O ATOM 1454 CB THR A 87 28.542 -4.874 7.054 1.00 73.11 C ATOM 1455 OG1 THR A 87 29.069 -3.583 7.346 1.00 40.01 O ATOM 1456 CG2 THR A 87 29.494 -5.836 7.767 1.00 3.34 C ATOM 0 H THR A 87 28.687 -7.036 5.930 1.00 63.13 H new ATOM 0 HA THR A 87 27.831 -4.384 5.100 1.00 72.55 H new ATOM 0 HB THR A 87 27.519 -5.077 7.369 1.00 73.11 H new ATOM 0 HG1 THR A 87 29.044 -3.431 8.314 1.00 40.01 H new ATOM 0 HG21 THR A 87 29.387 -5.721 8.846 1.00 3.34 H new ATOM 0 HG22 THR A 87 29.253 -6.861 7.486 1.00 3.34 H new ATOM 0 HG23 THR A 87 30.521 -5.612 7.478 1.00 3.34 H new ATOM 1464 N ALA A 88 30.831 -5.293 4.586 1.00 2.43 N ATOM 1465 CA ALA A 88 32.108 -4.882 4.026 1.00 33.14 C ATOM 1466 C ALA A 88 31.931 -4.574 2.538 1.00 4.43 C ATOM 1467 O ALA A 88 32.681 -3.779 1.972 1.00 14.15 O ATOM 1468 CB ALA A 88 33.150 -5.974 4.276 1.00 34.31 C ATOM 0 H ALA A 88 30.702 -6.302 4.660 1.00 2.43 H new ATOM 0 HA ALA A 88 32.466 -3.973 4.510 1.00 33.14 H new ATOM 0 HB1 ALA A 88 34.108 -5.666 3.856 1.00 34.31 H new ATOM 0 HB2 ALA A 88 33.259 -6.134 5.349 1.00 34.31 H new ATOM 0 HB3 ALA A 88 32.827 -6.901 3.802 1.00 34.31 H new ATOM 1474 N ALA A 89 30.937 -5.218 1.947 1.00 74.52 N ATOM 1475 CA ALA A 89 30.652 -5.023 0.535 1.00 4.12 C ATOM 1476 C ALA A 89 30.583 -3.524 0.236 1.00 23.02 C ATOM 1477 O ALA A 89 29.949 -2.769 0.972 1.00 71.33 O ATOM 1478 CB ALA A 89 29.357 -5.751 0.169 1.00 3.25 C ATOM 0 H ALA A 89 30.318 -5.876 2.420 1.00 74.52 H new ATOM 0 HA ALA A 89 31.447 -5.446 -0.079 1.00 4.12 H new ATOM 0 HB1 ALA A 89 29.144 -5.604 -0.890 1.00 3.25 H new ATOM 0 HB2 ALA A 89 29.468 -6.816 0.373 1.00 3.25 H new ATOM 0 HB3 ALA A 89 28.535 -5.352 0.763 1.00 3.25 H new ATOM 1484 N LEU A 90 31.245 -3.138 -0.845 1.00 12.43 N ATOM 1485 CA LEU A 90 31.266 -1.742 -1.250 1.00 64.41 C ATOM 1486 C LEU A 90 30.037 -1.447 -2.112 1.00 20.04 C ATOM 1487 O LEU A 90 29.693 -2.228 -2.997 1.00 33.41 O ATOM 1488 CB LEU A 90 32.592 -1.404 -1.934 1.00 45.30 C ATOM 1489 CG LEU A 90 33.192 -0.037 -1.596 1.00 32.23 C ATOM 1490 CD1 LEU A 90 33.439 0.096 -0.092 1.00 24.32 C ATOM 1491 CD2 LEU A 90 34.461 0.222 -2.411 1.00 14.05 C ATOM 0 H LEU A 90 31.770 -3.767 -1.452 1.00 12.43 H new ATOM 0 HA LEU A 90 31.208 -1.091 -0.378 1.00 64.41 H new ATOM 0 HB2 LEU A 90 33.319 -2.173 -1.672 1.00 45.30 H new ATOM 0 HB3 LEU A 90 32.446 -1.458 -3.013 1.00 45.30 H new ATOM 0 HG LEU A 90 32.470 0.731 -1.873 1.00 32.23 H new ATOM 0 HD11 LEU A 90 33.866 1.076 0.121 1.00 24.32 H new ATOM 0 HD12 LEU A 90 32.496 -0.013 0.443 1.00 24.32 H new ATOM 0 HD13 LEU A 90 34.132 -0.680 0.233 1.00 24.32 H new ATOM 0 HD21 LEU A 90 34.867 1.200 -2.152 1.00 14.05 H new ATOM 0 HD22 LEU A 90 35.200 -0.548 -2.189 1.00 14.05 H new ATOM 0 HD23 LEU A 90 34.222 0.199 -3.474 1.00 14.05 H new ATOM 1503 N MET A 91 29.409 -0.317 -1.822 1.00 32.10 N ATOM 1504 CA MET A 91 28.225 0.091 -2.559 1.00 41.31 C ATOM 1505 C MET A 91 28.553 0.329 -4.035 1.00 33.43 C ATOM 1506 O MET A 91 27.651 0.469 -4.860 1.00 22.04 O ATOM 1507 CB MET A 91 27.661 1.376 -1.948 1.00 71.53 C ATOM 1508 CG MET A 91 27.425 1.210 -0.446 1.00 15.23 C ATOM 1509 SD MET A 91 26.458 -0.259 -0.138 1.00 2.33 S ATOM 1510 CE MET A 91 24.856 0.304 -0.686 1.00 75.04 C ATOM 0 H MET A 91 29.698 0.329 -1.087 1.00 32.10 H new ATOM 0 HA MET A 91 27.486 -0.708 -2.494 1.00 41.31 H new ATOM 0 HB2 MET A 91 28.353 2.200 -2.122 1.00 71.53 H new ATOM 0 HB3 MET A 91 26.724 1.637 -2.441 1.00 71.53 H new ATOM 0 HG2 MET A 91 28.380 1.143 0.075 1.00 15.23 H new ATOM 0 HG3 MET A 91 26.908 2.085 -0.052 1.00 15.23 H new ATOM 0 HE1 MET A 91 24.097 -0.425 -0.401 1.00 75.04 H new ATOM 0 HE2 MET A 91 24.630 1.264 -0.222 1.00 75.04 H new ATOM 0 HE3 MET A 91 24.861 0.417 -1.770 1.00 75.04 H new ATOM 1520 N SER A 92 29.846 0.366 -4.322 1.00 55.12 N ATOM 1521 CA SER A 92 30.303 0.584 -5.684 1.00 24.01 C ATOM 1522 C SER A 92 30.321 -0.741 -6.448 1.00 64.33 C ATOM 1523 O SER A 92 29.878 -0.807 -7.594 1.00 24.42 O ATOM 1524 CB SER A 92 31.692 1.226 -5.702 1.00 10.11 C ATOM 1525 OG SER A 92 32.714 0.297 -5.351 1.00 2.32 O ATOM 0 H SER A 92 30.591 0.249 -3.635 1.00 55.12 H new ATOM 0 HA SER A 92 29.609 1.268 -6.173 1.00 24.01 H new ATOM 0 HB2 SER A 92 31.893 1.628 -6.695 1.00 10.11 H new ATOM 0 HB3 SER A 92 31.712 2.066 -5.008 1.00 10.11 H new ATOM 0 HG SER A 92 33.591 0.722 -5.453 1.00 2.32 H new ATOM 1531 N ALA A 93 30.838 -1.764 -5.783 1.00 64.14 N ATOM 1532 CA ALA A 93 30.920 -3.084 -6.386 1.00 0.12 C ATOM 1533 C ALA A 93 29.532 -3.727 -6.386 1.00 15.53 C ATOM 1534 O ALA A 93 29.171 -4.435 -7.325 1.00 3.33 O ATOM 1535 CB ALA A 93 31.952 -3.926 -5.633 1.00 42.21 C ATOM 0 H ALA A 93 31.204 -1.706 -4.833 1.00 64.14 H new ATOM 0 HA ALA A 93 31.251 -3.013 -7.422 1.00 0.12 H new ATOM 0 HB1 ALA A 93 32.014 -4.916 -6.085 1.00 42.21 H new ATOM 0 HB2 ALA A 93 32.927 -3.441 -5.687 1.00 42.21 H new ATOM 0 HB3 ALA A 93 31.652 -4.022 -4.589 1.00 42.21 H new ATOM 1541 N ILE A 94 28.790 -3.457 -5.322 1.00 13.53 N ATOM 1542 CA ILE A 94 27.449 -4.000 -5.187 1.00 13.41 C ATOM 1543 C ILE A 94 26.552 -3.409 -6.277 1.00 62.53 C ATOM 1544 O ILE A 94 26.021 -4.140 -7.112 1.00 64.24 O ATOM 1545 CB ILE A 94 26.920 -3.776 -3.769 1.00 22.24 C ATOM 1546 CG1 ILE A 94 27.794 -4.494 -2.738 1.00 62.33 C ATOM 1547 CG2 ILE A 94 25.451 -4.188 -3.660 1.00 15.20 C ATOM 1548 CD1 ILE A 94 27.558 -6.006 -2.777 1.00 42.52 C ATOM 0 H ILE A 94 29.092 -2.869 -4.545 1.00 13.53 H new ATOM 0 HA ILE A 94 27.460 -5.080 -5.332 1.00 13.41 H new ATOM 0 HB ILE A 94 26.973 -2.710 -3.550 1.00 22.24 H new ATOM 0 HG12 ILE A 94 28.845 -4.281 -2.935 1.00 62.33 H new ATOM 0 HG13 ILE A 94 27.573 -4.113 -1.741 1.00 62.33 H new ATOM 0 HG21 ILE A 94 25.100 -4.019 -2.642 1.00 15.20 H new ATOM 0 HG22 ILE A 94 24.854 -3.595 -4.353 1.00 15.20 H new ATOM 0 HG23 ILE A 94 25.350 -5.245 -3.907 1.00 15.20 H new ATOM 0 HD11 ILE A 94 28.191 -6.492 -2.035 1.00 42.52 H new ATOM 0 HD12 ILE A 94 26.512 -6.217 -2.556 1.00 42.52 H new ATOM 0 HD13 ILE A 94 27.803 -6.387 -3.768 1.00 42.52 H new ATOM 1560 N TYR A 95 26.411 -2.093 -6.234 1.00 41.24 N ATOM 1561 CA TYR A 95 25.588 -1.396 -7.208 1.00 70.23 C ATOM 1562 C TYR A 95 26.030 -1.726 -8.636 1.00 34.24 C ATOM 1563 O TYR A 95 25.253 -1.583 -9.578 1.00 75.33 O ATOM 1564 CB TYR A 95 25.804 0.097 -6.953 1.00 24.45 C ATOM 1565 CG TYR A 95 25.144 1.008 -7.989 1.00 62.32 C ATOM 1566 CD1 TYR A 95 25.645 1.068 -9.274 1.00 3.13 C ATOM 1567 CD2 TYR A 95 24.047 1.769 -7.640 1.00 3.21 C ATOM 1568 CE1 TYR A 95 25.024 1.926 -10.249 1.00 71.44 C ATOM 1569 CE2 TYR A 95 23.426 2.627 -8.616 1.00 31.33 C ATOM 1570 CZ TYR A 95 23.945 2.663 -9.872 1.00 71.32 C ATOM 1571 OH TYR A 95 23.358 3.473 -10.794 1.00 30.52 O ATOM 0 H TYR A 95 26.853 -1.490 -5.540 1.00 41.24 H new ATOM 0 HA TYR A 95 24.543 -1.690 -7.107 1.00 70.23 H new ATOM 0 HB2 TYR A 95 25.416 0.346 -5.966 1.00 24.45 H new ATOM 0 HB3 TYR A 95 26.875 0.301 -6.935 1.00 24.45 H new ATOM 0 HD1 TYR A 95 26.503 0.471 -9.548 1.00 3.13 H new ATOM 0 HD2 TYR A 95 23.654 1.721 -6.635 1.00 3.21 H new ATOM 0 HE1 TYR A 95 25.406 1.983 -11.257 1.00 71.44 H new ATOM 0 HE2 TYR A 95 22.567 3.228 -8.356 1.00 31.33 H new ATOM 0 HH TYR A 95 22.596 3.009 -11.199 1.00 30.52 H new ATOM 1581 N GLN A 96 27.276 -2.161 -8.750 1.00 32.34 N ATOM 1582 CA GLN A 96 27.830 -2.513 -10.046 1.00 41.20 C ATOM 1583 C GLN A 96 27.172 -3.788 -10.576 1.00 63.35 C ATOM 1584 O GLN A 96 26.945 -3.920 -11.778 1.00 54.11 O ATOM 1585 CB GLN A 96 29.350 -2.671 -9.968 1.00 32.42 C ATOM 1586 CG GLN A 96 30.060 -1.450 -10.556 1.00 74.31 C ATOM 1587 CD GLN A 96 31.478 -1.319 -9.997 1.00 51.35 C ATOM 1588 OE1 GLN A 96 31.913 -0.257 -9.582 1.00 63.23 O ATOM 1589 NE2 GLN A 96 32.172 -2.453 -10.010 1.00 72.22 N ATOM 0 H GLN A 96 27.918 -2.278 -7.966 1.00 32.34 H new ATOM 0 HA GLN A 96 27.618 -1.702 -10.743 1.00 41.20 H new ATOM 0 HB2 GLN A 96 29.652 -2.806 -8.929 1.00 32.42 H new ATOM 0 HB3 GLN A 96 29.654 -3.568 -10.508 1.00 32.42 H new ATOM 0 HG2 GLN A 96 30.100 -1.536 -11.642 1.00 74.31 H new ATOM 0 HG3 GLN A 96 29.491 -0.549 -10.328 1.00 74.31 H new ATOM 0 HE21 GLN A 96 31.747 -3.307 -10.372 1.00 72.22 H new ATOM 0 HE22 GLN A 96 33.129 -2.469 -9.658 1.00 72.22 H new ATOM 1598 N GLU A 97 26.885 -4.695 -9.655 1.00 25.55 N ATOM 1599 CA GLU A 97 26.258 -5.956 -10.014 1.00 43.14 C ATOM 1600 C GLU A 97 24.809 -5.986 -9.526 1.00 13.00 C ATOM 1601 O GLU A 97 24.097 -6.965 -9.744 1.00 31.24 O ATOM 1602 CB GLU A 97 27.049 -7.141 -9.457 1.00 4.22 C ATOM 1603 CG GLU A 97 28.355 -7.341 -10.229 1.00 50.42 C ATOM 1604 CD GLU A 97 29.038 -8.647 -9.822 1.00 25.52 C ATOM 1605 OE1 GLU A 97 28.404 -9.511 -9.198 1.00 12.45 O ATOM 1606 OE2 GLU A 97 30.274 -8.750 -10.178 1.00 22.44 O ATOM 0 H GLU A 97 27.075 -4.582 -8.659 1.00 25.55 H new ATOM 0 HA GLU A 97 26.257 -6.042 -11.101 1.00 43.14 H new ATOM 0 HB2 GLU A 97 27.268 -6.973 -8.403 1.00 4.22 H new ATOM 0 HB3 GLU A 97 26.445 -8.046 -9.517 1.00 4.22 H new ATOM 0 HG2 GLU A 97 28.151 -7.352 -11.300 1.00 50.42 H new ATOM 0 HG3 GLU A 97 29.025 -6.502 -10.041 1.00 50.42 H new ATOM 1614 N HIS A 98 24.414 -4.901 -8.875 1.00 25.51 N ATOM 1615 CA HIS A 98 23.063 -4.791 -8.354 1.00 35.41 C ATOM 1616 C HIS A 98 22.281 -3.759 -9.169 1.00 72.53 C ATOM 1617 O HIS A 98 21.051 -3.776 -9.182 1.00 51.34 O ATOM 1618 CB HIS A 98 23.081 -4.474 -6.857 1.00 43.34 C ATOM 1619 CG HIS A 98 23.230 -5.689 -5.973 1.00 62.15 C ATOM 1620 ND1 HIS A 98 22.165 -6.507 -5.637 1.00 43.52 N ATOM 1621 CD2 HIS A 98 24.329 -6.217 -5.362 1.00 1.24 C ATOM 1622 CE1 HIS A 98 22.614 -7.479 -4.857 1.00 43.40 C ATOM 1623 NE2 HIS A 98 23.955 -7.297 -4.687 1.00 25.10 N ATOM 0 H HIS A 98 25.007 -4.090 -8.697 1.00 25.51 H new ATOM 0 HA HIS A 98 22.551 -5.748 -8.457 1.00 35.41 H new ATOM 0 HB2 HIS A 98 23.901 -3.786 -6.652 1.00 43.34 H new ATOM 0 HB3 HIS A 98 22.158 -3.958 -6.594 1.00 43.34 H new ATOM 0 HD2 HIS A 98 25.333 -5.823 -5.418 1.00 1.24 H new ATOM 0 HE1 HIS A 98 22.022 -8.276 -4.431 1.00 43.40 H new ATOM 0 HE2 HIS A 98 24.569 -7.893 -4.132 1.00 25.10 H new ATOM 1631 N LYS A 99 23.027 -2.886 -9.830 1.00 32.40 N ATOM 1632 CA LYS A 99 22.419 -1.849 -10.646 1.00 42.00 C ATOM 1633 C LYS A 99 21.291 -2.458 -11.481 1.00 32.15 C ATOM 1634 O LYS A 99 21.402 -3.590 -11.949 1.00 34.13 O ATOM 1635 CB LYS A 99 23.483 -1.132 -11.480 1.00 53.30 C ATOM 1636 CG LYS A 99 22.869 -0.515 -12.738 1.00 55.42 C ATOM 1637 CD LYS A 99 22.918 -1.496 -13.911 1.00 23.32 C ATOM 1638 CE LYS A 99 24.330 -1.583 -14.494 1.00 2.41 C ATOM 1639 NZ LYS A 99 24.297 -2.183 -15.846 1.00 75.12 N ATOM 0 H LYS A 99 24.047 -2.876 -9.817 1.00 32.40 H new ATOM 0 HA LYS A 99 21.970 -1.082 -10.015 1.00 42.00 H new ATOM 0 HB2 LYS A 99 23.955 -0.353 -10.882 1.00 53.30 H new ATOM 0 HB3 LYS A 99 24.266 -1.837 -11.761 1.00 53.30 H new ATOM 0 HG2 LYS A 99 21.835 -0.231 -12.540 1.00 55.42 H new ATOM 0 HG3 LYS A 99 23.406 0.397 -12.999 1.00 55.42 H new ATOM 0 HD2 LYS A 99 22.597 -2.483 -13.578 1.00 23.32 H new ATOM 0 HD3 LYS A 99 22.220 -1.178 -14.685 1.00 23.32 H new ATOM 0 HE2 LYS A 99 24.772 -0.588 -14.542 1.00 2.41 H new ATOM 0 HE3 LYS A 99 24.964 -2.182 -13.840 1.00 2.41 H new ATOM 0 HZ1 LYS A 99 25.263 -2.234 -16.227 1.00 75.12 H new ATOM 0 HZ2 LYS A 99 23.895 -3.141 -15.791 1.00 75.12 H new ATOM 0 HZ3 LYS A 99 23.709 -1.596 -16.472 1.00 75.12 H new ATOM 1652 N ASP A 100 20.231 -1.680 -11.641 1.00 75.03 N ATOM 1653 CA ASP A 100 19.083 -2.129 -12.411 1.00 52.32 C ATOM 1654 C ASP A 100 19.091 -1.442 -13.778 1.00 42.14 C ATOM 1655 O ASP A 100 19.981 -0.645 -14.071 1.00 41.21 O ATOM 1656 CB ASP A 100 17.773 -1.767 -11.709 1.00 12.15 C ATOM 1657 CG ASP A 100 16.597 -2.697 -12.014 1.00 30.12 C ATOM 1658 OD1 ASP A 100 16.706 -3.926 -11.890 1.00 61.15 O ATOM 1659 OD2 ASP A 100 15.518 -2.104 -12.399 1.00 1.35 O ATOM 0 H ASP A 100 20.143 -0.742 -11.251 1.00 75.03 H new ATOM 0 HA ASP A 100 19.150 -3.212 -12.515 1.00 52.32 H new ATOM 0 HB2 ASP A 100 17.944 -1.764 -10.633 1.00 12.15 H new ATOM 0 HB3 ASP A 100 17.496 -0.751 -11.991 1.00 12.15 H new ATOM 1665 N LYS A 101 18.090 -1.776 -14.579 1.00 70.21 N ATOM 1666 CA LYS A 101 17.971 -1.202 -15.908 1.00 51.34 C ATOM 1667 C LYS A 101 17.642 0.288 -15.788 1.00 31.31 C ATOM 1668 O LYS A 101 17.815 1.044 -16.742 1.00 41.40 O ATOM 1669 CB LYS A 101 16.960 -1.989 -16.744 1.00 34.31 C ATOM 1670 CG LYS A 101 17.546 -3.329 -17.195 1.00 51.40 C ATOM 1671 CD LYS A 101 16.836 -3.843 -18.449 1.00 63.20 C ATOM 1672 CE LYS A 101 17.018 -5.355 -18.600 1.00 52.24 C ATOM 1673 NZ LYS A 101 16.244 -5.856 -19.758 1.00 60.30 N ATOM 0 H LYS A 101 17.354 -2.437 -14.333 1.00 70.21 H new ATOM 0 HA LYS A 101 18.919 -1.278 -16.441 1.00 51.34 H new ATOM 0 HB2 LYS A 101 16.056 -2.162 -16.160 1.00 34.31 H new ATOM 0 HB3 LYS A 101 16.669 -1.403 -17.616 1.00 34.31 H new ATOM 0 HG2 LYS A 101 18.611 -3.215 -17.397 1.00 51.40 H new ATOM 0 HG3 LYS A 101 17.450 -4.061 -16.393 1.00 51.40 H new ATOM 0 HD2 LYS A 101 15.774 -3.604 -18.394 1.00 63.20 H new ATOM 0 HD3 LYS A 101 17.231 -3.336 -19.329 1.00 63.20 H new ATOM 0 HE2 LYS A 101 18.074 -5.589 -18.732 1.00 52.24 H new ATOM 0 HE3 LYS A 101 16.691 -5.859 -17.691 1.00 52.24 H new ATOM 0 HZ1 LYS A 101 16.378 -6.883 -19.847 1.00 60.30 H new ATOM 0 HZ2 LYS A 101 15.235 -5.649 -19.616 1.00 60.30 H new ATOM 0 HZ3 LYS A 101 16.575 -5.387 -20.626 1.00 60.30 H new ATOM 1686 N ASP A 102 17.173 0.664 -14.607 1.00 62.22 N ATOM 1687 CA ASP A 102 16.818 2.049 -14.350 1.00 4.24 C ATOM 1688 C ASP A 102 18.037 2.788 -13.792 1.00 34.11 C ATOM 1689 O ASP A 102 18.058 4.017 -13.754 1.00 12.12 O ATOM 1690 CB ASP A 102 15.693 2.147 -13.318 1.00 21.23 C ATOM 1691 CG ASP A 102 16.147 2.078 -11.858 1.00 55.30 C ATOM 1692 OD1 ASP A 102 17.266 1.639 -11.557 1.00 62.30 O ATOM 1693 OD2 ASP A 102 15.285 2.506 -10.999 1.00 14.22 O ATOM 0 H ASP A 102 17.031 0.034 -13.818 1.00 62.22 H new ATOM 0 HA ASP A 102 16.486 2.492 -15.289 1.00 4.24 H new ATOM 0 HB2 ASP A 102 15.159 3.084 -13.473 1.00 21.23 H new ATOM 0 HB3 ASP A 102 14.982 1.341 -13.500 1.00 21.23 H new ATOM 1699 N GLY A 103 19.022 2.007 -13.373 1.00 74.02 N ATOM 1700 CA GLY A 103 20.241 2.572 -12.819 1.00 75.34 C ATOM 1701 C GLY A 103 20.222 2.523 -11.290 1.00 70.22 C ATOM 1702 O GLY A 103 21.145 1.995 -10.671 1.00 52.22 O ATOM 0 H GLY A 103 19.001 0.988 -13.406 1.00 74.02 H new ATOM 0 HA2 GLY A 103 21.104 2.022 -13.193 1.00 75.34 H new ATOM 0 HA3 GLY A 103 20.352 3.604 -13.152 1.00 75.34 H new ATOM 1706 N PHE A 104 19.161 3.080 -10.725 1.00 1.00 N ATOM 1707 CA PHE A 104 19.010 3.107 -9.280 1.00 63.40 C ATOM 1708 C PHE A 104 19.190 1.709 -8.684 1.00 73.22 C ATOM 1709 O PHE A 104 19.255 0.722 -9.416 1.00 13.04 O ATOM 1710 CB PHE A 104 17.590 3.594 -8.988 1.00 11.34 C ATOM 1711 CG PHE A 104 17.523 5.021 -8.439 1.00 15.00 C ATOM 1712 CD1 PHE A 104 17.792 5.259 -7.127 1.00 75.42 C ATOM 1713 CD2 PHE A 104 17.194 6.052 -9.263 1.00 74.42 C ATOM 1714 CE1 PHE A 104 17.729 6.583 -6.618 1.00 60.31 C ATOM 1715 CE2 PHE A 104 17.131 7.376 -8.754 1.00 61.31 C ATOM 1716 CZ PHE A 104 17.400 7.613 -7.442 1.00 42.44 C ATOM 0 H PHE A 104 18.397 3.516 -11.242 1.00 1.00 H new ATOM 0 HA PHE A 104 19.763 3.760 -8.839 1.00 63.40 H new ATOM 0 HB2 PHE A 104 17.003 3.540 -9.905 1.00 11.34 H new ATOM 0 HB3 PHE A 104 17.125 2.917 -8.271 1.00 11.34 H new ATOM 0 HD1 PHE A 104 18.054 4.441 -6.472 1.00 75.42 H new ATOM 0 HD2 PHE A 104 16.981 5.863 -10.305 1.00 74.42 H new ATOM 0 HE1 PHE A 104 17.942 6.772 -5.576 1.00 60.31 H new ATOM 0 HE2 PHE A 104 16.870 8.194 -9.408 1.00 61.31 H new ATOM 0 HZ PHE A 104 17.352 8.620 -7.055 1.00 42.44 H new ATOM 1726 N LEU A 105 19.265 1.669 -7.362 1.00 54.10 N ATOM 1727 CA LEU A 105 19.435 0.409 -6.660 1.00 22.34 C ATOM 1728 C LEU A 105 18.193 0.131 -5.811 1.00 30.42 C ATOM 1729 O LEU A 105 17.764 0.982 -5.034 1.00 1.40 O ATOM 1730 CB LEU A 105 20.739 0.414 -5.859 1.00 32.24 C ATOM 1731 CG LEU A 105 21.534 -0.893 -5.864 1.00 23.14 C ATOM 1732 CD1 LEU A 105 21.760 -1.392 -7.292 1.00 75.31 C ATOM 1733 CD2 LEU A 105 22.849 -0.738 -5.097 1.00 1.42 C ATOM 0 H LEU A 105 19.211 2.490 -6.758 1.00 54.10 H new ATOM 0 HA LEU A 105 19.527 -0.413 -7.370 1.00 22.34 H new ATOM 0 HB2 LEU A 105 21.378 1.206 -6.248 1.00 32.24 H new ATOM 0 HB3 LEU A 105 20.506 0.671 -4.826 1.00 32.24 H new ATOM 0 HG LEU A 105 20.947 -1.652 -5.347 1.00 23.14 H new ATOM 0 HD11 LEU A 105 22.327 -2.322 -7.267 1.00 75.31 H new ATOM 0 HD12 LEU A 105 20.798 -1.567 -7.773 1.00 75.31 H new ATOM 0 HD13 LEU A 105 22.316 -0.643 -7.855 1.00 75.31 H new ATOM 0 HD21 LEU A 105 23.395 -1.681 -5.116 1.00 1.42 H new ATOM 0 HD22 LEU A 105 23.453 0.040 -5.564 1.00 1.42 H new ATOM 0 HD23 LEU A 105 22.637 -0.462 -4.064 1.00 1.42 H new ATOM 1745 N TYR A 106 17.650 -1.065 -5.988 1.00 11.11 N ATOM 1746 CA TYR A 106 16.465 -1.466 -5.248 1.00 4.10 C ATOM 1747 C TYR A 106 16.832 -2.392 -4.087 1.00 32.42 C ATOM 1748 O TYR A 106 17.358 -3.484 -4.301 1.00 12.41 O ATOM 1749 CB TYR A 106 15.588 -2.233 -6.240 1.00 4.24 C ATOM 1750 CG TYR A 106 15.031 -1.370 -7.374 1.00 33.35 C ATOM 1751 CD1 TYR A 106 15.884 -0.833 -8.315 1.00 43.45 C ATOM 1752 CD2 TYR A 106 13.674 -1.130 -7.455 1.00 2.14 C ATOM 1753 CE1 TYR A 106 15.359 -0.021 -9.383 1.00 5.23 C ATOM 1754 CE2 TYR A 106 13.149 -0.318 -8.522 1.00 23.11 C ATOM 1755 CZ TYR A 106 14.018 0.196 -9.433 1.00 52.43 C ATOM 1756 OH TYR A 106 13.522 0.963 -10.441 1.00 42.13 O ATOM 0 H TYR A 106 18.009 -1.769 -6.633 1.00 11.11 H new ATOM 0 HA TYR A 106 15.960 -0.595 -4.830 1.00 4.10 H new ATOM 0 HB2 TYR A 106 16.171 -3.048 -6.670 1.00 4.24 H new ATOM 0 HB3 TYR A 106 14.757 -2.686 -5.700 1.00 4.24 H new ATOM 0 HD1 TYR A 106 16.946 -1.021 -8.251 1.00 43.45 H new ATOM 0 HD2 TYR A 106 13.006 -1.551 -6.718 1.00 2.14 H new ATOM 0 HE1 TYR A 106 16.016 0.405 -10.127 1.00 5.23 H new ATOM 0 HE2 TYR A 106 12.090 -0.122 -8.597 1.00 23.11 H new ATOM 0 HH TYR A 106 13.901 1.865 -10.383 1.00 42.13 H new ATOM 1766 N VAL A 107 16.539 -1.924 -2.883 1.00 4.43 N ATOM 1767 CA VAL A 107 16.831 -2.697 -1.687 1.00 45.54 C ATOM 1768 C VAL A 107 15.724 -2.471 -0.656 1.00 72.23 C ATOM 1769 O VAL A 107 14.930 -1.541 -0.786 1.00 53.13 O ATOM 1770 CB VAL A 107 18.222 -2.338 -1.159 1.00 51.11 C ATOM 1771 CG1 VAL A 107 19.147 -1.908 -2.299 1.00 64.21 C ATOM 1772 CG2 VAL A 107 18.137 -1.253 -0.083 1.00 72.43 C ATOM 0 H VAL A 107 16.102 -1.019 -2.709 1.00 4.43 H new ATOM 0 HA VAL A 107 16.849 -3.763 -1.916 1.00 45.54 H new ATOM 0 HB VAL A 107 18.647 -3.231 -0.701 1.00 51.11 H new ATOM 0 HG11 VAL A 107 20.129 -1.658 -1.897 1.00 64.21 H new ATOM 0 HG12 VAL A 107 19.245 -2.724 -3.015 1.00 64.21 H new ATOM 0 HG13 VAL A 107 18.727 -1.035 -2.799 1.00 64.21 H new ATOM 0 HG21 VAL A 107 19.139 -1.017 0.275 1.00 72.43 H new ATOM 0 HG22 VAL A 107 17.682 -0.357 -0.505 1.00 72.43 H new ATOM 0 HG23 VAL A 107 17.530 -1.612 0.748 1.00 72.43 H new ATOM 1782 N THR A 108 15.706 -3.339 0.345 1.00 1.40 N ATOM 1783 CA THR A 108 14.709 -3.246 1.398 1.00 71.01 C ATOM 1784 C THR A 108 15.222 -3.908 2.678 1.00 3.32 C ATOM 1785 O THR A 108 15.751 -5.018 2.639 1.00 40.43 O ATOM 1786 CB THR A 108 13.410 -3.862 0.874 1.00 10.13 C ATOM 1787 OG1 THR A 108 13.293 -3.351 -0.451 1.00 12.13 O ATOM 1788 CG2 THR A 108 12.173 -3.320 1.594 1.00 42.45 C ATOM 0 H THR A 108 16.366 -4.110 0.449 1.00 1.40 H new ATOM 0 HA THR A 108 14.510 -2.208 1.664 1.00 71.01 H new ATOM 0 HB THR A 108 13.450 -4.945 0.988 1.00 10.13 H new ATOM 0 HG1 THR A 108 12.571 -3.820 -0.920 1.00 12.13 H new ATOM 0 HG21 THR A 108 11.279 -3.789 1.184 1.00 42.45 H new ATOM 0 HG22 THR A 108 12.245 -3.543 2.659 1.00 42.45 H new ATOM 0 HG23 THR A 108 12.113 -2.241 1.453 1.00 42.45 H new ATOM 1796 N TYR A 109 15.048 -3.198 3.784 1.00 64.24 N ATOM 1797 CA TYR A 109 15.488 -3.703 5.074 1.00 55.35 C ATOM 1798 C TYR A 109 14.293 -4.119 5.935 1.00 44.01 C ATOM 1799 O TYR A 109 13.146 -4.007 5.507 1.00 13.50 O ATOM 1800 CB TYR A 109 16.213 -2.541 5.756 1.00 70.22 C ATOM 1801 CG TYR A 109 15.440 -1.221 5.726 1.00 61.22 C ATOM 1802 CD1 TYR A 109 14.220 -1.121 6.363 1.00 31.22 C ATOM 1803 CD2 TYR A 109 15.963 -0.130 5.061 1.00 32.43 C ATOM 1804 CE1 TYR A 109 13.492 0.121 6.335 1.00 45.21 C ATOM 1805 CE2 TYR A 109 15.235 1.112 5.033 1.00 4.01 C ATOM 1806 CZ TYR A 109 14.036 1.177 5.671 1.00 21.53 C ATOM 1807 OH TYR A 109 13.349 2.350 5.645 1.00 61.14 O ATOM 0 H TYR A 109 14.609 -2.278 3.813 1.00 64.24 H new ATOM 0 HA TYR A 109 16.126 -4.577 4.948 1.00 55.35 H new ATOM 0 HB2 TYR A 109 16.413 -2.810 6.793 1.00 70.22 H new ATOM 0 HB3 TYR A 109 17.179 -2.395 5.273 1.00 70.22 H new ATOM 0 HD1 TYR A 109 13.811 -1.975 6.883 1.00 31.22 H new ATOM 0 HD2 TYR A 109 16.918 -0.208 4.562 1.00 32.43 H new ATOM 0 HE1 TYR A 109 12.536 0.212 6.830 1.00 45.21 H new ATOM 0 HE2 TYR A 109 15.633 1.973 4.517 1.00 4.01 H new ATOM 0 HH TYR A 109 12.813 2.433 6.461 1.00 61.14 H new ATOM 1817 N SER A 110 14.605 -4.591 7.133 1.00 72.21 N ATOM 1818 CA SER A 110 13.572 -5.025 8.058 1.00 13.11 C ATOM 1819 C SER A 110 14.180 -5.284 9.438 1.00 41.01 C ATOM 1820 O SER A 110 15.193 -5.972 9.554 1.00 30.14 O ATOM 1821 CB SER A 110 12.865 -6.281 7.545 1.00 21.22 C ATOM 1822 OG SER A 110 13.704 -7.431 7.613 1.00 44.13 O ATOM 0 H SER A 110 15.558 -4.682 7.484 1.00 72.21 H new ATOM 0 HA SER A 110 12.830 -4.231 8.138 1.00 13.11 H new ATOM 0 HB2 SER A 110 11.963 -6.455 8.132 1.00 21.22 H new ATOM 0 HB3 SER A 110 12.549 -6.123 6.514 1.00 21.22 H new ATOM 0 HG SER A 110 13.803 -7.709 8.548 1.00 44.13 H new ATOM 1828 N GLY A 111 13.536 -4.719 10.449 1.00 44.13 N ATOM 1829 CA GLY A 111 14.001 -4.880 11.816 1.00 63.12 C ATOM 1830 C GLY A 111 14.318 -6.346 12.118 1.00 64.10 C ATOM 1831 O GLY A 111 15.102 -6.643 13.018 1.00 2.44 O ATOM 0 H GLY A 111 12.696 -4.149 10.349 1.00 44.13 H new ATOM 0 HA2 GLY A 111 14.891 -4.271 11.975 1.00 63.12 H new ATOM 0 HA3 GLY A 111 13.240 -4.519 12.508 1.00 63.12 H new ATOM 1835 N GLU A 112 13.693 -7.224 11.348 1.00 31.41 N ATOM 1836 CA GLU A 112 13.899 -8.652 11.522 1.00 35.20 C ATOM 1837 C GLU A 112 14.797 -9.199 10.410 1.00 13.53 C ATOM 1838 O GLU A 112 14.904 -8.597 9.343 1.00 70.55 O ATOM 1839 CB GLU A 112 12.563 -9.397 11.564 1.00 70.43 C ATOM 1840 CG GLU A 112 12.729 -10.785 12.187 1.00 74.14 C ATOM 1841 CD GLU A 112 13.330 -10.688 13.590 1.00 42.10 C ATOM 1842 OE1 GLU A 112 14.332 -11.358 13.883 1.00 52.32 O ATOM 1843 OE2 GLU A 112 12.720 -9.880 14.390 1.00 63.41 O ATOM 0 H GLU A 112 13.044 -6.974 10.602 1.00 31.41 H new ATOM 0 HA GLU A 112 14.398 -8.813 12.477 1.00 35.20 H new ATOM 0 HB2 GLU A 112 11.839 -8.820 12.139 1.00 70.43 H new ATOM 0 HB3 GLU A 112 12.164 -9.493 10.554 1.00 70.43 H new ATOM 0 HG2 GLU A 112 11.761 -11.284 12.236 1.00 74.14 H new ATOM 0 HG3 GLU A 112 13.371 -11.397 11.554 1.00 74.14 H new ATOM 1851 N ASN A 113 15.419 -10.332 10.699 1.00 11.13 N ATOM 1852 CA ASN A 113 16.304 -10.966 9.737 1.00 4.13 C ATOM 1853 C ASN A 113 15.523 -12.019 8.949 1.00 24.40 C ATOM 1854 O ASN A 113 15.745 -13.217 9.119 1.00 61.34 O ATOM 1855 CB ASN A 113 17.468 -11.668 10.439 1.00 5.34 C ATOM 1856 CG ASN A 113 18.614 -11.941 9.462 1.00 12.34 C ATOM 1857 OD1 ASN A 113 19.669 -11.331 9.516 1.00 0.34 O ATOM 1858 ND2 ASN A 113 18.348 -12.889 8.569 1.00 51.04 N ATOM 0 H ASN A 113 15.328 -10.828 11.586 1.00 11.13 H new ATOM 0 HA ASN A 113 16.695 -10.192 9.077 1.00 4.13 H new ATOM 0 HB2 ASN A 113 17.827 -11.050 11.262 1.00 5.34 H new ATOM 0 HB3 ASN A 113 17.123 -12.607 10.872 1.00 5.34 H new ATOM 0 HD21 ASN A 113 19.048 -13.145 7.873 1.00 51.04 H new ATOM 0 HD22 ASN A 113 17.444 -13.360 8.580 1.00 51.04 H new ATOM 1865 N THR A 114 14.625 -11.535 8.104 1.00 5.40 N ATOM 1866 CA THR A 114 13.810 -12.419 7.289 1.00 25.41 C ATOM 1867 C THR A 114 13.860 -11.989 5.822 1.00 71.23 C ATOM 1868 O THR A 114 14.157 -10.835 5.519 1.00 4.43 O ATOM 1869 CB THR A 114 12.396 -12.430 7.872 1.00 51.30 C ATOM 1870 OG1 THR A 114 12.134 -11.062 8.172 1.00 41.40 O ATOM 1871 CG2 THR A 114 12.328 -13.129 9.231 1.00 12.13 C ATOM 0 H THR A 114 14.444 -10.541 7.966 1.00 5.40 H new ATOM 0 HA THR A 114 14.192 -13.440 7.309 1.00 25.41 H new ATOM 0 HB THR A 114 11.720 -12.926 7.175 1.00 51.30 H new ATOM 0 HG1 THR A 114 11.235 -10.977 8.554 1.00 41.40 H new ATOM 0 HG21 THR A 114 11.302 -13.109 9.600 1.00 12.13 H new ATOM 0 HG22 THR A 114 12.655 -14.163 9.125 1.00 12.13 H new ATOM 0 HG23 THR A 114 12.978 -12.614 9.938 1.00 12.13 H new ATOM 1879 N PHE A 115 13.564 -12.941 4.949 1.00 53.10 N ATOM 1880 CA PHE A 115 13.571 -12.675 3.520 1.00 14.05 C ATOM 1881 C PHE A 115 12.165 -12.336 3.019 1.00 23.10 C ATOM 1882 O PHE A 115 11.971 -12.078 1.832 1.00 24.01 O ATOM 1883 CB PHE A 115 14.051 -13.953 2.830 1.00 42.21 C ATOM 1884 CG PHE A 115 15.356 -14.515 3.399 1.00 53.40 C ATOM 1885 CD1 PHE A 115 16.551 -14.092 2.906 1.00 55.30 C ATOM 1886 CD2 PHE A 115 15.320 -15.437 4.398 1.00 43.02 C ATOM 1887 CE1 PHE A 115 17.761 -14.613 3.434 1.00 22.11 C ATOM 1888 CE2 PHE A 115 16.531 -15.958 4.926 1.00 71.31 C ATOM 1889 CZ PHE A 115 17.726 -15.535 4.433 1.00 32.40 C ATOM 0 H PHE A 115 13.318 -13.898 5.204 1.00 53.10 H new ATOM 0 HA PHE A 115 14.220 -11.827 3.302 1.00 14.05 H new ATOM 0 HB2 PHE A 115 13.274 -14.712 2.913 1.00 42.21 H new ATOM 0 HB3 PHE A 115 14.187 -13.751 1.768 1.00 42.21 H new ATOM 0 HD1 PHE A 115 16.579 -13.360 2.113 1.00 55.30 H new ATOM 0 HD2 PHE A 115 14.371 -15.773 4.790 1.00 43.02 H new ATOM 0 HE1 PHE A 115 18.710 -14.277 3.042 1.00 22.11 H new ATOM 0 HE2 PHE A 115 16.503 -16.690 5.719 1.00 71.31 H new ATOM 0 HZ PHE A 115 18.647 -15.931 4.835 1.00 32.40 H new ATOM 1899 N GLY A 116 11.221 -12.348 3.948 1.00 2.35 N ATOM 1900 CA GLY A 116 9.840 -12.045 3.616 1.00 54.23 C ATOM 1901 C GLY A 116 8.948 -13.274 3.805 1.00 51.30 C ATOM 1902 O GLY A 116 9.153 -14.300 3.158 1.00 3.43 O ATOM 0 H GLY A 116 11.386 -12.563 4.931 1.00 2.35 H new ATOM 0 HA2 GLY A 116 9.481 -11.231 4.245 1.00 54.23 H new ATOM 0 HA3 GLY A 116 9.777 -11.701 2.584 1.00 54.23 H new TER 1906 GLY A 116