USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 971 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0646 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 157:sc= -3.91! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 15 CYS SG : rot 170:sc= -0.714 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 18 MET CE :methyl -134:sc= -1.06 (180deg=-4.74!) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.122 (180deg=-0.597) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-1.6) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 79:sc= 0.00528 USER MOD Single : A 35 HIS : no HE2:sc= -2.48 K(o=-2.5,f=-6.3) USER MOD Single : A 37 TYR OH : rot 165:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.0776 (180deg=-0.406) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00241 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -83:sc= 0.325 USER MOD Single : A 58 GLN : amide:sc= -0.0987 X(o=-0.099,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.68 K(o=-1.7,f=-1.2) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 88:sc= 0.0837 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 87 MET CE :methyl -129:sc= -1.55 (180deg=-5.06!) USER MOD Single : A 90 GLN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= -0.026 (180deg=-0.239) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.2) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.010 -4.666 -2.425 1.00 42.31 N ATOM 2 CA GLY A 1 -1.519 -3.349 -2.760 1.00 53.12 C ATOM 3 C GLY A 1 -2.068 -3.282 -4.171 1.00 15.32 C ATOM 4 O GLY A 1 -1.839 -4.170 -4.992 1.00 30.13 O ATOM 0 H1 GLY A 1 -1.545 -5.051 -1.621 1.00 42.31 H new ATOM 0 H2 GLY A 1 -1.115 -5.297 -3.245 1.00 42.31 H new ATOM 0 H3 GLY A 1 -0.004 -4.595 -2.169 1.00 42.31 H new ATOM 0 HA2 GLY A 1 -2.304 -3.076 -2.055 1.00 53.12 H new ATOM 0 HA3 GLY A 1 -0.721 -2.615 -2.649 1.00 53.12 H new ATOM 8 N PRO A 2 -2.813 -2.207 -4.469 1.00 31.21 N ATOM 9 CA PRO A 2 -3.413 -2.001 -5.791 1.00 52.14 C ATOM 10 C PRO A 2 -2.369 -1.697 -6.861 1.00 61.23 C ATOM 11 O PRO A 2 -1.210 -1.423 -6.550 1.00 11.13 O ATOM 12 CB PRO A 2 -4.330 -0.795 -5.581 1.00 12.20 C ATOM 13 CG PRO A 2 -3.733 -0.060 -4.431 1.00 2.10 C ATOM 14 CD PRO A 2 -3.127 -1.109 -3.540 1.00 41.33 C ATOM 0 HA PRO A 2 -3.932 -2.891 -6.146 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -4.371 -0.169 -6.472 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -5.351 -1.108 -5.364 1.00 12.20 H new ATOM 0 HG2 PRO A 2 -2.977 0.648 -4.770 1.00 2.10 H new ATOM 0 HG3 PRO A 2 -4.491 0.514 -3.898 1.00 2.10 H new ATOM 0 HD2 PRO A 2 -2.233 -0.741 -3.037 1.00 41.33 H new ATOM 0 HD3 PRO A 2 -3.822 -1.427 -2.763 1.00 41.33 H new ATOM 22 N GLY A 3 -2.788 -1.745 -8.121 1.00 13.22 N ATOM 23 CA GLY A 3 -1.877 -1.472 -9.217 1.00 45.42 C ATOM 24 C GLY A 3 -1.578 0.007 -9.367 1.00 62.35 C ATOM 25 O GLY A 3 -2.357 0.747 -9.968 1.00 22.31 O ATOM 0 H GLY A 3 -3.743 -1.968 -8.403 1.00 13.22 H new ATOM 0 HA2 GLY A 3 -0.945 -2.013 -9.054 1.00 45.42 H new ATOM 0 HA3 GLY A 3 -2.307 -1.849 -10.145 1.00 45.42 H new ATOM 29 N SER A 4 -0.447 0.440 -8.819 1.00 25.24 N ATOM 30 CA SER A 4 -0.049 1.841 -8.889 1.00 42.22 C ATOM 31 C SER A 4 0.481 2.186 -10.277 1.00 24.33 C ATOM 32 O SER A 4 0.146 3.228 -10.840 1.00 52.03 O ATOM 33 CB SER A 4 1.015 2.145 -7.834 1.00 72.23 C ATOM 34 OG SER A 4 0.443 2.223 -6.540 1.00 52.43 O ATOM 0 H SER A 4 0.210 -0.160 -8.321 1.00 25.24 H new ATOM 0 HA SER A 4 -0.929 2.453 -8.693 1.00 42.22 H new ATOM 0 HB2 SER A 4 1.780 1.369 -7.851 1.00 72.23 H new ATOM 0 HB3 SER A 4 1.510 3.086 -8.073 1.00 72.23 H new ATOM 0 HG SER A 4 1.144 2.417 -5.883 1.00 52.43 H new ATOM 40 N MET A 5 1.309 1.302 -10.824 1.00 41.54 N ATOM 41 CA MET A 5 1.885 1.511 -12.147 1.00 62.03 C ATOM 42 C MET A 5 0.946 1.003 -13.236 1.00 45.23 C ATOM 43 O MET A 5 0.563 -0.167 -13.241 1.00 4.24 O ATOM 44 CB MET A 5 3.239 0.807 -12.254 1.00 51.55 C ATOM 45 CG MET A 5 4.120 1.350 -13.368 1.00 30.02 C ATOM 46 SD MET A 5 5.111 2.763 -12.842 1.00 52.10 S ATOM 47 CE MET A 5 6.136 3.015 -14.289 1.00 3.41 C ATOM 0 H MET A 5 1.596 0.434 -10.371 1.00 41.54 H new ATOM 0 HA MET A 5 2.029 2.582 -12.288 1.00 62.03 H new ATOM 0 HB2 MET A 5 3.766 0.905 -11.305 1.00 51.55 H new ATOM 0 HB3 MET A 5 3.074 -0.258 -12.419 1.00 51.55 H new ATOM 0 HG2 MET A 5 4.781 0.559 -13.722 1.00 30.02 H new ATOM 0 HG3 MET A 5 3.494 1.643 -14.211 1.00 30.02 H new ATOM 0 HE1 MET A 5 6.806 3.858 -14.118 1.00 3.41 H new ATOM 0 HE2 MET A 5 6.724 2.117 -14.479 1.00 3.41 H new ATOM 0 HE3 MET A 5 5.503 3.224 -15.151 1.00 3.41 H new ATOM 57 N SER A 6 0.580 1.888 -14.157 1.00 44.34 N ATOM 58 CA SER A 6 -0.318 1.529 -15.248 1.00 64.43 C ATOM 59 C SER A 6 0.468 1.023 -16.454 1.00 62.14 C ATOM 60 O SER A 6 1.138 1.794 -17.141 1.00 73.31 O ATOM 61 CB SER A 6 -1.173 2.732 -15.650 1.00 31.11 C ATOM 62 OG SER A 6 -1.944 3.199 -14.557 1.00 14.24 O ATOM 0 H SER A 6 0.892 2.859 -14.170 1.00 44.34 H new ATOM 0 HA SER A 6 -0.971 0.729 -14.900 1.00 64.43 H new ATOM 0 HB2 SER A 6 -0.530 3.533 -16.014 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.833 2.454 -16.472 1.00 31.11 H new ATOM 0 HG SER A 6 -2.480 3.969 -14.840 1.00 14.24 H new ATOM 68 N VAL A 7 0.380 -0.279 -16.705 1.00 10.34 N ATOM 69 CA VAL A 7 1.082 -0.891 -17.828 1.00 2.44 C ATOM 70 C VAL A 7 0.137 -1.133 -19.000 1.00 5.32 C ATOM 71 O VAL A 7 -1.050 -1.401 -18.810 1.00 24.25 O ATOM 72 CB VAL A 7 1.734 -2.226 -17.423 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.559 -2.787 -18.572 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.591 -2.044 -16.180 1.00 43.52 C ATOM 0 H VAL A 7 -0.170 -0.931 -16.146 1.00 10.34 H new ATOM 0 HA VAL A 7 1.862 -0.193 -18.132 1.00 2.44 H new ATOM 0 HB VAL A 7 0.945 -2.941 -17.191 1.00 52.12 H new ATOM 0 HG11 VAL A 7 3.012 -3.730 -18.268 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.914 -2.956 -19.434 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.342 -2.077 -18.838 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.044 -2.997 -15.908 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.375 -1.314 -16.382 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.969 -1.690 -15.358 1.00 43.52 H new ATOM 84 N THR A 8 0.672 -1.038 -20.214 1.00 15.13 N ATOM 85 CA THR A 8 -0.124 -1.247 -21.417 1.00 55.12 C ATOM 86 C THR A 8 0.308 -2.513 -22.148 1.00 32.31 C ATOM 87 O THR A 8 1.483 -2.682 -22.475 1.00 11.22 O ATOM 88 CB THR A 8 -0.011 -0.049 -22.379 1.00 32.32 C ATOM 89 OG1 THR A 8 0.040 1.173 -21.635 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.191 -0.015 -23.340 1.00 55.11 C ATOM 0 H THR A 8 1.652 -0.818 -20.389 1.00 15.13 H new ATOM 0 HA THR A 8 -1.161 -1.351 -21.097 1.00 55.12 H new ATOM 0 HB THR A 8 0.906 -0.160 -22.958 1.00 32.32 H new ATOM 0 HG1 THR A 8 0.114 1.930 -22.253 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.090 0.839 -24.010 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.211 -0.935 -23.925 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.118 0.075 -22.774 1.00 55.11 H new ATOM 98 N ILE A 9 -0.650 -3.399 -22.402 1.00 40.31 N ATOM 99 CA ILE A 9 -0.368 -4.649 -23.096 1.00 3.44 C ATOM 100 C ILE A 9 -1.070 -4.697 -24.449 1.00 62.44 C ATOM 101 O ILE A 9 -2.214 -4.264 -24.582 1.00 5.32 O ATOM 102 CB ILE A 9 -0.804 -5.868 -22.261 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.557 -7.162 -23.040 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.271 -5.747 -21.875 1.00 54.44 C ATOM 105 CD1 ILE A 9 -0.821 -8.413 -22.231 1.00 32.30 C ATOM 0 H ILE A 9 -1.627 -3.274 -22.138 1.00 40.31 H new ATOM 0 HA ILE A 9 0.711 -4.689 -23.247 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.209 -5.897 -21.348 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.193 -7.171 -23.926 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.476 -7.175 -23.389 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.565 -6.615 -21.285 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.419 -4.842 -21.286 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -2.882 -5.697 -22.777 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.626 -9.292 -22.846 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.167 -8.427 -21.359 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -1.861 -8.422 -21.904 1.00 32.30 H new ATOM 117 N TYR A 10 -0.376 -5.226 -25.451 1.00 4.54 N ATOM 118 CA TYR A 10 -0.932 -5.331 -26.794 1.00 30.24 C ATOM 119 C TYR A 10 -1.679 -6.649 -26.975 1.00 22.21 C ATOM 120 O TYR A 10 -1.338 -7.658 -26.359 1.00 41.11 O ATOM 121 CB TYR A 10 0.179 -5.215 -27.839 1.00 22.32 C ATOM 122 CG TYR A 10 -0.292 -4.662 -29.166 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.835 -5.496 -30.135 1.00 54.11 C ATOM 124 CD2 TYR A 10 -0.193 -3.306 -29.449 1.00 15.21 C ATOM 125 CE1 TYR A 10 -1.265 -4.995 -31.349 1.00 20.31 C ATOM 126 CE2 TYR A 10 -0.623 -2.796 -30.658 1.00 22.30 C ATOM 127 CZ TYR A 10 -1.157 -3.645 -31.605 1.00 60.44 C ATOM 128 OH TYR A 10 -1.586 -3.141 -32.813 1.00 41.33 O ATOM 0 H TYR A 10 0.573 -5.589 -25.358 1.00 4.54 H new ATOM 0 HA TYR A 10 -1.639 -4.513 -26.931 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.969 -4.574 -27.448 1.00 22.32 H new ATOM 0 HB3 TYR A 10 0.618 -6.199 -28.001 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -0.923 -6.554 -29.936 1.00 54.11 H new ATOM 0 HD2 TYR A 10 0.227 -2.639 -28.711 1.00 15.21 H new ATOM 0 HE1 TYR A 10 -1.683 -5.657 -32.093 1.00 20.31 H new ATOM 0 HE2 TYR A 10 -0.542 -1.738 -30.861 1.00 22.30 H new ATOM 0 HH TYR A 10 -1.790 -2.187 -32.716 1.00 41.33 H new ATOM 138 N GLY A 11 -2.702 -6.630 -27.824 1.00 41.24 N ATOM 139 CA GLY A 11 -3.483 -7.828 -28.071 1.00 3.41 C ATOM 140 C GLY A 11 -4.201 -7.788 -29.406 1.00 42.14 C ATOM 141 O GLY A 11 -4.170 -6.773 -30.103 1.00 61.14 O ATOM 0 H GLY A 11 -3.004 -5.807 -28.345 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.827 -8.698 -28.041 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -4.214 -7.952 -27.272 1.00 3.41 H new ATOM 145 N ILE A 12 -4.846 -8.892 -29.762 1.00 0.23 N ATOM 146 CA ILE A 12 -5.575 -8.979 -31.022 1.00 21.20 C ATOM 147 C ILE A 12 -6.886 -9.736 -30.848 1.00 0.25 C ATOM 148 O ILE A 12 -7.066 -10.478 -29.882 1.00 72.24 O ATOM 149 CB ILE A 12 -4.735 -9.672 -32.111 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.519 -11.146 -31.759 1.00 34.24 C ATOM 151 CG2 ILE A 12 -3.400 -8.963 -32.283 1.00 63.31 C ATOM 152 CD1 ILE A 12 -3.709 -11.900 -32.788 1.00 42.40 C ATOM 0 H ILE A 12 -4.879 -9.740 -29.196 1.00 0.23 H new ATOM 0 HA ILE A 12 -5.788 -7.957 -31.334 1.00 21.20 H new ATOM 0 HB ILE A 12 -5.277 -9.618 -33.055 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.016 -11.211 -30.794 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.489 -11.630 -31.646 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -2.818 -9.465 -33.056 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -3.573 -7.927 -32.574 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -2.851 -8.988 -31.342 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -3.596 -12.937 -32.473 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -4.221 -11.867 -33.750 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -2.725 -11.441 -32.884 1.00 42.40 H new ATOM 164 N LYS A 13 -7.802 -9.545 -31.792 1.00 73.52 N ATOM 165 CA LYS A 13 -9.099 -10.212 -31.746 1.00 71.53 C ATOM 166 C LYS A 13 -8.957 -11.699 -32.057 1.00 42.41 C ATOM 167 O LYS A 13 -8.159 -12.091 -32.907 1.00 70.40 O ATOM 168 CB LYS A 13 -10.065 -9.562 -32.740 1.00 10.01 C ATOM 169 CG LYS A 13 -9.556 -9.562 -34.171 1.00 12.21 C ATOM 170 CD LYS A 13 -10.644 -9.152 -35.149 1.00 11.45 C ATOM 171 CE LYS A 13 -11.632 -10.283 -35.390 1.00 71.10 C ATOM 172 NZ LYS A 13 -12.466 -10.043 -36.600 1.00 71.14 N ATOM 0 H LYS A 13 -7.670 -8.934 -32.598 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.499 -10.106 -30.738 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -11.019 -10.087 -32.703 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.254 -8.534 -32.431 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -8.711 -8.879 -34.258 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -9.190 -10.556 -34.428 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -11.173 -8.281 -34.762 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -10.191 -8.855 -36.095 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -11.089 -11.221 -35.504 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -12.278 -10.392 -34.519 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -13.126 -10.836 -36.730 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -13.004 -9.161 -36.482 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -11.851 -9.964 -37.435 1.00 71.14 H new ATOM 186 N ASN A 14 -9.738 -12.520 -31.364 1.00 14.55 N ATOM 187 CA ASN A 14 -9.699 -13.965 -31.567 1.00 43.33 C ATOM 188 C ASN A 14 -8.331 -14.529 -31.197 1.00 4.54 C ATOM 189 O ASN A 14 -7.675 -15.178 -32.013 1.00 13.15 O ATOM 190 CB ASN A 14 -10.027 -14.304 -33.022 1.00 12.44 C ATOM 191 CG ASN A 14 -10.685 -15.664 -33.164 1.00 1.15 C ATOM 192 OD1 ASN A 14 -11.712 -15.937 -32.544 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.092 -16.523 -33.985 1.00 4.23 N ATOM 0 H ASN A 14 -10.405 -12.211 -30.657 1.00 14.55 H new ATOM 0 HA ASN A 14 -10.447 -14.420 -30.917 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -10.688 -13.539 -33.431 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -9.111 -14.283 -33.613 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -10.487 -17.453 -34.122 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -9.241 -16.253 -34.478 1.00 4.23 H new ATOM 200 N CYS A 15 -7.908 -14.280 -29.963 1.00 13.42 N ATOM 201 CA CYS A 15 -6.618 -14.764 -29.484 1.00 5.12 C ATOM 202 C CYS A 15 -6.795 -15.682 -28.280 1.00 45.42 C ATOM 203 O CYS A 15 -7.833 -15.662 -27.618 1.00 62.11 O ATOM 204 CB CYS A 15 -5.713 -13.587 -29.115 1.00 22.14 C ATOM 205 SG CYS A 15 -3.951 -13.907 -29.354 1.00 2.24 S ATOM 0 H CYS A 15 -8.439 -13.746 -29.276 1.00 13.42 H new ATOM 0 HA CYS A 15 -6.151 -15.334 -30.287 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -5.998 -12.722 -29.713 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.885 -13.324 -28.071 1.00 22.14 H new ATOM 0 HG CYS A 15 -3.287 -12.797 -29.223 1.00 2.24 H new ATOM 211 N ASP A 16 -5.776 -16.489 -28.003 1.00 14.03 N ATOM 212 CA ASP A 16 -5.819 -17.416 -26.878 1.00 11.23 C ATOM 213 C ASP A 16 -4.776 -17.045 -25.828 1.00 34.34 C ATOM 214 O ASP A 16 -5.088 -16.931 -24.641 1.00 45.12 O ATOM 215 CB ASP A 16 -5.586 -18.848 -27.361 1.00 50.21 C ATOM 216 CG ASP A 16 -4.609 -18.917 -28.519 1.00 54.43 C ATOM 217 OD1 ASP A 16 -5.046 -18.743 -29.675 1.00 34.04 O ATOM 218 OD2 ASP A 16 -3.407 -19.146 -28.269 1.00 34.14 O ATOM 0 H ASP A 16 -4.911 -16.520 -28.542 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.807 -17.350 -26.422 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.208 -19.450 -26.535 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.537 -19.285 -27.665 1.00 50.21 H new ATOM 223 N THR A 17 -3.537 -16.857 -26.271 1.00 62.21 N ATOM 224 CA THR A 17 -2.450 -16.500 -25.370 1.00 10.24 C ATOM 225 C THR A 17 -2.819 -15.298 -24.509 1.00 43.54 C ATOM 226 O THR A 17 -2.388 -15.187 -23.362 1.00 32.13 O ATOM 227 CB THR A 17 -1.158 -16.182 -26.146 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.075 -15.978 -25.232 1.00 51.14 O ATOM 229 CG2 THR A 17 -1.337 -14.946 -27.014 1.00 13.05 C ATOM 0 H THR A 17 -3.262 -16.946 -27.249 1.00 62.21 H new ATOM 0 HA THR A 17 -2.278 -17.364 -24.728 1.00 10.24 H new ATOM 0 HB THR A 17 -0.932 -17.030 -26.793 1.00 64.53 H new ATOM 0 HG1 THR A 17 0.743 -15.778 -25.733 1.00 51.14 H new ATOM 0 HG21 THR A 17 -0.411 -14.742 -27.552 1.00 13.05 H new ATOM 0 HG22 THR A 17 -2.142 -15.117 -27.729 1.00 13.05 H new ATOM 0 HG23 THR A 17 -1.586 -14.092 -26.384 1.00 13.05 H new ATOM 237 N MET A 18 -3.621 -14.398 -25.071 1.00 61.22 N ATOM 238 CA MET A 18 -4.051 -13.204 -24.352 1.00 4.42 C ATOM 239 C MET A 18 -4.857 -13.576 -23.111 1.00 72.34 C ATOM 240 O MET A 18 -4.635 -13.034 -22.029 1.00 54.40 O ATOM 241 CB MET A 18 -4.885 -12.306 -25.266 1.00 41.43 C ATOM 242 CG MET A 18 -4.074 -11.630 -26.361 1.00 42.31 C ATOM 243 SD MET A 18 -2.895 -10.432 -25.711 1.00 61.21 S ATOM 244 CE MET A 18 -3.988 -9.325 -24.824 1.00 35.43 C ATOM 0 H MET A 18 -3.985 -14.473 -26.021 1.00 61.22 H new ATOM 0 HA MET A 18 -3.161 -12.661 -24.035 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.674 -12.902 -25.725 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.373 -11.541 -24.662 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.538 -12.388 -26.932 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.751 -11.129 -27.053 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.730 -8.293 -25.060 1.00 35.43 H new ATOM 0 HE2 MET A 18 -5.019 -9.518 -25.119 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.881 -9.490 -23.752 1.00 35.43 H new ATOM 254 N LYS A 19 -5.793 -14.504 -23.276 1.00 34.45 N ATOM 255 CA LYS A 19 -6.631 -14.950 -22.170 1.00 44.21 C ATOM 256 C LYS A 19 -5.779 -15.405 -20.991 1.00 43.12 C ATOM 257 O LYS A 19 -5.980 -14.964 -19.858 1.00 22.52 O ATOM 258 CB LYS A 19 -7.545 -16.091 -22.624 1.00 42.21 C ATOM 259 CG LYS A 19 -8.715 -16.341 -21.690 1.00 0.44 C ATOM 260 CD LYS A 19 -9.954 -16.782 -22.451 1.00 30.12 C ATOM 261 CE LYS A 19 -9.805 -18.199 -22.984 1.00 54.50 C ATOM 262 NZ LYS A 19 -9.541 -19.177 -21.892 1.00 12.14 N ATOM 0 H LYS A 19 -5.990 -14.962 -24.166 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.244 -14.108 -21.848 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.927 -15.865 -23.619 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.957 -17.005 -22.709 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.443 -17.105 -20.962 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.935 -15.432 -21.130 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.823 -16.728 -21.796 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -10.136 -16.098 -23.280 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.713 -18.484 -23.516 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -8.989 -18.232 -23.706 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -9.777 -20.135 -22.220 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -8.536 -19.140 -21.628 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -10.125 -18.940 -21.065 1.00 12.14 H new ATOM 276 N LYS A 20 -4.826 -16.289 -21.261 1.00 34.44 N ATOM 277 CA LYS A 20 -3.940 -16.804 -20.223 1.00 13.54 C ATOM 278 C LYS A 20 -3.137 -15.674 -19.586 1.00 54.33 C ATOM 279 O LYS A 20 -3.041 -15.580 -18.363 1.00 71.32 O ATOM 280 CB LYS A 20 -2.991 -17.853 -20.806 1.00 51.40 C ATOM 281 CG LYS A 20 -3.704 -18.975 -21.542 1.00 41.13 C ATOM 282 CD LYS A 20 -2.846 -20.226 -21.615 1.00 21.45 C ATOM 283 CE LYS A 20 -2.874 -20.998 -20.304 1.00 33.50 C ATOM 284 NZ LYS A 20 -2.431 -22.410 -20.482 1.00 30.33 N ATOM 0 H LYS A 20 -4.646 -16.665 -22.192 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.555 -17.270 -19.453 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.298 -17.364 -21.490 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.395 -18.280 -20.000 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.642 -19.205 -21.036 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.957 -18.647 -22.550 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -3.201 -20.866 -22.423 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -1.819 -19.951 -21.855 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -2.229 -20.504 -19.578 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -3.884 -20.983 -19.895 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -2.464 -22.902 -19.566 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -3.062 -22.889 -21.156 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -1.458 -22.425 -20.848 1.00 30.33 H new ATOM 298 N ALA A 21 -2.560 -14.818 -20.424 1.00 53.12 N ATOM 299 CA ALA A 21 -1.769 -13.693 -19.943 1.00 1.22 C ATOM 300 C ALA A 21 -2.567 -12.838 -18.965 1.00 43.50 C ATOM 301 O ALA A 21 -2.108 -12.550 -17.859 1.00 22.15 O ATOM 302 CB ALA A 21 -1.284 -12.849 -21.112 1.00 20.30 C ATOM 0 H ALA A 21 -2.626 -14.883 -21.440 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.903 -14.091 -19.414 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.695 -12.012 -20.737 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.668 -13.460 -21.771 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.142 -12.469 -21.667 1.00 20.30 H new ATOM 308 N ARG A 22 -3.763 -12.433 -19.381 1.00 25.34 N ATOM 309 CA ARG A 22 -4.625 -11.609 -18.542 1.00 62.34 C ATOM 310 C ARG A 22 -4.935 -12.312 -17.223 1.00 32.15 C ATOM 311 O ARG A 22 -4.801 -11.725 -16.149 1.00 70.51 O ATOM 312 CB ARG A 22 -5.926 -11.282 -19.276 1.00 44.13 C ATOM 313 CG ARG A 22 -5.731 -10.392 -20.492 1.00 55.33 C ATOM 314 CD ARG A 22 -6.989 -9.595 -20.806 1.00 32.33 C ATOM 315 NE ARG A 22 -7.531 -9.926 -22.122 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.243 -11.020 -22.369 1.00 11.23 C ATOM 317 NH1 ARG A 22 -8.498 -11.883 -21.396 1.00 3.41 N ATOM 318 NH2 ARG A 22 -8.704 -11.251 -23.592 1.00 10.54 N ATOM 0 H ARG A 22 -4.157 -12.662 -20.294 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.096 -10.681 -18.323 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.400 -12.212 -19.589 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.611 -10.792 -18.584 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -4.901 -9.709 -20.315 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.462 -11.004 -21.353 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -7.743 -9.791 -20.043 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -6.763 -8.529 -20.764 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.353 -9.282 -22.893 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.147 -11.708 -20.454 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -9.045 -12.722 -21.589 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -8.512 -10.588 -24.343 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -9.251 -12.091 -23.781 1.00 10.54 H new ATOM 332 N ILE A 23 -5.348 -13.571 -17.315 1.00 34.41 N ATOM 333 CA ILE A 23 -5.677 -14.355 -16.129 1.00 74.45 C ATOM 334 C ILE A 23 -4.481 -14.455 -15.188 1.00 44.23 C ATOM 335 O ILE A 23 -4.639 -14.462 -13.967 1.00 42.13 O ATOM 336 CB ILE A 23 -6.142 -15.775 -16.504 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.383 -15.709 -17.396 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.427 -16.586 -15.249 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.521 -16.893 -18.328 1.00 52.43 C ATOM 0 H ILE A 23 -5.463 -14.071 -18.197 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.492 -13.837 -15.623 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.345 -16.269 -17.059 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.270 -15.647 -16.766 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.347 -14.794 -17.987 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.755 -17.587 -15.529 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.521 -16.656 -14.647 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.210 -16.097 -14.670 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.423 -16.779 -18.930 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.651 -16.944 -18.983 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.589 -17.810 -17.743 1.00 52.43 H new ATOM 351 N TRP A 24 -3.287 -14.531 -15.764 1.00 31.51 N ATOM 352 CA TRP A 24 -2.064 -14.629 -14.976 1.00 62.05 C ATOM 353 C TRP A 24 -1.813 -13.342 -14.198 1.00 74.25 C ATOM 354 O TRP A 24 -1.675 -13.361 -12.975 1.00 4.31 O ATOM 355 CB TRP A 24 -0.871 -14.932 -15.884 1.00 3.42 C ATOM 356 CG TRP A 24 0.207 -15.722 -15.206 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.325 -17.082 -15.167 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.316 -15.200 -14.467 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.441 -17.436 -14.449 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.068 -16.300 -14.009 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.750 -13.910 -14.150 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.225 -16.148 -13.250 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.899 -13.760 -13.397 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.627 -14.873 -12.955 1.00 64.41 C ATOM 0 H TRP A 24 -3.140 -14.527 -16.773 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.185 -15.444 -14.263 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.220 -15.482 -16.758 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.451 -13.993 -16.245 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.359 -17.777 -15.632 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.753 -18.391 -14.272 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.197 -13.046 -14.487 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.785 -17.005 -12.906 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 3.242 -12.767 -13.145 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.522 -14.722 -12.370 1.00 64.41 H new ATOM 375 N LEU A 25 -1.754 -12.225 -14.915 1.00 11.33 N ATOM 376 CA LEU A 25 -1.520 -10.928 -14.291 1.00 44.32 C ATOM 377 C LEU A 25 -2.618 -10.600 -13.284 1.00 51.32 C ATOM 378 O LEU A 25 -2.339 -10.191 -12.158 1.00 43.22 O ATOM 379 CB LEU A 25 -1.446 -9.832 -15.356 1.00 70.24 C ATOM 380 CG LEU A 25 -0.073 -9.601 -15.988 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.890 -9.011 -14.970 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.479 -10.902 -16.554 1.00 3.23 C ATOM 0 H LEU A 25 -1.865 -12.192 -15.928 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.569 -10.976 -13.761 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.152 -10.076 -16.149 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -1.780 -8.896 -14.909 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.186 -8.890 -16.807 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.862 -8.853 -15.437 1.00 21.14 H new ATOM 0 HD12 LEU A 25 0.501 -8.058 -14.611 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.998 -9.698 -14.131 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.457 -10.719 -17.000 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.577 -11.635 -15.753 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.201 -11.285 -17.315 1.00 3.23 H new ATOM 394 N GLU A 26 -3.868 -10.786 -13.699 1.00 61.23 N ATOM 395 CA GLU A 26 -5.008 -10.512 -12.832 1.00 64.31 C ATOM 396 C GLU A 26 -4.954 -11.373 -11.573 1.00 74.22 C ATOM 397 O GLU A 26 -5.171 -10.885 -10.465 1.00 53.23 O ATOM 398 CB GLU A 26 -6.318 -10.765 -13.581 1.00 32.45 C ATOM 399 CG GLU A 26 -6.601 -9.746 -14.673 1.00 31.13 C ATOM 400 CD GLU A 26 -7.681 -10.205 -15.632 1.00 44.21 C ATOM 401 OE1 GLU A 26 -7.445 -11.189 -16.365 1.00 13.03 O ATOM 402 OE2 GLU A 26 -8.763 -9.582 -15.652 1.00 61.24 O ATOM 0 H GLU A 26 -4.116 -11.125 -14.629 1.00 61.23 H new ATOM 0 HA GLU A 26 -4.963 -9.464 -12.536 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.287 -11.761 -14.024 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.142 -10.759 -12.867 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.903 -8.803 -14.216 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -5.684 -9.551 -15.230 1.00 31.13 H new ATOM 409 N ASP A 27 -4.665 -12.657 -11.755 1.00 34.31 N ATOM 410 CA ASP A 27 -4.582 -13.588 -10.635 1.00 72.41 C ATOM 411 C ASP A 27 -3.511 -13.149 -9.642 1.00 33.14 C ATOM 412 O ASP A 27 -3.735 -13.149 -8.430 1.00 3.11 O ATOM 413 CB ASP A 27 -4.280 -15.000 -11.139 1.00 42.32 C ATOM 414 CG ASP A 27 -3.866 -15.937 -10.021 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.520 -15.918 -8.957 1.00 71.12 O ATOM 416 OD2 ASP A 27 -2.889 -16.691 -10.212 1.00 45.10 O ATOM 0 H ASP A 27 -4.484 -13.077 -12.667 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.545 -13.591 -10.125 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.162 -15.401 -11.638 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.486 -14.955 -11.884 1.00 42.32 H new ATOM 421 N HIS A 28 -2.345 -12.777 -10.161 1.00 21.13 N ATOM 422 CA HIS A 28 -1.239 -12.335 -9.319 1.00 13.54 C ATOM 423 C HIS A 28 -1.609 -11.066 -8.557 1.00 43.42 C ATOM 424 O HIS A 28 -0.955 -10.706 -7.580 1.00 0.32 O ATOM 425 CB HIS A 28 0.009 -12.089 -10.169 1.00 14.43 C ATOM 426 CG HIS A 28 0.976 -13.233 -10.158 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.283 -13.109 -9.737 1.00 12.03 N ATOM 428 CD2 HIS A 28 0.819 -14.529 -10.516 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.889 -14.279 -9.840 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.022 -15.157 -10.310 1.00 21.13 N ATOM 0 H HIS A 28 -2.142 -12.773 -11.161 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.028 -13.122 -8.596 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.295 -11.891 -11.197 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.514 -11.193 -9.807 1.00 14.43 H new ATOM 0 HD2 HIS A 28 -0.085 -14.984 -10.893 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.918 -14.482 -9.583 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.215 -16.142 -10.491 1.00 21.13 H new ATOM 438 N GLY A 29 -2.660 -10.392 -9.014 1.00 43.32 N ATOM 439 CA GLY A 29 -3.097 -9.171 -8.364 1.00 61.30 C ATOM 440 C GLY A 29 -2.647 -7.928 -9.104 1.00 13.24 C ATOM 441 O GLY A 29 -2.594 -6.840 -8.530 1.00 52.32 O ATOM 0 H GLY A 29 -3.216 -10.670 -9.823 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.184 -9.172 -8.289 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.708 -9.145 -7.346 1.00 61.30 H new ATOM 445 N ILE A 30 -2.322 -8.087 -10.382 1.00 54.44 N ATOM 446 CA ILE A 30 -1.873 -6.968 -11.202 1.00 74.22 C ATOM 447 C ILE A 30 -2.947 -6.555 -12.203 1.00 61.31 C ATOM 448 O ILE A 30 -3.721 -7.386 -12.677 1.00 14.22 O ATOM 449 CB ILE A 30 -0.581 -7.311 -11.965 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.476 -7.857 -11.004 1.00 74.32 C ATOM 451 CG2 ILE A 30 -0.057 -6.085 -12.698 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.723 -8.358 -11.698 1.00 25.45 C ATOM 0 H ILE A 30 -2.361 -8.980 -10.873 1.00 54.44 H new ATOM 0 HA ILE A 30 -1.674 -6.139 -10.523 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.806 -8.082 -12.702 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.753 -7.074 -10.298 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.042 -8.671 -10.423 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.857 -6.344 -13.233 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.807 -5.738 -13.408 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.155 -5.294 -11.979 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.428 -8.730 -10.955 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.459 -9.163 -12.383 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.181 -7.542 -12.256 1.00 25.45 H new ATOM 464 N ASP A 31 -2.988 -5.265 -12.520 1.00 75.12 N ATOM 465 CA ASP A 31 -3.965 -4.741 -13.466 1.00 21.24 C ATOM 466 C ASP A 31 -3.274 -4.175 -14.703 1.00 75.12 C ATOM 467 O ASP A 31 -2.533 -3.195 -14.619 1.00 63.43 O ATOM 468 CB ASP A 31 -4.818 -3.658 -12.803 1.00 24.41 C ATOM 469 CG ASP A 31 -6.061 -3.328 -13.608 1.00 12.42 C ATOM 470 OD1 ASP A 31 -7.079 -4.032 -13.446 1.00 24.32 O ATOM 471 OD2 ASP A 31 -6.015 -2.363 -14.399 1.00 60.30 O ATOM 0 H ASP A 31 -2.355 -4.563 -12.135 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.611 -5.562 -13.776 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -5.111 -3.989 -11.807 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.220 -2.755 -12.676 1.00 24.41 H new ATOM 476 N TYR A 32 -3.521 -4.799 -15.850 1.00 1.34 N ATOM 477 CA TYR A 32 -2.921 -4.360 -17.104 1.00 14.55 C ATOM 478 C TYR A 32 -3.986 -3.857 -18.071 1.00 23.04 C ATOM 479 O TYR A 32 -5.092 -4.396 -18.133 1.00 43.04 O ATOM 480 CB TYR A 32 -2.133 -5.504 -17.744 1.00 44.01 C ATOM 481 CG TYR A 32 -0.670 -5.520 -17.363 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.270 -5.276 -16.055 1.00 2.21 C ATOM 483 CD2 TYR A 32 0.312 -5.777 -18.311 1.00 41.42 C ATOM 484 CE1 TYR A 32 1.066 -5.289 -15.703 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.651 -5.794 -17.967 1.00 0.12 C ATOM 486 CZ TYR A 32 2.022 -5.548 -16.662 1.00 70.01 C ATOM 487 OH TYR A 32 3.354 -5.563 -16.316 1.00 34.31 O ATOM 0 H TYR A 32 -4.133 -5.611 -15.937 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.240 -3.538 -16.884 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.586 -6.452 -17.454 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.216 -5.429 -18.828 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.016 -5.073 -15.301 1.00 2.21 H new ATOM 0 HD2 TYR A 32 0.025 -5.967 -19.335 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.360 -5.097 -14.682 1.00 1.10 H new ATOM 0 HE2 TYR A 32 2.402 -5.999 -18.716 1.00 0.12 H new ATOM 0 HH TYR A 32 3.896 -5.762 -17.108 1.00 34.31 H new ATOM 497 N THR A 33 -3.646 -2.819 -18.829 1.00 12.42 N ATOM 498 CA THR A 33 -4.572 -2.240 -19.795 1.00 70.00 C ATOM 499 C THR A 33 -4.563 -3.024 -21.102 1.00 44.51 C ATOM 500 O THR A 33 -3.540 -3.104 -21.782 1.00 22.54 O ATOM 501 CB THR A 33 -4.230 -0.768 -20.089 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.003 -0.063 -18.864 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.352 -0.097 -20.866 1.00 52.41 C ATOM 0 H THR A 33 -2.735 -2.362 -18.792 1.00 12.42 H new ATOM 0 HA THR A 33 -5.566 -2.291 -19.351 1.00 70.00 H new ATOM 0 HB THR A 33 -3.324 -0.743 -20.695 1.00 0.30 H new ATOM 0 HG1 THR A 33 -3.103 -0.265 -18.533 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.088 0.942 -21.062 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.502 -0.618 -21.812 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.272 -0.134 -20.282 1.00 52.41 H new ATOM 511 N PHE A 34 -5.709 -3.601 -21.450 1.00 20.02 N ATOM 512 CA PHE A 34 -5.832 -4.378 -22.677 1.00 51.35 C ATOM 513 C PHE A 34 -5.940 -3.463 -23.893 1.00 63.42 C ATOM 514 O PHE A 34 -6.900 -2.703 -24.029 1.00 51.44 O ATOM 515 CB PHE A 34 -7.055 -5.295 -22.604 1.00 74.40 C ATOM 516 CG PHE A 34 -7.358 -5.993 -23.899 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.412 -6.806 -24.501 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.590 -5.835 -24.513 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.689 -7.451 -25.692 1.00 11.43 C ATOM 520 CE2 PHE A 34 -8.872 -6.478 -25.705 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.920 -7.285 -26.295 1.00 71.33 C ATOM 0 H PHE A 34 -6.566 -3.545 -20.899 1.00 20.02 H new ATOM 0 HA PHE A 34 -4.935 -4.988 -22.783 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.893 -6.042 -21.827 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -7.923 -4.707 -22.305 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.447 -6.938 -24.035 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.338 -5.203 -24.056 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.943 -8.084 -26.150 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -9.836 -6.349 -26.174 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.138 -7.786 -27.227 1.00 71.33 H new ATOM 531 N HIS A 35 -4.948 -3.539 -24.774 1.00 30.12 N ATOM 532 CA HIS A 35 -4.931 -2.718 -25.979 1.00 4.21 C ATOM 533 C HIS A 35 -4.935 -3.590 -27.232 1.00 71.42 C ATOM 534 O HIS A 35 -3.919 -4.185 -27.589 1.00 23.35 O ATOM 535 CB HIS A 35 -3.703 -1.806 -25.983 1.00 32.13 C ATOM 536 CG HIS A 35 -3.493 -1.090 -27.281 1.00 2.30 C ATOM 537 ND1 HIS A 35 -2.928 -1.687 -28.388 1.00 73.35 N ATOM 538 CD2 HIS A 35 -3.778 0.182 -27.647 1.00 54.12 C ATOM 539 CE1 HIS A 35 -2.872 -0.814 -29.377 1.00 51.22 C ATOM 540 NE2 HIS A 35 -3.383 0.328 -28.954 1.00 32.22 N ATOM 0 H HIS A 35 -4.145 -4.161 -24.676 1.00 30.12 H new ATOM 0 HA HIS A 35 -5.831 -2.104 -25.982 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.804 -1.071 -25.184 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -2.818 -2.401 -25.759 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -2.604 -2.653 -28.436 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -4.232 0.941 -27.026 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -2.476 -1.002 -30.364 1.00 51.22 H new ATOM 548 N ASP A 36 -6.085 -3.661 -27.892 1.00 25.23 N ATOM 549 CA ASP A 36 -6.222 -4.460 -29.105 1.00 42.21 C ATOM 550 C ASP A 36 -5.927 -3.621 -30.345 1.00 1.23 C ATOM 551 O ASP A 36 -6.371 -2.478 -30.453 1.00 31.51 O ATOM 552 CB ASP A 36 -7.629 -5.050 -29.197 1.00 24.32 C ATOM 553 CG ASP A 36 -7.666 -6.337 -29.995 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.460 -7.414 -29.397 1.00 21.31 O ATOM 555 OD2 ASP A 36 -7.901 -6.269 -31.221 1.00 70.42 O ATOM 0 H ASP A 36 -6.936 -3.175 -27.608 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.498 -5.273 -29.058 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.007 -5.238 -28.192 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.296 -4.321 -29.657 1.00 24.32 H new ATOM 560 N TYR A 37 -5.174 -4.195 -31.277 1.00 30.14 N ATOM 561 CA TYR A 37 -4.817 -3.500 -32.506 1.00 33.02 C ATOM 562 C TYR A 37 -6.055 -2.927 -33.189 1.00 52.25 C ATOM 563 O TYR A 37 -6.001 -1.869 -33.816 1.00 44.22 O ATOM 564 CB TYR A 37 -4.088 -4.448 -33.460 1.00 4.33 C ATOM 565 CG TYR A 37 -5.016 -5.346 -34.247 1.00 34.33 C ATOM 566 CD1 TYR A 37 -5.544 -4.937 -35.465 1.00 30.14 C ATOM 567 CD2 TYR A 37 -5.364 -6.605 -33.772 1.00 74.22 C ATOM 568 CE1 TYR A 37 -6.392 -5.754 -36.187 1.00 74.45 C ATOM 569 CE2 TYR A 37 -6.210 -7.429 -34.488 1.00 34.11 C ATOM 570 CZ TYR A 37 -6.722 -7.000 -35.694 1.00 12.12 C ATOM 571 OH TYR A 37 -7.567 -7.817 -36.411 1.00 41.03 O ATOM 0 H TYR A 37 -4.799 -5.141 -31.204 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.154 -2.675 -32.246 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.488 -3.860 -34.155 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.397 -5.066 -32.887 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -5.287 -3.963 -35.854 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -4.966 -6.945 -32.827 1.00 74.22 H new ATOM 0 HE1 TYR A 37 -6.794 -5.420 -37.132 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -6.469 -8.405 -34.105 1.00 34.11 H new ATOM 0 HH TYR A 37 -7.512 -8.731 -36.062 1.00 41.03 H new ATOM 581 N LYS A 38 -7.173 -3.636 -33.060 1.00 0.11 N ATOM 582 CA LYS A 38 -8.428 -3.199 -33.662 1.00 54.34 C ATOM 583 C LYS A 38 -9.096 -2.126 -32.808 1.00 63.30 C ATOM 584 O LYS A 38 -9.642 -1.154 -33.330 1.00 51.11 O ATOM 585 CB LYS A 38 -9.375 -4.390 -33.836 1.00 63.31 C ATOM 586 CG LYS A 38 -10.437 -4.171 -34.898 1.00 54.42 C ATOM 587 CD LYS A 38 -11.690 -4.981 -34.608 1.00 63.40 C ATOM 588 CE LYS A 38 -12.600 -5.056 -35.824 1.00 74.30 C ATOM 589 NZ LYS A 38 -11.976 -5.825 -36.937 1.00 30.43 N ATOM 0 H LYS A 38 -7.235 -4.514 -32.545 1.00 0.11 H new ATOM 0 HA LYS A 38 -8.205 -2.773 -34.640 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.791 -5.273 -34.095 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.863 -4.598 -32.884 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.690 -3.112 -34.948 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.040 -4.450 -35.874 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -11.410 -5.988 -34.299 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -12.230 -4.531 -33.775 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -13.543 -5.524 -35.543 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -12.834 -4.048 -36.166 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -12.717 -6.159 -37.586 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -11.314 -5.212 -37.454 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -11.461 -6.641 -36.549 1.00 30.43 H new ATOM 603 N LYS A 39 -9.048 -2.307 -31.493 1.00 13.11 N ATOM 604 CA LYS A 39 -9.646 -1.354 -30.566 1.00 43.13 C ATOM 605 C LYS A 39 -9.121 0.055 -30.821 1.00 2.14 C ATOM 606 O LYS A 39 -9.893 1.009 -30.902 1.00 41.33 O ATOM 607 CB LYS A 39 -9.355 -1.765 -29.121 1.00 74.40 C ATOM 608 CG LYS A 39 -10.518 -2.467 -28.442 1.00 14.42 C ATOM 609 CD LYS A 39 -11.636 -1.495 -28.104 1.00 32.52 C ATOM 610 CE LYS A 39 -12.903 -2.225 -27.687 1.00 13.12 C ATOM 611 NZ LYS A 39 -12.853 -2.654 -26.262 1.00 4.24 N ATOM 0 H LYS A 39 -8.600 -3.106 -31.045 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.724 -1.356 -30.727 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -8.486 -2.423 -29.107 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.091 -0.877 -28.546 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -10.902 -3.251 -29.094 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -10.169 -2.953 -27.531 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.314 -0.834 -27.299 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -11.846 -0.865 -28.969 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -13.764 -1.574 -27.840 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.046 -3.098 -28.324 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -13.735 -3.148 -26.017 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -12.046 -3.295 -26.121 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -12.743 -1.819 -25.652 1.00 4.24 H new ATOM 625 N GLU A 40 -7.802 0.176 -30.948 1.00 43.23 N ATOM 626 CA GLU A 40 -7.176 1.469 -31.195 1.00 30.23 C ATOM 627 C GLU A 40 -7.042 1.733 -32.692 1.00 71.01 C ATOM 628 O GLU A 40 -6.964 2.881 -33.127 1.00 70.35 O ATOM 629 CB GLU A 40 -5.797 1.528 -30.531 1.00 33.12 C ATOM 630 CG GLU A 40 -5.775 2.334 -29.244 1.00 71.13 C ATOM 631 CD GLU A 40 -6.331 3.734 -29.424 1.00 51.30 C ATOM 632 OE1 GLU A 40 -5.663 4.557 -30.085 1.00 11.55 O ATOM 633 OE2 GLU A 40 -7.432 4.007 -28.902 1.00 43.15 O ATOM 0 H GLU A 40 -7.149 -0.605 -30.884 1.00 43.23 H new ATOM 0 HA GLU A 40 -7.814 2.240 -30.763 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.461 0.513 -30.320 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.084 1.960 -31.233 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -6.354 1.812 -28.483 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.751 2.398 -28.877 1.00 71.13 H new ATOM 640 N GLY A 41 -7.017 0.660 -33.476 1.00 12.45 N ATOM 641 CA GLY A 41 -6.894 0.795 -34.916 1.00 0.44 C ATOM 642 C GLY A 41 -5.450 0.901 -35.366 1.00 54.13 C ATOM 643 O GLY A 41 -4.838 1.965 -35.265 1.00 32.21 O ATOM 0 H GLY A 41 -7.080 -0.301 -33.140 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.360 -0.063 -35.400 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.439 1.680 -35.243 1.00 0.44 H new ATOM 647 N LEU A 42 -4.904 -0.203 -35.861 1.00 61.22 N ATOM 648 CA LEU A 42 -3.521 -0.232 -36.327 1.00 32.11 C ATOM 649 C LEU A 42 -3.326 0.713 -37.509 1.00 60.11 C ATOM 650 O LEU A 42 -4.097 0.688 -38.469 1.00 61.12 O ATOM 651 CB LEU A 42 -3.124 -1.654 -36.724 1.00 31.00 C ATOM 652 CG LEU A 42 -1.630 -1.972 -36.676 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.874 -1.146 -37.706 1.00 61.11 C ATOM 654 CD2 LEU A 42 -1.076 -1.725 -35.281 1.00 25.43 C ATOM 0 H LEU A 42 -5.397 -1.091 -35.951 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.881 0.100 -35.510 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.645 -2.352 -36.068 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -3.482 -1.840 -37.736 1.00 31.00 H new ATOM 0 HG LEU A 42 -1.495 -3.027 -36.917 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.188 -1.386 -37.657 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -1.252 -1.373 -38.703 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -1.016 -0.086 -37.497 1.00 61.11 H new ATOM 0 HD21 LEU A 42 -0.011 -1.957 -35.266 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.224 -0.679 -35.011 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.596 -2.362 -34.565 1.00 25.43 H new ATOM 666 N ASP A 43 -2.291 1.541 -37.433 1.00 24.10 N ATOM 667 CA ASP A 43 -1.992 2.491 -38.498 1.00 33.24 C ATOM 668 C ASP A 43 -0.492 2.553 -38.766 1.00 21.14 C ATOM 669 O ASP A 43 0.315 2.120 -37.943 1.00 4.53 O ATOM 670 CB ASP A 43 -2.515 3.882 -38.133 1.00 14.14 C ATOM 671 CG ASP A 43 -4.001 3.881 -37.833 1.00 53.01 C ATOM 672 OD1 ASP A 43 -4.762 3.264 -38.607 1.00 52.23 O ATOM 673 OD2 ASP A 43 -4.403 4.497 -36.823 1.00 4.11 O ATOM 0 H ASP A 43 -1.644 1.574 -36.645 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.491 2.150 -39.405 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -1.972 4.255 -37.264 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -2.313 4.570 -38.954 1.00 14.14 H new ATOM 678 N ALA A 44 -0.124 3.094 -39.924 1.00 11.33 N ATOM 679 CA ALA A 44 1.279 3.213 -40.300 1.00 41.31 C ATOM 680 C ALA A 44 2.089 3.883 -39.195 1.00 2.35 C ATOM 681 O ALA A 44 3.271 3.592 -39.015 1.00 3.31 O ATOM 682 CB ALA A 44 1.413 3.991 -41.601 1.00 54.41 C ATOM 0 H ALA A 44 -0.779 3.456 -40.617 1.00 11.33 H new ATOM 0 HA ALA A 44 1.676 2.209 -40.448 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.466 4.072 -41.870 1.00 54.41 H new ATOM 0 HB2 ALA A 44 0.875 3.470 -42.393 1.00 54.41 H new ATOM 0 HB3 ALA A 44 0.993 4.989 -41.473 1.00 54.41 H new ATOM 688 N GLU A 45 1.444 4.783 -38.458 1.00 21.11 N ATOM 689 CA GLU A 45 2.107 5.496 -37.372 1.00 32.33 C ATOM 690 C GLU A 45 2.497 4.537 -36.250 1.00 22.11 C ATOM 691 O GLU A 45 3.645 4.518 -35.807 1.00 3.32 O ATOM 692 CB GLU A 45 1.195 6.596 -36.824 1.00 25.10 C ATOM 693 CG GLU A 45 1.947 7.732 -36.151 1.00 65.44 C ATOM 694 CD GLU A 45 1.023 8.798 -35.598 1.00 54.25 C ATOM 695 OE1 GLU A 45 0.603 8.672 -34.429 1.00 35.42 O ATOM 696 OE2 GLU A 45 0.718 9.758 -36.336 1.00 31.22 O ATOM 0 H GLU A 45 0.465 5.035 -38.593 1.00 21.11 H new ATOM 0 HA GLU A 45 3.014 5.951 -37.770 1.00 32.33 H new ATOM 0 HB2 GLU A 45 0.597 7.001 -37.641 1.00 25.10 H new ATOM 0 HB3 GLU A 45 0.500 6.157 -36.108 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.556 7.330 -35.342 1.00 65.44 H new ATOM 0 HG3 GLU A 45 2.630 8.186 -36.869 1.00 65.44 H new ATOM 703 N THR A 46 1.532 3.744 -35.796 1.00 73.34 N ATOM 704 CA THR A 46 1.773 2.783 -34.725 1.00 14.20 C ATOM 705 C THR A 46 2.777 1.720 -35.156 1.00 20.44 C ATOM 706 O THR A 46 3.719 1.409 -34.426 1.00 51.10 O ATOM 707 CB THR A 46 0.467 2.093 -34.286 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.600 3.047 -34.241 1.00 61.33 O ATOM 709 CG2 THR A 46 0.633 1.444 -32.920 1.00 1.32 C ATOM 0 H THR A 46 0.576 3.748 -36.153 1.00 73.34 H new ATOM 0 HA THR A 46 2.180 3.343 -33.883 1.00 14.20 H new ATOM 0 HB THR A 46 0.228 1.317 -35.013 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.427 2.600 -33.963 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.301 0.963 -32.630 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.427 0.698 -32.966 1.00 1.32 H new ATOM 0 HG23 THR A 46 0.893 2.205 -32.185 1.00 1.32 H new ATOM 717 N LEU A 47 2.570 1.166 -36.346 1.00 41.05 N ATOM 718 CA LEU A 47 3.458 0.136 -36.875 1.00 30.54 C ATOM 719 C LEU A 47 4.894 0.643 -36.951 1.00 4.21 C ATOM 720 O LEU A 47 5.825 -0.031 -36.510 1.00 62.44 O ATOM 721 CB LEU A 47 2.988 -0.308 -38.261 1.00 40.43 C ATOM 722 CG LEU A 47 3.361 -1.733 -38.672 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.872 -1.888 -38.749 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.768 -2.741 -37.699 1.00 35.34 C ATOM 0 H LEU A 47 1.796 1.413 -36.962 1.00 41.05 H new ATOM 0 HA LEU A 47 3.428 -0.718 -36.198 1.00 30.54 H new ATOM 0 HB2 LEU A 47 1.903 -0.211 -38.303 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.398 0.381 -39.000 1.00 40.43 H new ATOM 0 HG LEU A 47 2.946 -1.926 -39.661 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.119 -2.908 -39.043 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.272 -1.191 -39.486 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.310 -1.675 -37.774 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.044 -3.750 -38.007 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.153 -2.550 -36.697 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.682 -2.647 -37.695 1.00 35.34 H new ATOM 736 N ASP A 48 5.066 1.835 -37.512 1.00 1.01 N ATOM 737 CA ASP A 48 6.390 2.434 -37.643 1.00 1.33 C ATOM 738 C ASP A 48 7.029 2.647 -36.275 1.00 4.12 C ATOM 739 O ASP A 48 8.190 2.300 -36.060 1.00 45.52 O ATOM 740 CB ASP A 48 6.298 3.767 -38.389 1.00 15.35 C ATOM 741 CG ASP A 48 7.653 4.268 -38.847 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.499 3.431 -39.226 1.00 12.50 O ATOM 743 OD2 ASP A 48 7.867 5.498 -38.828 1.00 70.50 O ATOM 0 H ASP A 48 4.306 2.405 -37.883 1.00 1.01 H new ATOM 0 HA ASP A 48 7.017 1.748 -38.214 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.645 3.652 -39.254 1.00 15.35 H new ATOM 0 HB3 ASP A 48 5.839 4.512 -37.740 1.00 15.35 H new ATOM 748 N ARG A 49 6.262 3.218 -35.351 1.00 40.22 N ATOM 749 CA ARG A 49 6.753 3.479 -34.004 1.00 24.55 C ATOM 750 C ARG A 49 7.225 2.190 -33.339 1.00 53.00 C ATOM 751 O ARG A 49 8.246 2.171 -32.651 1.00 73.52 O ATOM 752 CB ARG A 49 5.660 4.132 -33.157 1.00 41.24 C ATOM 753 CG ARG A 49 5.529 5.629 -33.381 1.00 35.00 C ATOM 754 CD ARG A 49 6.585 6.403 -32.607 1.00 53.11 C ATOM 755 NE ARG A 49 6.196 6.618 -31.216 1.00 73.43 N ATOM 756 CZ ARG A 49 6.927 7.308 -30.347 1.00 12.33 C ATOM 757 NH1 ARG A 49 8.079 7.846 -30.723 1.00 1.45 N ATOM 758 NH2 ARG A 49 6.506 7.461 -29.097 1.00 21.11 N ATOM 0 H ARG A 49 5.298 3.509 -35.512 1.00 40.22 H new ATOM 0 HA ARG A 49 7.600 4.161 -34.079 1.00 24.55 H new ATOM 0 HB2 ARG A 49 4.706 3.655 -33.380 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.870 3.948 -32.103 1.00 41.24 H new ATOM 0 HG2 ARG A 49 5.622 5.848 -34.445 1.00 35.00 H new ATOM 0 HG3 ARG A 49 4.537 5.958 -33.073 1.00 35.00 H new ATOM 0 HD2 ARG A 49 7.529 5.859 -32.639 1.00 53.11 H new ATOM 0 HD3 ARG A 49 6.755 7.366 -33.089 1.00 53.11 H new ATOM 0 HE ARG A 49 5.315 6.217 -30.894 1.00 73.43 H new ATOM 0 HH11 ARG A 49 8.407 7.731 -31.682 1.00 1.45 H new ATOM 0 HH12 ARG A 49 8.638 8.375 -30.053 1.00 1.45 H new ATOM 0 HH21 ARG A 49 5.621 7.049 -28.803 1.00 21.11 H new ATOM 0 HH22 ARG A 49 7.068 7.991 -28.431 1.00 21.11 H new ATOM 772 N PHE A 50 6.474 1.112 -33.547 1.00 52.05 N ATOM 773 CA PHE A 50 6.814 -0.181 -32.967 1.00 23.30 C ATOM 774 C PHE A 50 8.029 -0.787 -33.664 1.00 71.14 C ATOM 775 O PHE A 50 8.832 -1.485 -33.043 1.00 40.10 O ATOM 776 CB PHE A 50 5.624 -1.137 -33.067 1.00 63.44 C ATOM 777 CG PHE A 50 4.654 -1.008 -31.927 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.087 -1.114 -30.616 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.309 -0.779 -32.169 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.196 -0.996 -29.566 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.413 -0.659 -31.123 1.00 41.31 C ATOM 782 CZ PHE A 50 2.858 -0.767 -29.819 1.00 24.45 C ATOM 0 H PHE A 50 5.626 1.110 -34.113 1.00 52.05 H new ATOM 0 HA PHE A 50 7.060 -0.027 -31.916 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.098 -0.953 -34.004 1.00 63.44 H new ATOM 0 HB3 PHE A 50 5.994 -2.162 -33.105 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.133 -1.291 -30.412 1.00 32.42 H new ATOM 0 HD2 PHE A 50 2.957 -0.693 -33.186 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.546 -1.083 -28.548 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.367 -0.481 -31.325 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.161 -0.672 -29.000 1.00 24.45 H new ATOM 792 N LEU A 51 8.156 -0.519 -34.958 1.00 22.50 N ATOM 793 CA LEU A 51 9.271 -1.037 -35.742 1.00 0.23 C ATOM 794 C LEU A 51 10.586 -0.396 -35.308 1.00 53.31 C ATOM 795 O LEU A 51 11.617 -1.064 -35.228 1.00 22.12 O ATOM 796 CB LEU A 51 9.035 -0.785 -37.233 1.00 24.51 C ATOM 797 CG LEU A 51 9.656 -1.800 -38.192 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.167 -1.833 -38.028 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.062 -3.182 -37.964 1.00 23.22 C ATOM 0 H LEU A 51 7.500 0.055 -35.487 1.00 22.50 H new ATOM 0 HA LEU A 51 9.336 -2.111 -35.568 1.00 0.23 H new ATOM 0 HB2 LEU A 51 7.960 -0.758 -37.411 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.424 0.203 -37.480 1.00 24.51 H new ATOM 0 HG LEU A 51 9.429 -1.493 -39.213 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.592 -2.561 -38.719 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.578 -0.846 -38.243 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.416 -2.115 -37.005 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.516 -3.892 -38.656 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.258 -3.498 -36.939 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.986 -3.148 -38.134 1.00 23.22 H new ATOM 811 N LYS A 52 10.541 0.902 -35.029 1.00 72.22 N ATOM 812 CA LYS A 52 11.727 1.633 -34.600 1.00 13.04 C ATOM 813 C LYS A 52 12.193 1.157 -33.228 1.00 1.22 C ATOM 814 O LYS A 52 13.384 1.196 -32.917 1.00 22.51 O ATOM 815 CB LYS A 52 11.437 3.136 -34.559 1.00 14.41 C ATOM 816 CG LYS A 52 11.336 3.773 -35.933 1.00 64.25 C ATOM 817 CD LYS A 52 11.386 5.290 -35.850 1.00 12.02 C ATOM 818 CE LYS A 52 11.371 5.925 -37.232 1.00 32.31 C ATOM 819 NZ LYS A 52 11.797 7.351 -37.191 1.00 13.43 N ATOM 0 H LYS A 52 9.696 1.469 -35.092 1.00 72.22 H new ATOM 0 HA LYS A 52 12.522 1.441 -35.321 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.504 3.303 -34.021 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.225 3.634 -33.994 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.151 3.415 -36.562 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.406 3.464 -36.411 1.00 64.25 H new ATOM 0 HD2 LYS A 52 10.535 5.652 -35.273 1.00 12.02 H new ATOM 0 HD3 LYS A 52 12.286 5.597 -35.317 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.032 5.367 -37.895 1.00 32.31 H new ATOM 0 HE3 LYS A 52 10.367 5.858 -37.652 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 11.773 7.748 -38.152 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 11.151 7.889 -36.578 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 12.764 7.414 -36.814 1.00 13.43 H new ATOM 833 N THR A 53 11.248 0.705 -32.410 1.00 24.20 N ATOM 834 CA THR A 53 11.562 0.221 -31.072 1.00 34.52 C ATOM 835 C THR A 53 11.909 -1.263 -31.091 1.00 21.14 C ATOM 836 O THR A 53 12.663 -1.747 -30.247 1.00 72.44 O ATOM 837 CB THR A 53 10.387 0.449 -30.102 1.00 24.53 C ATOM 838 OG1 THR A 53 9.150 0.123 -30.745 1.00 13.12 O ATOM 839 CG2 THR A 53 10.352 1.894 -29.625 1.00 64.44 C ATOM 0 H THR A 53 10.258 0.664 -32.651 1.00 24.20 H new ATOM 0 HA THR A 53 12.426 0.789 -30.726 1.00 34.52 H new ATOM 0 HB THR A 53 10.527 -0.199 -29.237 1.00 24.53 H new ATOM 0 HG1 THR A 53 8.847 0.888 -31.278 1.00 13.12 H new ATOM 0 HG21 THR A 53 9.514 2.031 -28.941 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.283 2.130 -29.110 1.00 64.44 H new ATOM 0 HG23 THR A 53 10.233 2.557 -30.482 1.00 64.44 H new ATOM 847 N VAL A 54 11.354 -1.983 -32.062 1.00 5.34 N ATOM 848 CA VAL A 54 11.607 -3.413 -32.193 1.00 43.11 C ATOM 849 C VAL A 54 11.668 -3.828 -33.659 1.00 50.42 C ATOM 850 O VAL A 54 10.819 -3.458 -34.471 1.00 41.32 O ATOM 851 CB VAL A 54 10.521 -4.242 -31.480 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.816 -5.729 -31.606 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.413 -3.834 -30.019 1.00 51.22 C ATOM 0 H VAL A 54 10.727 -1.599 -32.769 1.00 5.34 H new ATOM 0 HA VAL A 54 12.571 -3.609 -31.723 1.00 43.11 H new ATOM 0 HB VAL A 54 9.563 -4.044 -31.961 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.039 -6.299 -31.097 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.838 -6.007 -32.660 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.783 -5.948 -31.152 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.641 -4.430 -29.531 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.369 -4.002 -29.523 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.151 -2.778 -29.955 1.00 51.22 H new ATOM 863 N PRO A 55 12.696 -4.617 -34.007 1.00 2.25 N ATOM 864 CA PRO A 55 12.893 -5.100 -35.377 1.00 2.03 C ATOM 865 C PRO A 55 11.841 -6.126 -35.786 1.00 74.41 C ATOM 866 O PRO A 55 11.388 -6.925 -34.967 1.00 51.24 O ATOM 867 CB PRO A 55 14.279 -5.748 -35.329 1.00 33.24 C ATOM 868 CG PRO A 55 14.466 -6.136 -33.902 1.00 34.23 C ATOM 869 CD PRO A 55 13.745 -5.096 -33.091 1.00 62.25 C ATOM 0 HA PRO A 55 12.808 -4.296 -36.109 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.333 -6.616 -35.986 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.053 -5.053 -35.655 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.060 -7.130 -33.712 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.524 -6.169 -33.642 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.321 -5.519 -32.180 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.412 -4.289 -32.787 1.00 62.25 H new ATOM 877 N TRP A 56 11.456 -6.097 -37.057 1.00 2.13 N ATOM 878 CA TRP A 56 10.458 -7.025 -37.575 1.00 72.32 C ATOM 879 C TRP A 56 10.841 -8.468 -37.263 1.00 33.30 C ATOM 880 O TRP A 56 9.993 -9.274 -36.881 1.00 54.31 O ATOM 881 CB TRP A 56 10.296 -6.842 -39.085 1.00 43.12 C ATOM 882 CG TRP A 56 11.578 -7.009 -39.843 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.498 -6.038 -40.120 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.080 -8.218 -40.423 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.541 -6.571 -40.838 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.309 -7.907 -41.036 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.611 -9.533 -40.484 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.073 -8.864 -41.700 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.370 -10.481 -41.143 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.591 -10.143 -41.743 1.00 14.15 C ATOM 0 H TRP A 56 11.820 -5.441 -37.748 1.00 2.13 H new ATOM 0 HA TRP A 56 9.508 -6.808 -37.086 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.567 -7.562 -39.455 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.892 -5.849 -39.282 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.417 -5.004 -39.819 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.356 -6.056 -41.170 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.672 -9.803 -40.024 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.013 -8.605 -42.165 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.016 -11.500 -41.197 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.162 -10.907 -42.249 1.00 14.15 H new ATOM 901 N GLU A 57 12.121 -8.783 -37.426 1.00 24.51 N ATOM 902 CA GLU A 57 12.614 -10.130 -37.161 1.00 64.15 C ATOM 903 C GLU A 57 12.203 -10.596 -35.767 1.00 74.11 C ATOM 904 O GLU A 57 11.996 -11.787 -35.535 1.00 43.02 O ATOM 905 CB GLU A 57 14.137 -10.175 -37.297 1.00 44.32 C ATOM 906 CG GLU A 57 14.852 -9.093 -36.504 1.00 74.32 C ATOM 907 CD GLU A 57 16.285 -9.462 -36.176 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.501 -10.157 -35.160 1.00 35.22 O ATOM 909 OE2 GLU A 57 17.192 -9.054 -36.932 1.00 73.32 O ATOM 0 H GLU A 57 12.835 -8.126 -37.740 1.00 24.51 H new ATOM 0 HA GLU A 57 12.170 -10.802 -37.895 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.494 -11.151 -36.968 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.402 -10.077 -38.350 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.841 -8.163 -37.073 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.308 -8.906 -35.578 1.00 74.32 H new ATOM 916 N GLN A 58 12.089 -9.648 -34.842 1.00 73.33 N ATOM 917 CA GLN A 58 11.704 -9.960 -33.471 1.00 13.45 C ATOM 918 C GLN A 58 10.377 -9.298 -33.113 1.00 24.32 C ATOM 919 O GLN A 58 10.093 -9.048 -31.941 1.00 52.14 O ATOM 920 CB GLN A 58 12.793 -9.507 -32.498 1.00 52.31 C ATOM 921 CG GLN A 58 14.114 -10.238 -32.681 1.00 2.22 C ATOM 922 CD GLN A 58 14.996 -10.163 -31.450 1.00 73.04 C ATOM 923 OE1 GLN A 58 16.103 -9.624 -31.497 1.00 12.51 O ATOM 924 NE2 GLN A 58 14.511 -10.705 -30.340 1.00 11.14 N ATOM 0 H GLN A 58 12.258 -8.658 -35.018 1.00 73.33 H new ATOM 0 HA GLN A 58 11.582 -11.040 -33.392 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.959 -8.437 -32.624 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.442 -9.658 -31.477 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.917 -11.283 -32.919 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.646 -9.812 -33.532 1.00 2.22 H new ATOM 0 HE21 GLN A 58 13.589 -11.141 -30.346 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.060 -10.685 -29.481 1.00 11.14 H new ATOM 933 N LEU A 59 9.570 -9.015 -34.130 1.00 41.15 N ATOM 934 CA LEU A 59 8.273 -8.380 -33.922 1.00 23.12 C ATOM 935 C LEU A 59 7.139 -9.309 -34.344 1.00 51.11 C ATOM 936 O LEU A 59 6.003 -9.165 -33.891 1.00 4.12 O ATOM 937 CB LEU A 59 8.193 -7.070 -34.707 1.00 20.44 C ATOM 938 CG LEU A 59 7.049 -6.128 -34.327 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.521 -4.683 -34.342 1.00 5.54 C ATOM 940 CD2 LEU A 59 5.869 -6.316 -35.270 1.00 61.44 C ATOM 0 H LEU A 59 9.791 -9.215 -35.106 1.00 41.15 H new ATOM 0 HA LEU A 59 8.167 -8.166 -32.859 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.134 -6.536 -34.580 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.103 -7.310 -35.767 1.00 20.44 H new ATOM 0 HG LEU A 59 6.723 -6.371 -33.316 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.694 -4.027 -34.069 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.334 -4.558 -33.627 1.00 5.54 H new ATOM 0 HD13 LEU A 59 7.874 -4.426 -35.341 1.00 5.54 H new ATOM 0 HD21 LEU A 59 5.064 -5.638 -34.985 1.00 61.44 H new ATOM 0 HD22 LEU A 59 6.182 -6.099 -36.292 1.00 61.44 H new ATOM 0 HD23 LEU A 59 5.515 -7.345 -35.209 1.00 61.44 H new ATOM 952 N LEU A 60 7.455 -10.263 -35.211 1.00 55.45 N ATOM 953 CA LEU A 60 6.463 -11.219 -35.693 1.00 62.31 C ATOM 954 C LEU A 60 6.838 -12.642 -35.294 1.00 44.10 C ATOM 955 O LEU A 60 8.016 -12.970 -35.165 1.00 61.30 O ATOM 956 CB LEU A 60 6.329 -11.122 -37.214 1.00 44.32 C ATOM 957 CG LEU A 60 7.435 -11.795 -38.029 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.899 -13.029 -38.738 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.029 -10.817 -39.031 1.00 71.44 C ATOM 0 H LEU A 60 8.390 -10.396 -35.595 1.00 55.45 H new ATOM 0 HA LEU A 60 5.506 -10.973 -35.233 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.374 -11.560 -37.503 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.292 -10.068 -37.489 1.00 44.32 H new ATOM 0 HG LEU A 60 8.225 -12.108 -37.346 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.699 -13.495 -39.313 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.522 -13.738 -38.000 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.091 -12.740 -39.410 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.814 -11.313 -39.602 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.249 -10.473 -39.710 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.450 -9.963 -38.500 1.00 71.44 H new ATOM 971 N ASN A 61 5.827 -13.483 -35.100 1.00 14.22 N ATOM 972 CA ASN A 61 6.051 -14.872 -34.716 1.00 33.24 C ATOM 973 C ASN A 61 7.048 -15.542 -35.657 1.00 54.15 C ATOM 974 O ASN A 61 7.058 -15.275 -36.859 1.00 1.23 O ATOM 975 CB ASN A 61 4.730 -15.644 -34.720 1.00 52.35 C ATOM 976 CG ASN A 61 3.838 -15.256 -35.885 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.747 -14.718 -35.693 1.00 42.20 O ATOM 978 ND2 ASN A 61 4.300 -15.528 -37.100 1.00 71.33 N ATOM 0 H ASN A 61 4.845 -13.227 -35.202 1.00 14.22 H new ATOM 0 HA ASN A 61 6.466 -14.882 -33.708 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.937 -16.713 -34.765 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.202 -15.460 -33.784 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.745 -15.290 -37.922 1.00 71.33 H new ATOM 0 HD22 ASN A 61 5.210 -15.975 -37.211 1.00 71.33 H new ATOM 985 N ARG A 62 7.882 -16.415 -35.101 1.00 14.43 N ATOM 986 CA ARG A 62 8.883 -17.122 -35.891 1.00 62.32 C ATOM 987 C ARG A 62 8.531 -18.602 -36.013 1.00 71.20 C ATOM 988 O ARG A 62 8.412 -19.133 -37.117 1.00 73.11 O ATOM 989 CB ARG A 62 10.267 -16.967 -35.257 1.00 1.22 C ATOM 990 CG ARG A 62 10.959 -15.663 -35.617 1.00 71.45 C ATOM 991 CD ARG A 62 10.722 -14.596 -34.559 1.00 72.42 C ATOM 992 NE ARG A 62 11.974 -14.076 -34.017 1.00 15.00 N ATOM 993 CZ ARG A 62 12.671 -14.685 -33.065 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.242 -15.831 -32.553 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.802 -14.150 -32.622 1.00 4.03 N ATOM 0 H ARG A 62 7.884 -16.649 -34.108 1.00 14.43 H new ATOM 0 HA ARG A 62 8.897 -16.685 -36.889 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.170 -17.030 -34.173 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.896 -17.801 -35.570 1.00 1.22 H new ATOM 0 HG2 ARG A 62 12.029 -15.836 -35.727 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.592 -15.309 -36.581 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.147 -13.778 -34.992 1.00 72.42 H new ATOM 0 HD3 ARG A 62 10.123 -15.014 -33.750 1.00 72.42 H new ATOM 0 HE ARG A 62 12.333 -13.197 -34.390 1.00 15.00 H new ATOM 0 HH11 ARG A 62 11.374 -16.247 -32.891 1.00 32.15 H new ATOM 0 HH12 ARG A 62 12.780 -16.296 -31.822 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.137 -13.270 -33.013 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.336 -14.619 -31.891 1.00 4.03 H new ATOM 1009 N ALA A 63 8.367 -19.263 -34.872 1.00 13.41 N ATOM 1010 CA ALA A 63 8.028 -20.680 -34.851 1.00 11.25 C ATOM 1011 C ALA A 63 6.522 -20.882 -34.724 1.00 40.23 C ATOM 1012 O ALA A 63 6.064 -21.877 -34.164 1.00 15.22 O ATOM 1013 CB ALA A 63 8.755 -21.380 -33.711 1.00 4.01 C ATOM 0 H ALA A 63 8.464 -18.839 -33.949 1.00 13.41 H new ATOM 0 HA ALA A 63 8.349 -21.119 -35.796 1.00 11.25 H new ATOM 0 HB1 ALA A 63 8.492 -22.438 -33.707 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.831 -21.274 -33.846 1.00 4.01 H new ATOM 0 HB3 ALA A 63 8.462 -20.930 -32.762 1.00 4.01 H new ATOM 1019 N GLY A 64 5.755 -19.930 -35.246 1.00 15.42 N ATOM 1020 CA GLY A 64 4.308 -20.022 -35.180 1.00 64.14 C ATOM 1021 C GLY A 64 3.694 -20.458 -36.495 1.00 10.02 C ATOM 1022 O GLY A 64 4.251 -20.204 -37.565 1.00 62.15 O ATOM 0 H GLY A 64 6.110 -19.096 -35.714 1.00 15.42 H new ATOM 0 HA2 GLY A 64 4.027 -20.729 -34.399 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.898 -19.053 -34.895 1.00 64.14 H new ATOM 1026 N THR A 65 2.543 -21.119 -36.420 1.00 32.42 N ATOM 1027 CA THR A 65 1.853 -21.593 -37.613 1.00 14.14 C ATOM 1028 C THR A 65 1.664 -20.467 -38.623 1.00 2.22 C ATOM 1029 O THR A 65 1.694 -20.693 -39.833 1.00 74.54 O ATOM 1030 CB THR A 65 0.478 -22.193 -37.265 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.246 -21.298 -36.414 1.00 71.44 O ATOM 1032 CG2 THR A 65 0.634 -23.542 -36.579 1.00 24.43 C ATOM 0 H THR A 65 2.069 -21.338 -35.544 1.00 32.42 H new ATOM 0 HA THR A 65 2.479 -22.370 -38.053 1.00 14.14 H new ATOM 0 HB THR A 65 -0.076 -22.338 -38.192 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.120 -21.686 -36.199 1.00 71.44 H new ATOM 0 HG21 THR A 65 -0.350 -23.946 -36.343 1.00 24.43 H new ATOM 0 HG22 THR A 65 1.159 -24.229 -37.243 1.00 24.43 H new ATOM 0 HG23 THR A 65 1.206 -23.418 -35.659 1.00 24.43 H new ATOM 1040 N THR A 66 1.469 -19.252 -38.118 1.00 75.01 N ATOM 1041 CA THR A 66 1.275 -18.091 -38.977 1.00 24.34 C ATOM 1042 C THR A 66 2.428 -17.934 -39.961 1.00 70.12 C ATOM 1043 O THR A 66 2.214 -17.776 -41.163 1.00 31.44 O ATOM 1044 CB THR A 66 1.141 -16.798 -38.150 1.00 53.23 C ATOM 1045 OG1 THR A 66 0.690 -17.106 -36.826 1.00 11.42 O ATOM 1046 CG2 THR A 66 0.168 -15.832 -38.809 1.00 2.54 C ATOM 0 H THR A 66 1.441 -19.047 -37.119 1.00 75.01 H new ATOM 0 HA THR A 66 0.351 -18.259 -39.530 1.00 24.34 H new ATOM 0 HB THR A 66 2.121 -16.324 -38.099 1.00 53.23 H new ATOM 0 HG1 THR A 66 0.609 -16.279 -36.307 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.090 -14.927 -38.207 1.00 2.54 H new ATOM 0 HG22 THR A 66 0.529 -15.575 -39.805 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.813 -16.301 -38.888 1.00 2.54 H new ATOM 1054 N PHE A 67 3.651 -17.980 -39.444 1.00 31.33 N ATOM 1055 CA PHE A 67 4.840 -17.843 -40.277 1.00 51.22 C ATOM 1056 C PHE A 67 4.982 -19.033 -41.222 1.00 2.20 C ATOM 1057 O PHE A 67 5.443 -18.890 -42.353 1.00 62.22 O ATOM 1058 CB PHE A 67 6.090 -17.717 -39.404 1.00 14.00 C ATOM 1059 CG PHE A 67 7.352 -17.508 -40.191 1.00 64.31 C ATOM 1060 CD1 PHE A 67 8.021 -18.583 -40.753 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.869 -16.234 -40.371 1.00 15.52 C ATOM 1062 CE1 PHE A 67 9.183 -18.393 -41.477 1.00 72.43 C ATOM 1063 CE2 PHE A 67 9.030 -16.038 -41.093 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.687 -17.118 -41.649 1.00 75.02 C ATOM 0 H PHE A 67 3.845 -18.111 -38.451 1.00 31.33 H new ATOM 0 HA PHE A 67 4.732 -16.938 -40.875 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.959 -16.883 -38.714 1.00 14.00 H new ATOM 0 HB3 PHE A 67 6.193 -18.618 -38.799 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.630 -19.581 -40.624 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.358 -15.385 -39.942 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.696 -19.240 -41.908 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.424 -15.041 -41.223 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.593 -16.966 -42.217 1.00 75.02 H new ATOM 1074 N ARG A 68 4.583 -20.208 -40.746 1.00 35.20 N ATOM 1075 CA ARG A 68 4.667 -21.425 -41.545 1.00 13.24 C ATOM 1076 C ARG A 68 3.548 -21.472 -42.583 1.00 42.44 C ATOM 1077 O ARG A 68 3.499 -22.375 -43.419 1.00 51.04 O ATOM 1078 CB ARG A 68 4.594 -22.658 -40.644 1.00 65.20 C ATOM 1079 CG ARG A 68 5.953 -23.141 -40.163 1.00 50.00 C ATOM 1080 CD ARG A 68 5.815 -24.203 -39.082 1.00 44.21 C ATOM 1081 NE ARG A 68 7.112 -24.611 -38.548 1.00 1.04 N ATOM 1082 CZ ARG A 68 7.300 -25.720 -37.844 1.00 43.45 C ATOM 1083 NH1 ARG A 68 6.281 -26.530 -37.590 1.00 73.52 N ATOM 1084 NH2 ARG A 68 8.511 -26.023 -37.391 1.00 33.20 N ATOM 0 H ARG A 68 4.198 -20.343 -39.811 1.00 35.20 H new ATOM 0 HA ARG A 68 5.624 -21.422 -42.067 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.972 -22.429 -39.779 1.00 65.20 H new ATOM 0 HB3 ARG A 68 4.102 -23.465 -41.186 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.515 -23.547 -41.004 1.00 50.00 H new ATOM 0 HG3 ARG A 68 6.524 -22.297 -39.775 1.00 50.00 H new ATOM 0 HD2 ARG A 68 5.194 -23.818 -38.273 1.00 44.21 H new ATOM 0 HD3 ARG A 68 5.302 -25.073 -39.492 1.00 44.21 H new ATOM 0 HE ARG A 68 7.917 -24.011 -38.726 1.00 1.04 H new ATOM 0 HH11 ARG A 68 5.349 -26.301 -37.936 1.00 73.52 H new ATOM 0 HH12 ARG A 68 6.429 -27.382 -37.049 1.00 73.52 H new ATOM 0 HH21 ARG A 68 9.298 -25.403 -37.584 1.00 33.20 H new ATOM 0 HH22 ARG A 68 8.655 -26.876 -36.850 1.00 33.20 H new ATOM 1098 N LYS A 69 2.650 -20.495 -42.521 1.00 73.43 N ATOM 1099 CA LYS A 69 1.532 -20.423 -43.454 1.00 73.42 C ATOM 1100 C LYS A 69 2.029 -20.292 -44.891 1.00 41.12 C ATOM 1101 O LYS A 69 1.485 -20.912 -45.806 1.00 52.53 O ATOM 1102 CB LYS A 69 0.626 -19.240 -43.108 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.725 -19.285 -43.799 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.622 -20.356 -43.200 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.340 -19.851 -41.958 1.00 72.15 C ATOM 1106 NZ LYS A 69 -3.292 -20.861 -41.418 1.00 71.33 N ATOM 0 H LYS A 69 2.675 -19.742 -41.834 1.00 73.43 H new ATOM 0 HA LYS A 69 0.961 -21.347 -43.368 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.472 -19.215 -42.029 1.00 31.13 H new ATOM 0 HB3 LYS A 69 1.133 -18.314 -43.379 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -1.211 -18.313 -43.714 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.585 -19.479 -44.862 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.355 -20.674 -43.941 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -1.025 -21.232 -42.946 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -1.607 -19.598 -41.192 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.880 -18.935 -42.198 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -3.761 -20.479 -40.572 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.007 -21.084 -42.139 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -2.774 -21.726 -41.165 1.00 71.33 H new ATOM 1120 N LEU A 70 3.066 -19.484 -45.082 1.00 1.50 N ATOM 1121 CA LEU A 70 3.638 -19.273 -46.407 1.00 30.25 C ATOM 1122 C LEU A 70 4.790 -20.239 -46.663 1.00 52.51 C ATOM 1123 O LEU A 70 5.423 -20.749 -45.738 1.00 53.44 O ATOM 1124 CB LEU A 70 4.126 -17.831 -46.550 1.00 30.13 C ATOM 1125 CG LEU A 70 3.039 -16.767 -46.715 1.00 75.04 C ATOM 1126 CD1 LEU A 70 3.514 -15.430 -46.169 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.638 -16.637 -48.177 1.00 52.00 C ATOM 0 H LEU A 70 3.528 -18.964 -44.336 1.00 1.50 H new ATOM 0 HA LEU A 70 2.859 -19.461 -47.146 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.721 -17.581 -45.671 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.792 -17.778 -47.411 1.00 30.13 H new ATOM 0 HG LEU A 70 2.163 -17.078 -46.145 1.00 75.04 H new ATOM 0 HD11 LEU A 70 2.728 -14.686 -46.295 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.750 -15.533 -45.110 1.00 23.34 H new ATOM 0 HD13 LEU A 70 4.405 -15.112 -46.710 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.864 -15.876 -48.276 1.00 52.00 H new ATOM 0 HD22 LEU A 70 3.507 -16.349 -48.769 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.255 -17.592 -48.536 1.00 52.00 H new ATOM 1139 N PRO A 71 5.071 -20.498 -47.948 1.00 40.12 N ATOM 1140 CA PRO A 71 6.151 -21.402 -48.357 1.00 21.41 C ATOM 1141 C PRO A 71 7.531 -20.825 -48.068 1.00 4.43 C ATOM 1142 O PRO A 71 7.654 -19.728 -47.524 1.00 61.04 O ATOM 1143 CB PRO A 71 5.938 -21.552 -49.865 1.00 10.33 C ATOM 1144 CG PRO A 71 5.224 -20.308 -50.271 1.00 64.15 C ATOM 1145 CD PRO A 71 4.358 -19.927 -49.104 1.00 72.42 C ATOM 0 HA PRO A 71 6.119 -22.346 -47.813 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.887 -21.654 -50.391 1.00 10.33 H new ATOM 0 HB3 PRO A 71 5.349 -22.440 -50.096 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.930 -19.513 -50.508 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.623 -20.477 -51.164 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.254 -18.845 -49.017 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.353 -20.338 -49.199 1.00 72.42 H new ATOM 1153 N GLU A 72 8.569 -21.569 -48.439 1.00 64.42 N ATOM 1154 CA GLU A 72 9.941 -21.128 -48.219 1.00 2.33 C ATOM 1155 C GLU A 72 10.300 -19.977 -49.155 1.00 32.21 C ATOM 1156 O GLU A 72 11.032 -19.062 -48.777 1.00 64.11 O ATOM 1157 CB GLU A 72 10.914 -22.292 -48.428 1.00 3.30 C ATOM 1158 CG GLU A 72 10.726 -23.011 -49.753 1.00 14.02 C ATOM 1159 CD GLU A 72 11.814 -24.033 -50.021 1.00 23.34 C ATOM 1160 OE1 GLU A 72 12.990 -23.740 -49.718 1.00 2.14 O ATOM 1161 OE2 GLU A 72 11.491 -25.123 -50.535 1.00 4.25 O ATOM 0 H GLU A 72 8.485 -22.479 -48.893 1.00 64.42 H new ATOM 0 HA GLU A 72 10.022 -20.776 -47.191 1.00 2.33 H new ATOM 0 HB2 GLU A 72 11.935 -21.916 -48.370 1.00 3.30 H new ATOM 0 HB3 GLU A 72 10.791 -23.008 -47.615 1.00 3.30 H new ATOM 0 HG2 GLU A 72 9.756 -23.508 -49.758 1.00 14.02 H new ATOM 0 HG3 GLU A 72 10.713 -22.279 -50.561 1.00 14.02 H new ATOM 1168 N ASP A 73 9.780 -20.032 -50.376 1.00 54.44 N ATOM 1169 CA ASP A 73 10.044 -18.994 -51.366 1.00 22.54 C ATOM 1170 C ASP A 73 9.480 -17.651 -50.910 1.00 73.43 C ATOM 1171 O ASP A 73 10.186 -16.643 -50.897 1.00 20.35 O ATOM 1172 CB ASP A 73 9.439 -19.382 -52.716 1.00 11.40 C ATOM 1173 CG ASP A 73 10.333 -20.322 -53.502 1.00 35.22 C ATOM 1174 OD1 ASP A 73 10.774 -21.339 -52.928 1.00 64.21 O ATOM 1175 OD2 ASP A 73 10.592 -20.039 -54.690 1.00 60.34 O ATOM 0 H ASP A 73 9.174 -20.784 -50.704 1.00 54.44 H new ATOM 0 HA ASP A 73 11.124 -18.896 -51.474 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.471 -19.856 -52.554 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.259 -18.481 -53.303 1.00 11.40 H new ATOM 1180 N VAL A 74 8.205 -17.647 -50.538 1.00 22.21 N ATOM 1181 CA VAL A 74 7.547 -16.428 -50.081 1.00 51.24 C ATOM 1182 C VAL A 74 8.206 -15.888 -48.816 1.00 71.30 C ATOM 1183 O VAL A 74 8.347 -14.676 -48.646 1.00 64.14 O ATOM 1184 CB VAL A 74 6.051 -16.669 -49.803 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.413 -15.426 -49.201 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.332 -17.082 -51.079 1.00 20.32 C ATOM 0 H VAL A 74 7.607 -18.473 -50.544 1.00 22.21 H new ATOM 0 HA VAL A 74 7.648 -15.695 -50.881 1.00 51.24 H new ATOM 0 HB VAL A 74 5.959 -17.481 -49.082 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.356 -15.615 -49.011 1.00 2.42 H new ATOM 0 HG12 VAL A 74 5.911 -15.179 -48.264 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.514 -14.592 -49.896 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.276 -17.248 -50.864 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.431 -16.293 -51.824 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.773 -18.001 -51.464 1.00 20.32 H new ATOM 1196 N ARG A 75 8.610 -16.795 -47.933 1.00 32.22 N ATOM 1197 CA ARG A 75 9.255 -16.410 -46.683 1.00 2.22 C ATOM 1198 C ARG A 75 10.699 -15.982 -46.925 1.00 43.01 C ATOM 1199 O ARG A 75 11.289 -15.264 -46.118 1.00 52.32 O ATOM 1200 CB ARG A 75 9.215 -17.568 -45.685 1.00 70.20 C ATOM 1201 CG ARG A 75 7.817 -17.898 -45.189 1.00 33.21 C ATOM 1202 CD ARG A 75 7.307 -16.842 -44.221 1.00 64.25 C ATOM 1203 NE ARG A 75 6.680 -15.720 -44.914 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.412 -14.556 -44.335 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.717 -14.360 -43.060 1.00 43.22 N ATOM 1206 NH2 ARG A 75 5.839 -13.582 -45.033 1.00 22.23 N ATOM 0 H ARG A 75 8.502 -17.801 -48.060 1.00 32.22 H new ATOM 0 HA ARG A 75 8.708 -15.563 -46.268 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.644 -18.454 -46.153 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.846 -17.322 -44.831 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.137 -17.974 -46.038 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.824 -18.871 -44.698 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.587 -17.294 -43.538 1.00 64.25 H new ATOM 0 HD3 ARG A 75 8.136 -16.476 -43.615 1.00 64.25 H new ATOM 0 HE ARG A 75 6.434 -15.837 -45.897 1.00 60.01 H new ATOM 0 HH11 ARG A 75 7.159 -15.105 -42.521 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.510 -13.464 -42.618 1.00 43.22 H new ATOM 0 HH21 ARG A 75 5.604 -13.728 -46.015 1.00 22.23 H new ATOM 0 HH22 ARG A 75 5.633 -12.688 -44.587 1.00 22.23 H new ATOM 1220 N SER A 76 11.263 -16.428 -48.043 1.00 13.42 N ATOM 1221 CA SER A 76 12.639 -16.096 -48.390 1.00 72.25 C ATOM 1222 C SER A 76 12.714 -14.734 -49.075 1.00 24.11 C ATOM 1223 O SER A 76 13.756 -14.081 -49.071 1.00 72.30 O ATOM 1224 CB SER A 76 13.232 -17.171 -49.303 1.00 52.34 C ATOM 1225 OG SER A 76 13.872 -18.185 -48.548 1.00 11.12 O ATOM 0 H SER A 76 10.788 -17.020 -48.724 1.00 13.42 H new ATOM 0 HA SER A 76 13.219 -16.052 -47.468 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.443 -17.611 -49.913 1.00 52.34 H new ATOM 0 HB3 SER A 76 13.948 -16.716 -49.988 1.00 52.34 H new ATOM 0 HG SER A 76 13.217 -18.870 -48.299 1.00 11.12 H new ATOM 1231 N ASN A 77 11.598 -14.314 -49.664 1.00 61.11 N ATOM 1232 CA ASN A 77 11.535 -13.030 -50.354 1.00 63.22 C ATOM 1233 C ASN A 77 11.001 -11.941 -49.429 1.00 4.51 C ATOM 1234 O ASN A 77 10.508 -10.910 -49.887 1.00 30.21 O ATOM 1235 CB ASN A 77 10.650 -13.139 -51.597 1.00 34.15 C ATOM 1236 CG ASN A 77 11.398 -13.697 -52.792 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.396 -13.127 -53.235 1.00 62.33 O ATOM 1238 ND2 ASN A 77 10.917 -14.816 -53.322 1.00 63.33 N ATOM 0 H ASN A 77 10.726 -14.843 -49.677 1.00 61.11 H new ATOM 0 HA ASN A 77 12.546 -12.759 -50.659 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.795 -13.778 -51.376 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.256 -12.154 -51.846 1.00 34.15 H new ATOM 0 HD21 ASN A 77 11.377 -15.237 -54.129 1.00 63.33 H new ATOM 0 HD22 ASN A 77 10.087 -15.254 -52.922 1.00 63.33 H new ATOM 1245 N VAL A 78 11.103 -12.177 -48.125 1.00 54.35 N ATOM 1246 CA VAL A 78 10.632 -11.216 -47.135 1.00 25.14 C ATOM 1247 C VAL A 78 11.711 -10.188 -46.810 1.00 53.34 C ATOM 1248 O VAL A 78 12.878 -10.536 -46.621 1.00 13.31 O ATOM 1249 CB VAL A 78 10.198 -11.917 -45.835 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.398 -12.537 -45.135 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.482 -10.938 -44.916 1.00 61.01 C ATOM 0 H VAL A 78 11.508 -13.026 -47.730 1.00 54.35 H new ATOM 0 HA VAL A 78 9.771 -10.709 -47.570 1.00 25.14 H new ATOM 0 HB VAL A 78 9.503 -12.717 -46.089 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.071 -13.028 -44.218 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.864 -13.271 -45.793 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.120 -11.758 -44.892 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.182 -11.450 -44.002 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.152 -10.115 -44.668 1.00 61.01 H new ATOM 0 HG23 VAL A 78 8.598 -10.547 -45.419 1.00 61.01 H new ATOM 1261 N ASP A 79 11.315 -8.923 -46.745 1.00 75.02 N ATOM 1262 CA ASP A 79 12.248 -7.844 -46.441 1.00 32.13 C ATOM 1263 C ASP A 79 11.667 -6.903 -45.391 1.00 22.35 C ATOM 1264 O ASP A 79 10.549 -7.102 -44.915 1.00 11.20 O ATOM 1265 CB ASP A 79 12.588 -7.062 -47.711 1.00 14.11 C ATOM 1266 CG ASP A 79 12.675 -7.954 -48.934 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.455 -8.927 -48.903 1.00 63.45 O ATOM 1268 OD2 ASP A 79 11.964 -7.676 -49.922 1.00 12.03 O ATOM 0 H ASP A 79 10.354 -8.618 -46.899 1.00 75.02 H new ATOM 0 HA ASP A 79 13.160 -8.288 -46.041 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.830 -6.296 -47.877 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.538 -6.546 -47.573 1.00 14.11 H new ATOM 1273 N ALA A 80 12.433 -5.878 -45.032 1.00 44.44 N ATOM 1274 CA ALA A 80 11.994 -4.907 -44.038 1.00 1.03 C ATOM 1275 C ALA A 80 10.714 -4.208 -44.482 1.00 60.14 C ATOM 1276 O ALA A 80 9.694 -4.264 -43.794 1.00 3.35 O ATOM 1277 CB ALA A 80 13.091 -3.885 -43.778 1.00 43.13 C ATOM 0 H ALA A 80 13.361 -5.699 -45.415 1.00 44.44 H new ATOM 0 HA ALA A 80 11.783 -5.442 -43.112 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.749 -3.166 -43.034 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.982 -4.393 -43.409 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.329 -3.363 -44.705 1.00 43.13 H new ATOM 1283 N ALA A 81 10.773 -3.550 -45.635 1.00 21.32 N ATOM 1284 CA ALA A 81 9.617 -2.841 -46.170 1.00 55.31 C ATOM 1285 C ALA A 81 8.390 -3.747 -46.215 1.00 31.04 C ATOM 1286 O ALA A 81 7.359 -3.441 -45.616 1.00 33.41 O ATOM 1287 CB ALA A 81 9.926 -2.301 -47.558 1.00 13.35 C ATOM 0 H ALA A 81 11.609 -3.493 -46.217 1.00 21.32 H new ATOM 0 HA ALA A 81 9.396 -2.005 -45.507 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.054 -1.774 -47.946 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.770 -1.614 -47.501 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.175 -3.128 -48.223 1.00 13.35 H new ATOM 1293 N SER A 82 8.509 -4.862 -46.929 1.00 54.12 N ATOM 1294 CA SER A 82 7.407 -5.809 -47.055 1.00 14.13 C ATOM 1295 C SER A 82 6.901 -6.240 -45.681 1.00 30.51 C ATOM 1296 O SER A 82 5.705 -6.175 -45.402 1.00 1.33 O ATOM 1297 CB SER A 82 7.852 -7.036 -47.855 1.00 73.02 C ATOM 1298 OG SER A 82 8.824 -6.687 -48.826 1.00 11.21 O ATOM 0 H SER A 82 9.356 -5.132 -47.429 1.00 54.12 H new ATOM 0 HA SER A 82 6.593 -5.314 -47.584 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.262 -7.786 -47.179 1.00 73.02 H new ATOM 0 HB3 SER A 82 6.989 -7.487 -48.345 1.00 73.02 H new ATOM 0 HG SER A 82 9.093 -7.488 -49.322 1.00 11.21 H new ATOM 1304 N ALA A 83 7.822 -6.678 -44.830 1.00 34.11 N ATOM 1305 CA ALA A 83 7.470 -7.118 -43.485 1.00 62.10 C ATOM 1306 C ALA A 83 6.638 -6.063 -42.763 1.00 53.55 C ATOM 1307 O ALA A 83 5.610 -6.375 -42.162 1.00 1.10 O ATOM 1308 CB ALA A 83 8.726 -7.438 -42.689 1.00 14.31 C ATOM 0 H ALA A 83 8.817 -6.738 -45.047 1.00 34.11 H new ATOM 0 HA ALA A 83 6.868 -8.022 -43.571 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.448 -7.765 -41.687 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.281 -8.232 -43.189 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.350 -6.547 -42.620 1.00 14.31 H new ATOM 1314 N ARG A 84 7.089 -4.815 -42.826 1.00 14.24 N ATOM 1315 CA ARG A 84 6.387 -3.715 -42.176 1.00 42.23 C ATOM 1316 C ARG A 84 4.968 -3.579 -42.719 1.00 55.53 C ATOM 1317 O ARG A 84 4.009 -3.470 -41.956 1.00 43.13 O ATOM 1318 CB ARG A 84 7.149 -2.404 -42.379 1.00 72.41 C ATOM 1319 CG ARG A 84 8.337 -2.240 -41.446 1.00 43.35 C ATOM 1320 CD ARG A 84 9.187 -1.038 -41.831 1.00 30.14 C ATOM 1321 NE ARG A 84 8.381 0.167 -42.010 1.00 24.42 N ATOM 1322 CZ ARG A 84 8.877 1.328 -42.422 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.170 1.440 -42.697 1.00 30.24 N ATOM 1324 NH2 ARG A 84 8.080 2.379 -42.560 1.00 14.35 N ATOM 0 H ARG A 84 7.938 -4.540 -43.321 1.00 14.24 H new ATOM 0 HA ARG A 84 6.331 -3.934 -41.110 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.498 -2.352 -43.410 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.464 -1.569 -42.232 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.983 -2.123 -40.422 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.948 -3.142 -41.471 1.00 43.35 H new ATOM 0 HD2 ARG A 84 9.936 -0.862 -41.059 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.725 -1.255 -42.754 1.00 30.14 H new ATOM 0 HE ARG A 84 7.383 0.114 -41.807 1.00 24.42 H new ATOM 0 HH11 ARG A 84 10.785 0.633 -42.592 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.549 2.333 -43.013 1.00 30.24 H new ATOM 0 HH21 ARG A 84 7.085 2.296 -42.350 1.00 14.35 H new ATOM 0 HH22 ARG A 84 8.462 3.270 -42.876 1.00 14.35 H new ATOM 1338 N GLU A 85 4.843 -3.588 -44.043 1.00 51.11 N ATOM 1339 CA GLU A 85 3.541 -3.465 -44.687 1.00 55.12 C ATOM 1340 C GLU A 85 2.595 -4.567 -44.219 1.00 1.33 C ATOM 1341 O GLU A 85 1.480 -4.297 -43.771 1.00 32.23 O ATOM 1342 CB GLU A 85 3.693 -3.520 -46.209 1.00 75.34 C ATOM 1343 CG GLU A 85 4.611 -2.447 -46.768 1.00 45.21 C ATOM 1344 CD GLU A 85 4.086 -1.843 -48.056 1.00 21.03 C ATOM 1345 OE1 GLU A 85 4.167 -2.516 -49.105 1.00 3.32 O ATOM 1346 OE2 GLU A 85 3.592 -0.696 -48.015 1.00 42.31 O ATOM 0 H GLU A 85 5.627 -3.679 -44.689 1.00 51.11 H new ATOM 0 HA GLU A 85 3.115 -2.502 -44.406 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.078 -4.500 -46.492 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.709 -3.420 -46.668 1.00 75.34 H new ATOM 0 HG2 GLU A 85 4.736 -1.658 -46.026 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.597 -2.875 -46.947 1.00 45.21 H new ATOM 1353 N LEU A 86 3.048 -5.811 -44.328 1.00 22.40 N ATOM 1354 CA LEU A 86 2.244 -6.957 -43.916 1.00 21.33 C ATOM 1355 C LEU A 86 1.778 -6.805 -42.472 1.00 20.32 C ATOM 1356 O LEU A 86 0.585 -6.890 -42.181 1.00 2.34 O ATOM 1357 CB LEU A 86 3.045 -8.251 -44.072 1.00 74.11 C ATOM 1358 CG LEU A 86 3.618 -8.521 -45.464 1.00 10.31 C ATOM 1359 CD1 LEU A 86 4.831 -9.435 -45.373 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.557 -9.130 -46.368 1.00 0.22 C ATOM 0 H LEU A 86 3.967 -6.052 -44.698 1.00 22.40 H new ATOM 0 HA LEU A 86 1.365 -7.002 -44.559 1.00 21.33 H new ATOM 0 HB2 LEU A 86 3.869 -8.233 -43.359 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.403 -9.088 -43.796 1.00 74.11 H new ATOM 0 HG LEU A 86 3.935 -7.572 -45.896 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.226 -9.616 -46.373 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.598 -8.962 -44.760 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.539 -10.383 -44.921 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.982 -9.315 -47.354 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.210 -10.070 -45.940 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.717 -8.441 -46.459 1.00 0.22 H new ATOM 1372 N MET A 87 2.728 -6.577 -41.570 1.00 55.22 N ATOM 1373 CA MET A 87 2.415 -6.409 -40.156 1.00 3.41 C ATOM 1374 C MET A 87 1.439 -5.255 -39.948 1.00 3.31 C ATOM 1375 O MET A 87 0.610 -5.285 -39.038 1.00 33.02 O ATOM 1376 CB MET A 87 3.693 -6.161 -39.354 1.00 13.51 C ATOM 1377 CG MET A 87 4.323 -7.432 -38.806 1.00 72.40 C ATOM 1378 SD MET A 87 4.850 -8.563 -40.107 1.00 23.01 S ATOM 1379 CE MET A 87 3.352 -9.514 -40.357 1.00 34.44 C ATOM 0 H MET A 87 3.721 -6.504 -41.794 1.00 55.22 H new ATOM 0 HA MET A 87 1.946 -7.327 -39.803 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.417 -5.651 -39.989 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.468 -5.490 -38.525 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.182 -7.170 -38.188 1.00 72.40 H new ATOM 0 HG3 MET A 87 3.607 -7.938 -38.158 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.585 -10.578 -40.313 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.630 -9.268 -39.578 1.00 34.44 H new ATOM 0 HE3 MET A 87 2.928 -9.276 -41.333 1.00 34.44 H new ATOM 1389 N LEU A 88 1.543 -4.238 -40.797 1.00 0.04 N ATOM 1390 CA LEU A 88 0.670 -3.073 -40.707 1.00 32.32 C ATOM 1391 C LEU A 88 -0.780 -3.455 -40.989 1.00 31.41 C ATOM 1392 O LEU A 88 -1.664 -3.226 -40.165 1.00 51.04 O ATOM 1393 CB LEU A 88 1.125 -1.992 -41.689 1.00 71.42 C ATOM 1394 CG LEU A 88 0.792 -0.551 -41.304 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.375 0.421 -42.317 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.714 -0.365 -41.189 1.00 33.15 C ATOM 0 H LEU A 88 2.224 -4.197 -41.556 1.00 0.04 H new ATOM 0 HA LEU A 88 0.732 -2.682 -39.692 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.205 -2.073 -41.813 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.676 -2.200 -42.660 1.00 71.42 H new ATOM 0 HG LEU A 88 1.240 -0.342 -40.332 1.00 15.31 H new ATOM 0 HD11 LEU A 88 1.127 1.442 -42.026 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.458 0.306 -42.350 1.00 0.02 H new ATOM 0 HD13 LEU A 88 0.958 0.213 -43.302 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.933 0.667 -40.914 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -1.183 -0.593 -42.146 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.106 -1.035 -40.424 1.00 33.15 H new ATOM 1408 N ALA A 89 -1.014 -4.042 -42.159 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.355 -4.460 -42.548 1.00 72.31 C ATOM 1410 C ALA A 89 -2.868 -5.572 -41.639 1.00 53.31 C ATOM 1411 O ALA A 89 -3.993 -5.511 -41.143 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.365 -4.915 -43.999 1.00 53.34 C ATOM 0 H ALA A 89 -0.293 -4.238 -42.853 1.00 5.24 H new ATOM 0 HA ALA A 89 -3.021 -3.604 -42.443 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.373 -5.224 -44.276 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -2.049 -4.092 -44.640 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.681 -5.755 -44.122 1.00 53.34 H new ATOM 1418 N GLN A 90 -2.037 -6.588 -41.427 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.409 -7.714 -40.580 1.00 12.45 C ATOM 1420 C GLN A 90 -1.458 -7.842 -39.395 1.00 41.24 C ATOM 1421 O GLN A 90 -0.544 -8.668 -39.386 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.409 -9.012 -41.391 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.187 -9.173 -42.280 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.272 -10.395 -43.172 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -0.972 -10.330 -44.365 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.682 -11.520 -42.598 1.00 33.14 N ATOM 0 H GLN A 90 -1.102 -6.654 -41.830 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.414 -7.532 -40.198 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.464 -9.858 -40.706 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.305 -9.044 -42.010 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.073 -8.283 -42.899 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.296 -9.244 -41.657 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.920 -11.529 -41.606 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.758 -12.375 -43.149 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.673 -7.004 -38.370 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.845 -7.003 -37.160 1.00 32.24 C ATOM 1437 C PRO A 91 -1.057 -8.252 -36.312 1.00 54.10 C ATOM 1438 O PRO A 91 -0.344 -8.478 -35.334 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.319 -5.758 -36.407 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.715 -5.537 -36.879 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.743 -5.994 -38.312 1.00 34.13 C ATOM 0 HA PRO A 91 0.220 -6.996 -37.394 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.286 -5.911 -35.328 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.686 -4.898 -36.626 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.425 -6.101 -36.275 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.993 -4.486 -36.799 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.711 -6.418 -38.579 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.555 -5.170 -39.000 1.00 34.13 H new ATOM 1449 N SER A 92 -2.041 -9.061 -36.692 1.00 20.51 N ATOM 1450 CA SER A 92 -2.348 -10.286 -35.964 1.00 11.34 C ATOM 1451 C SER A 92 -1.135 -11.209 -35.918 1.00 43.02 C ATOM 1452 O SER A 92 -1.045 -12.091 -35.064 1.00 60.53 O ATOM 1453 CB SER A 92 -3.528 -11.010 -36.617 1.00 1.20 C ATOM 1454 OG SER A 92 -4.754 -10.373 -36.301 1.00 33.02 O ATOM 0 H SER A 92 -2.639 -8.890 -37.500 1.00 20.51 H new ATOM 0 HA SER A 92 -2.616 -10.015 -34.943 1.00 11.34 H new ATOM 0 HB2 SER A 92 -3.393 -11.030 -37.698 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.555 -12.046 -36.280 1.00 1.20 H new ATOM 0 HG SER A 92 -5.492 -10.853 -36.731 1.00 33.02 H new ATOM 1460 N MET A 93 -0.203 -11.000 -36.842 1.00 64.00 N ATOM 1461 CA MET A 93 1.007 -11.812 -36.905 1.00 11.03 C ATOM 1462 C MET A 93 2.033 -11.340 -35.879 1.00 22.03 C ATOM 1463 O MET A 93 2.952 -12.077 -35.522 1.00 62.52 O ATOM 1464 CB MET A 93 1.611 -11.756 -38.310 1.00 21.24 C ATOM 1465 CG MET A 93 1.027 -12.785 -39.264 1.00 71.33 C ATOM 1466 SD MET A 93 1.045 -12.233 -40.979 1.00 63.23 S ATOM 1467 CE MET A 93 2.362 -13.246 -41.648 1.00 50.03 C ATOM 0 H MET A 93 -0.262 -10.275 -37.557 1.00 64.00 H new ATOM 0 HA MET A 93 0.736 -12.842 -36.674 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.456 -10.760 -38.724 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.688 -11.908 -38.240 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.591 -13.714 -39.180 1.00 71.33 H new ATOM 0 HG3 MET A 93 0.001 -13.007 -38.969 1.00 71.33 H new ATOM 0 HE1 MET A 93 2.494 -13.019 -42.706 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.289 -13.037 -41.114 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.106 -14.299 -41.532 1.00 50.03 H new ATOM 1477 N VAL A 94 1.869 -10.108 -35.408 1.00 52.44 N ATOM 1478 CA VAL A 94 2.780 -9.540 -34.423 1.00 10.35 C ATOM 1479 C VAL A 94 2.816 -10.385 -33.155 1.00 43.41 C ATOM 1480 O VAL A 94 1.778 -10.820 -32.655 1.00 40.44 O ATOM 1481 CB VAL A 94 2.380 -8.098 -34.054 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.321 -7.536 -32.999 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.368 -7.216 -35.294 1.00 35.21 C ATOM 0 H VAL A 94 1.114 -9.485 -35.693 1.00 52.44 H new ATOM 0 HA VAL A 94 3.771 -9.530 -34.878 1.00 10.35 H new ATOM 0 HB VAL A 94 1.373 -8.114 -33.637 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.023 -6.517 -32.751 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.275 -8.156 -32.103 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.340 -7.532 -33.386 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.084 -6.201 -35.016 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.362 -7.205 -35.742 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.650 -7.610 -36.014 1.00 35.21 H new ATOM 1493 N LYS A 95 4.018 -10.615 -32.637 1.00 21.24 N ATOM 1494 CA LYS A 95 4.190 -11.408 -31.425 1.00 1.24 C ATOM 1495 C LYS A 95 3.290 -10.894 -30.307 1.00 13.35 C ATOM 1496 O LYS A 95 2.843 -9.748 -30.333 1.00 52.22 O ATOM 1497 CB LYS A 95 5.652 -11.374 -30.973 1.00 62.41 C ATOM 1498 CG LYS A 95 6.085 -12.621 -30.221 1.00 12.43 C ATOM 1499 CD LYS A 95 7.565 -12.903 -30.415 1.00 23.31 C ATOM 1500 CE LYS A 95 7.959 -14.247 -29.821 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.359 -15.383 -30.573 1.00 64.41 N ATOM 0 H LYS A 95 4.888 -10.263 -33.038 1.00 21.24 H new ATOM 0 HA LYS A 95 3.909 -12.437 -31.650 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.291 -11.247 -31.847 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.806 -10.503 -30.336 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.873 -12.498 -29.159 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.503 -13.475 -30.566 1.00 12.43 H new ATOM 0 HD2 LYS A 95 7.802 -12.891 -31.479 1.00 23.31 H new ATOM 0 HD3 LYS A 95 8.152 -12.112 -29.948 1.00 23.31 H new ATOM 0 HE2 LYS A 95 9.045 -14.342 -29.826 1.00 33.13 H new ATOM 0 HE3 LYS A 95 7.639 -14.292 -28.780 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.829 -16.269 -30.297 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 6.344 -15.446 -30.355 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.484 -15.228 -31.594 1.00 64.41 H new ATOM 1515 N ARG A 96 3.029 -11.750 -29.323 1.00 23.43 N ATOM 1516 CA ARG A 96 2.181 -11.382 -28.196 1.00 52.42 C ATOM 1517 C ARG A 96 2.157 -12.493 -27.149 1.00 73.24 C ATOM 1518 O ARG A 96 2.464 -13.652 -27.430 1.00 25.00 O ATOM 1519 CB ARG A 96 0.759 -11.086 -28.674 1.00 2.41 C ATOM 1520 CG ARG A 96 0.327 -11.931 -29.860 1.00 32.35 C ATOM 1521 CD ARG A 96 0.437 -13.417 -29.555 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.561 -14.201 -30.278 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.444 -15.503 -30.512 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.621 -16.165 -30.082 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.395 -16.147 -31.178 1.00 31.42 N ATOM 0 H ARG A 96 3.393 -12.702 -29.284 1.00 23.43 H new ATOM 0 HA ARG A 96 2.597 -10.484 -27.739 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.066 -11.251 -27.849 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.688 -10.032 -28.944 1.00 2.41 H new ATOM 0 HG2 ARG A 96 -0.702 -11.688 -30.126 1.00 32.35 H new ATOM 0 HG3 ARG A 96 0.945 -11.689 -30.725 1.00 32.35 H new ATOM 0 HD2 ARG A 96 1.434 -13.768 -29.819 1.00 1.31 H new ATOM 0 HD3 ARG A 96 0.316 -13.577 -28.484 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.393 -13.722 -30.622 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.354 -15.674 -29.570 1.00 21.10 H new ATOM 0 HH12 ARG A 96 0.708 -17.165 -30.264 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -2.216 -15.642 -31.510 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.304 -17.147 -31.357 1.00 31.42 H new ATOM 1539 N PRO A 97 1.781 -12.133 -25.913 1.00 5.45 N ATOM 1540 CA PRO A 97 1.413 -10.757 -25.566 1.00 55.21 C ATOM 1541 C PRO A 97 2.612 -9.815 -25.583 1.00 1.12 C ATOM 1542 O PRO A 97 3.751 -10.238 -25.388 1.00 11.34 O ATOM 1543 CB PRO A 97 0.855 -10.887 -24.147 1.00 63.23 C ATOM 1544 CG PRO A 97 1.505 -12.108 -23.593 1.00 53.40 C ATOM 1545 CD PRO A 97 1.690 -13.041 -24.757 1.00 14.11 C ATOM 0 HA PRO A 97 0.707 -10.331 -26.279 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.090 -10.007 -23.548 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.230 -10.986 -24.156 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.462 -11.865 -23.131 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.885 -12.564 -22.821 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.591 -13.645 -24.649 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.853 -13.732 -24.854 1.00 14.11 H new ATOM 1553 N VAL A 98 2.347 -8.533 -25.819 1.00 75.11 N ATOM 1554 CA VAL A 98 3.404 -7.530 -25.859 1.00 22.51 C ATOM 1555 C VAL A 98 3.217 -6.489 -24.762 1.00 20.24 C ATOM 1556 O VAL A 98 2.100 -6.034 -24.505 1.00 74.34 O ATOM 1557 CB VAL A 98 3.450 -6.818 -27.225 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.513 -5.730 -27.224 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.701 -7.821 -28.340 1.00 73.13 C ATOM 0 H VAL A 98 1.410 -8.166 -25.985 1.00 75.11 H new ATOM 0 HA VAL A 98 4.345 -8.056 -25.699 1.00 22.51 H new ATOM 0 HB VAL A 98 2.483 -6.347 -27.403 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.531 -5.238 -28.197 1.00 65.22 H new ATOM 0 HG12 VAL A 98 4.283 -4.997 -26.451 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.488 -6.174 -27.024 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.730 -7.301 -29.297 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.654 -8.323 -28.170 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.899 -8.559 -28.353 1.00 73.13 H new ATOM 1569 N LEU A 99 4.315 -6.113 -24.116 1.00 44.10 N ATOM 1570 CA LEU A 99 4.272 -5.124 -23.044 1.00 22.24 C ATOM 1571 C LEU A 99 5.015 -3.853 -23.446 1.00 30.44 C ATOM 1572 O LEU A 99 6.172 -3.906 -23.861 1.00 63.23 O ATOM 1573 CB LEU A 99 4.882 -5.702 -21.765 1.00 31.22 C ATOM 1574 CG LEU A 99 3.940 -6.523 -20.885 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.395 -7.717 -21.653 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.655 -6.981 -19.622 1.00 2.44 C ATOM 0 H LEU A 99 5.246 -6.478 -24.316 1.00 44.10 H new ATOM 0 HA LEU A 99 3.228 -4.870 -22.859 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.729 -6.330 -22.042 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.277 -4.878 -21.170 1.00 31.22 H new ATOM 0 HG LEU A 99 3.101 -5.890 -20.596 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.726 -8.289 -21.010 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.846 -7.367 -22.527 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.221 -8.352 -21.973 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.970 -7.564 -19.007 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.513 -7.596 -19.892 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.995 -6.111 -19.061 1.00 2.44 H new ATOM 1588 N GLU A 100 4.341 -2.715 -23.318 1.00 64.22 N ATOM 1589 CA GLU A 100 4.938 -1.431 -23.667 1.00 43.31 C ATOM 1590 C GLU A 100 5.164 -0.580 -22.421 1.00 30.33 C ATOM 1591 O GLU A 100 4.324 -0.541 -21.523 1.00 5.33 O ATOM 1592 CB GLU A 100 4.046 -0.681 -24.657 1.00 12.53 C ATOM 1593 CG GLU A 100 4.805 0.286 -25.550 1.00 51.33 C ATOM 1594 CD GLU A 100 4.924 1.671 -24.945 1.00 23.35 C ATOM 1595 OE1 GLU A 100 4.438 1.865 -23.810 1.00 3.32 O ATOM 1596 OE2 GLU A 100 5.501 2.560 -25.604 1.00 13.23 O ATOM 0 H GLU A 100 3.382 -2.656 -22.976 1.00 64.22 H new ATOM 0 HA GLU A 100 5.904 -1.623 -24.134 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.523 -1.405 -25.282 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.286 -0.130 -24.103 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.803 -0.109 -25.741 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.300 0.357 -26.513 1.00 51.33 H new ATOM 1603 N ARG A 101 6.305 0.102 -22.376 1.00 4.25 N ATOM 1604 CA ARG A 101 6.643 0.951 -21.241 1.00 32.41 C ATOM 1605 C ARG A 101 7.710 1.972 -21.624 1.00 74.21 C ATOM 1606 O ARG A 101 8.854 1.613 -21.904 1.00 12.55 O ATOM 1607 CB ARG A 101 7.134 0.101 -20.068 1.00 44.21 C ATOM 1608 CG ARG A 101 6.938 0.760 -18.713 1.00 1.21 C ATOM 1609 CD ARG A 101 8.139 1.608 -18.328 1.00 54.35 C ATOM 1610 NE ARG A 101 9.285 0.791 -17.937 1.00 52.24 N ATOM 1611 CZ ARG A 101 10.381 1.284 -17.373 1.00 25.22 C ATOM 1612 NH1 ARG A 101 10.479 2.584 -17.132 1.00 24.34 N ATOM 1613 NH2 ARG A 101 11.382 0.476 -17.046 1.00 11.44 N ATOM 0 H ARG A 101 7.010 0.082 -23.113 1.00 4.25 H new ATOM 0 HA ARG A 101 5.743 1.487 -20.941 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.608 -0.854 -20.077 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.193 -0.117 -20.207 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.044 1.383 -18.736 1.00 1.21 H new ATOM 0 HG3 ARG A 101 6.774 -0.006 -17.955 1.00 1.21 H new ATOM 0 HD2 ARG A 101 8.417 2.244 -19.168 1.00 54.35 H new ATOM 0 HD3 ARG A 101 7.867 2.268 -17.505 1.00 54.35 H new ATOM 0 HE ARG A 101 9.241 -0.214 -18.107 1.00 52.24 H new ATOM 0 HH11 ARG A 101 9.711 3.208 -17.380 1.00 24.34 H new ATOM 0 HH12 ARG A 101 11.322 2.960 -16.699 1.00 24.34 H new ATOM 0 HH21 ARG A 101 11.310 -0.525 -17.228 1.00 11.44 H new ATOM 0 HH22 ARG A 101 12.224 0.856 -16.613 1.00 11.44 H new ATOM 1627 N ASP A 102 7.327 3.244 -21.635 1.00 73.03 N ATOM 1628 CA ASP A 102 8.251 4.317 -21.984 1.00 63.23 C ATOM 1629 C ASP A 102 8.900 4.057 -23.340 1.00 24.24 C ATOM 1630 O ASP A 102 10.035 4.462 -23.584 1.00 10.42 O ATOM 1631 CB ASP A 102 9.329 4.461 -20.909 1.00 41.13 C ATOM 1632 CG ASP A 102 9.926 5.854 -20.868 1.00 72.41 C ATOM 1633 OD1 ASP A 102 9.175 6.827 -21.090 1.00 51.21 O ATOM 1634 OD2 ASP A 102 11.143 5.971 -20.616 1.00 22.03 O ATOM 0 H ASP A 102 6.384 3.557 -21.406 1.00 73.03 H new ATOM 0 HA ASP A 102 7.683 5.245 -22.045 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.900 4.224 -19.935 1.00 41.13 H new ATOM 0 HB3 ASP A 102 10.121 3.735 -21.094 1.00 41.13 H new ATOM 1639 N GLY A 103 8.169 3.377 -24.219 1.00 2.43 N ATOM 1640 CA GLY A 103 8.689 3.074 -25.539 1.00 31.54 C ATOM 1641 C GLY A 103 9.332 1.702 -25.608 1.00 30.50 C ATOM 1642 O GLY A 103 9.410 1.098 -26.678 1.00 10.41 O ATOM 0 H GLY A 103 7.226 3.031 -24.040 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.879 3.129 -26.267 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.422 3.830 -25.820 1.00 31.54 H new ATOM 1646 N LYS A 104 9.793 1.208 -24.464 1.00 25.14 N ATOM 1647 CA LYS A 104 10.432 -0.100 -24.398 1.00 25.34 C ATOM 1648 C LYS A 104 9.405 -1.216 -24.562 1.00 14.23 C ATOM 1649 O LYS A 104 8.433 -1.296 -23.810 1.00 31.24 O ATOM 1650 CB LYS A 104 11.168 -0.263 -23.066 1.00 11.12 C ATOM 1651 CG LYS A 104 12.192 0.826 -22.799 1.00 33.24 C ATOM 1652 CD LYS A 104 12.844 0.658 -21.437 1.00 41.15 C ATOM 1653 CE LYS A 104 13.930 1.698 -21.207 1.00 4.32 C ATOM 1654 NZ LYS A 104 13.358 3.044 -20.926 1.00 32.45 N ATOM 0 H LYS A 104 9.736 1.695 -23.569 1.00 25.14 H new ATOM 0 HA LYS A 104 11.150 -0.168 -25.215 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.439 -0.270 -22.256 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.668 -1.231 -23.053 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.957 0.805 -23.575 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.709 1.802 -22.854 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.087 0.742 -20.657 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.273 -0.341 -21.358 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.558 1.389 -20.372 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.573 1.753 -22.086 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 14.130 3.725 -20.775 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 12.779 3.351 -21.734 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 12.765 2.998 -20.073 1.00 32.45 H new ATOM 1668 N LEU A 105 9.628 -2.077 -25.549 1.00 31.53 N ATOM 1669 CA LEU A 105 8.722 -3.190 -25.812 1.00 20.33 C ATOM 1670 C LEU A 105 9.275 -4.489 -25.234 1.00 75.31 C ATOM 1671 O LEU A 105 10.486 -4.701 -25.205 1.00 23.42 O ATOM 1672 CB LEU A 105 8.496 -3.344 -27.318 1.00 32.41 C ATOM 1673 CG LEU A 105 7.132 -3.894 -27.738 1.00 52.15 C ATOM 1674 CD1 LEU A 105 6.027 -2.914 -27.376 1.00 35.41 C ATOM 1675 CD2 LEU A 105 7.114 -4.193 -29.230 1.00 22.22 C ATOM 0 H LEU A 105 10.428 -2.026 -26.180 1.00 31.53 H new ATOM 0 HA LEU A 105 7.770 -2.974 -25.328 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.633 -2.370 -27.787 1.00 32.41 H new ATOM 0 HB3 LEU A 105 9.269 -4.001 -27.716 1.00 32.41 H new ATOM 0 HG LEU A 105 6.955 -4.825 -27.199 1.00 52.15 H new ATOM 0 HD11 LEU A 105 5.064 -3.322 -27.682 1.00 35.41 H new ATOM 0 HD12 LEU A 105 6.025 -2.749 -26.298 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.199 -1.967 -27.887 1.00 35.41 H new ATOM 0 HD21 LEU A 105 6.136 -4.583 -29.511 1.00 22.22 H new ATOM 0 HD22 LEU A 105 7.313 -3.277 -29.787 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.880 -4.933 -29.462 1.00 22.22 H new ATOM 1687 N MET A 106 8.377 -5.356 -24.778 1.00 74.33 N ATOM 1688 CA MET A 106 8.774 -6.636 -24.204 1.00 20.31 C ATOM 1689 C MET A 106 7.934 -7.773 -24.777 1.00 43.33 C ATOM 1690 O MET A 106 6.726 -7.632 -24.966 1.00 3.02 O ATOM 1691 CB MET A 106 8.634 -6.602 -22.680 1.00 44.33 C ATOM 1692 CG MET A 106 9.612 -7.516 -21.960 1.00 71.01 C ATOM 1693 SD MET A 106 9.493 -7.384 -20.166 1.00 50.21 S ATOM 1694 CE MET A 106 9.547 -9.111 -19.695 1.00 61.54 C ATOM 0 H MET A 106 7.370 -5.195 -24.795 1.00 74.33 H new ATOM 0 HA MET A 106 9.818 -6.813 -24.462 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.782 -5.579 -22.332 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.617 -6.887 -22.410 1.00 44.33 H new ATOM 0 HG2 MET A 106 9.426 -8.548 -22.258 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.628 -7.273 -22.272 1.00 71.01 H new ATOM 0 HE1 MET A 106 9.483 -9.194 -18.610 1.00 61.54 H new ATOM 0 HE2 MET A 106 8.708 -9.639 -20.150 1.00 61.54 H new ATOM 0 HE3 MET A 106 10.483 -9.553 -20.038 1.00 61.54 H new ATOM 1704 N VAL A 107 8.582 -8.901 -25.051 1.00 75.01 N ATOM 1705 CA VAL A 107 7.894 -10.063 -25.602 1.00 61.12 C ATOM 1706 C VAL A 107 7.413 -10.994 -24.494 1.00 44.11 C ATOM 1707 O VAL A 107 8.189 -11.397 -23.628 1.00 61.33 O ATOM 1708 CB VAL A 107 8.805 -10.851 -26.561 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.037 -11.997 -27.207 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.390 -9.928 -27.620 1.00 1.13 C ATOM 0 H VAL A 107 9.582 -9.035 -24.901 1.00 75.01 H new ATOM 0 HA VAL A 107 7.033 -9.688 -26.156 1.00 61.12 H new ATOM 0 HB VAL A 107 9.628 -11.275 -25.986 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.697 -12.543 -27.881 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.671 -12.672 -26.433 1.00 22.41 H new ATOM 0 HG13 VAL A 107 7.193 -11.598 -27.769 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.031 -10.502 -28.289 1.00 1.13 H new ATOM 0 HG22 VAL A 107 8.582 -9.474 -28.193 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.977 -9.146 -27.137 1.00 1.13 H new ATOM 1720 N GLY A 108 6.129 -11.333 -24.529 1.00 3.25 N ATOM 1721 CA GLY A 108 5.567 -12.215 -23.523 1.00 34.24 C ATOM 1722 C GLY A 108 6.199 -13.592 -23.540 1.00 63.12 C ATOM 1723 O GLY A 108 6.997 -13.906 -24.424 1.00 74.34 O ATOM 0 H GLY A 108 5.467 -11.013 -25.236 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.702 -11.769 -22.538 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.493 -12.309 -23.686 1.00 34.24 H new ATOM 1727 N PHE A 109 5.845 -14.417 -22.561 1.00 65.53 N ATOM 1728 CA PHE A 109 6.386 -15.768 -22.465 1.00 34.22 C ATOM 1729 C PHE A 109 5.337 -16.737 -21.926 1.00 13.12 C ATOM 1730 O PHE A 109 4.397 -16.334 -21.241 1.00 33.42 O ATOM 1731 CB PHE A 109 7.621 -15.783 -21.562 1.00 43.33 C ATOM 1732 CG PHE A 109 8.836 -15.168 -22.199 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.284 -15.607 -23.434 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.529 -14.152 -21.561 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.400 -15.044 -24.023 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.647 -13.585 -22.145 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.083 -14.032 -23.376 1.00 13.51 C ATOM 0 H PHE A 109 5.185 -14.174 -21.822 1.00 65.53 H new ATOM 0 HA PHE A 109 6.672 -16.089 -23.466 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.394 -15.248 -20.640 1.00 43.33 H new ATOM 0 HB3 PHE A 109 7.847 -16.813 -21.286 1.00 43.33 H new ATOM 0 HD1 PHE A 109 8.755 -16.399 -23.943 1.00 74.21 H new ATOM 0 HD2 PHE A 109 9.193 -13.799 -20.597 1.00 64.54 H new ATOM 0 HE1 PHE A 109 10.738 -15.394 -24.987 1.00 22.11 H new ATOM 0 HE2 PHE A 109 11.179 -12.793 -21.638 1.00 30.44 H new ATOM 0 HZ PHE A 109 11.957 -13.591 -23.833 1.00 13.51 H new ATOM 1747 N LYS A 110 5.506 -18.017 -22.241 1.00 53.10 N ATOM 1748 CA LYS A 110 4.577 -19.045 -21.789 1.00 31.01 C ATOM 1749 C LYS A 110 4.368 -18.965 -20.280 1.00 43.41 C ATOM 1750 O LYS A 110 5.169 -18.384 -19.548 1.00 73.41 O ATOM 1751 CB LYS A 110 5.095 -20.433 -22.169 1.00 1.21 C ATOM 1752 CG LYS A 110 4.422 -21.018 -23.398 1.00 30.45 C ATOM 1753 CD LYS A 110 5.048 -22.343 -23.800 1.00 25.15 C ATOM 1754 CE LYS A 110 4.323 -23.518 -23.163 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.062 -24.797 -23.357 1.00 33.33 N ATOM 0 H LYS A 110 6.278 -18.367 -22.808 1.00 53.10 H new ATOM 0 HA LYS A 110 3.619 -18.874 -22.280 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.169 -20.375 -22.346 1.00 1.21 H new ATOM 0 HB3 LYS A 110 4.947 -21.110 -21.327 1.00 1.21 H new ATOM 0 HG2 LYS A 110 3.360 -21.162 -23.198 1.00 30.45 H new ATOM 0 HG3 LYS A 110 4.498 -20.313 -24.226 1.00 30.45 H new ATOM 0 HD2 LYS A 110 5.023 -22.444 -24.885 1.00 25.15 H new ATOM 0 HD3 LYS A 110 6.096 -22.356 -23.502 1.00 25.15 H new ATOM 0 HE2 LYS A 110 4.195 -23.331 -22.097 1.00 71.12 H new ATOM 0 HE3 LYS A 110 3.326 -23.606 -23.594 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 4.535 -25.574 -22.908 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 5.163 -24.989 -24.374 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 6.005 -24.722 -22.924 1.00 33.33 H new ATOM 1769 N PRO A 111 3.266 -19.562 -19.802 1.00 3.22 N ATOM 1770 CA PRO A 111 2.928 -19.574 -18.376 1.00 31.43 C ATOM 1771 C PRO A 111 3.875 -20.449 -17.562 1.00 53.03 C ATOM 1772 O PRO A 111 4.392 -20.026 -16.529 1.00 72.25 O ATOM 1773 CB PRO A 111 1.511 -20.153 -18.352 1.00 2.05 C ATOM 1774 CG PRO A 111 1.416 -20.973 -19.593 1.00 62.33 C ATOM 1775 CD PRO A 111 2.267 -20.274 -20.616 1.00 71.40 C ATOM 0 HA PRO A 111 3.006 -18.582 -17.931 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.347 -20.761 -17.462 1.00 2.05 H new ATOM 0 HB3 PRO A 111 0.760 -19.363 -18.341 1.00 2.05 H new ATOM 0 HG2 PRO A 111 1.771 -21.989 -19.418 1.00 62.33 H new ATOM 0 HG3 PRO A 111 0.383 -21.050 -19.932 1.00 62.33 H new ATOM 0 HD2 PRO A 111 2.736 -20.982 -21.299 1.00 71.40 H new ATOM 0 HD3 PRO A 111 1.680 -19.586 -21.224 1.00 71.40 H new ATOM 1783 N ALA A 112 4.098 -21.671 -18.036 1.00 62.44 N ATOM 1784 CA ALA A 112 4.985 -22.605 -17.353 1.00 52.52 C ATOM 1785 C ALA A 112 6.390 -22.029 -17.219 1.00 34.24 C ATOM 1786 O ALA A 112 7.037 -22.181 -16.183 1.00 74.33 O ATOM 1787 CB ALA A 112 5.025 -23.933 -18.095 1.00 45.03 C ATOM 0 H ALA A 112 3.677 -22.037 -18.890 1.00 62.44 H new ATOM 0 HA ALA A 112 4.593 -22.773 -16.350 1.00 52.52 H new ATOM 0 HB1 ALA A 112 5.691 -24.621 -17.574 1.00 45.03 H new ATOM 0 HB2 ALA A 112 4.022 -24.358 -18.134 1.00 45.03 H new ATOM 0 HB3 ALA A 112 5.390 -23.772 -19.109 1.00 45.03 H new ATOM 1793 N GLN A 113 6.857 -21.367 -18.273 1.00 34.25 N ATOM 1794 CA GLN A 113 8.187 -20.770 -18.272 1.00 42.12 C ATOM 1795 C GLN A 113 8.247 -19.578 -17.321 1.00 63.54 C ATOM 1796 O GLN A 113 9.159 -19.470 -16.502 1.00 30.03 O ATOM 1797 CB GLN A 113 8.573 -20.330 -19.685 1.00 62.35 C ATOM 1798 CG GLN A 113 8.333 -21.397 -20.741 1.00 53.13 C ATOM 1799 CD GLN A 113 9.058 -22.693 -20.436 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.197 -22.686 -19.970 1.00 1.43 O ATOM 1801 NE2 GLN A 113 8.399 -23.816 -20.699 1.00 31.33 N ATOM 0 H GLN A 113 6.334 -21.231 -19.138 1.00 34.25 H new ATOM 0 HA GLN A 113 8.896 -21.523 -17.928 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.005 -19.437 -19.947 1.00 62.35 H new ATOM 0 HB3 GLN A 113 9.627 -20.051 -19.695 1.00 62.35 H new ATOM 0 HG2 GLN A 113 7.263 -21.593 -20.818 1.00 53.13 H new ATOM 0 HG3 GLN A 113 8.659 -21.022 -21.711 1.00 53.13 H new ATOM 0 HE21 GLN A 113 7.456 -23.775 -21.085 1.00 31.33 H new ATOM 0 HE22 GLN A 113 8.836 -24.719 -20.515 1.00 31.33 H new ATOM 1810 N TYR A 114 7.272 -18.685 -17.439 1.00 74.31 N ATOM 1811 CA TYR A 114 7.215 -17.499 -16.592 1.00 32.54 C ATOM 1812 C TYR A 114 7.232 -17.883 -15.115 1.00 30.52 C ATOM 1813 O TYR A 114 7.900 -17.241 -14.304 1.00 21.43 O ATOM 1814 CB TYR A 114 5.960 -16.683 -16.904 1.00 52.21 C ATOM 1815 CG TYR A 114 6.134 -15.197 -16.688 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.186 -14.508 -17.278 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.246 -14.481 -15.893 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.350 -13.149 -17.083 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.402 -13.123 -15.693 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.455 -12.462 -16.290 1.00 74.52 C ATOM 1821 OH TYR A 114 6.614 -11.109 -16.094 1.00 24.42 O ATOM 0 H TYR A 114 6.510 -18.759 -18.113 1.00 74.31 H new ATOM 0 HA TYR A 114 8.096 -16.892 -16.801 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.670 -16.859 -17.940 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.141 -17.039 -16.279 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.888 -15.043 -17.900 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.420 -14.995 -15.424 1.00 72.04 H new ATOM 0 HE1 TYR A 114 8.174 -12.629 -17.549 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.703 -12.582 -15.072 1.00 0.14 H new ATOM 0 HH TYR A 114 5.899 -10.777 -15.512 1.00 24.42 H new ATOM 1831 N GLU A 115 6.493 -18.933 -14.775 1.00 14.02 N ATOM 1832 CA GLU A 115 6.423 -19.404 -13.396 1.00 22.21 C ATOM 1833 C GLU A 115 7.750 -20.019 -12.963 1.00 15.44 C ATOM 1834 O GLU A 115 8.296 -19.672 -11.916 1.00 4.40 O ATOM 1835 CB GLU A 115 5.297 -20.427 -13.239 1.00 5.22 C ATOM 1836 CG GLU A 115 3.937 -19.908 -13.673 1.00 30.50 C ATOM 1837 CD GLU A 115 2.934 -19.879 -12.536 1.00 42.21 C ATOM 1838 OE1 GLU A 115 2.470 -20.964 -12.127 1.00 14.10 O ATOM 1839 OE2 GLU A 115 2.613 -18.772 -12.055 1.00 54.12 O ATOM 0 H GLU A 115 5.934 -19.474 -15.435 1.00 14.02 H new ATOM 0 HA GLU A 115 6.215 -18.546 -12.756 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.541 -21.315 -13.822 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.242 -20.737 -12.195 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.049 -18.903 -14.080 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.552 -20.536 -14.476 1.00 30.50 H new ATOM 1846 N ALA A 116 8.263 -20.936 -13.776 1.00 50.22 N ATOM 1847 CA ALA A 116 9.526 -21.601 -13.480 1.00 4.31 C ATOM 1848 C ALA A 116 10.670 -20.595 -13.403 1.00 51.44 C ATOM 1849 O ALA A 116 11.666 -20.824 -12.714 1.00 72.23 O ATOM 1850 CB ALA A 116 9.824 -22.662 -14.528 1.00 54.13 C ATOM 0 H ALA A 116 7.823 -21.236 -14.646 1.00 50.22 H new ATOM 0 HA ALA A 116 9.434 -22.084 -12.507 1.00 4.31 H new ATOM 0 HB1 ALA A 116 10.770 -23.150 -14.293 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.025 -23.403 -14.533 1.00 54.13 H new ATOM 0 HB3 ALA A 116 9.891 -22.194 -15.510 1.00 54.13 H new ATOM 1856 N TYR A 117 10.522 -19.483 -14.112 1.00 54.32 N ATOM 1857 CA TYR A 117 11.545 -18.443 -14.127 1.00 43.12 C ATOM 1858 C TYR A 117 11.409 -17.529 -12.913 1.00 23.32 C ATOM 1859 O TYR A 117 12.405 -17.102 -12.328 1.00 72.22 O ATOM 1860 CB TYR A 117 11.449 -17.621 -15.413 1.00 24.03 C ATOM 1861 CG TYR A 117 12.448 -16.489 -15.484 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.785 -16.695 -15.166 1.00 53.14 C ATOM 1863 CD2 TYR A 117 12.056 -15.214 -15.870 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.702 -15.663 -15.229 1.00 11.13 C ATOM 1865 CE2 TYR A 117 12.966 -14.176 -15.938 1.00 40.30 C ATOM 1866 CZ TYR A 117 14.287 -14.406 -15.616 1.00 14.53 C ATOM 1867 OH TYR A 117 15.197 -13.376 -15.681 1.00 31.20 O ATOM 0 H TYR A 117 9.703 -19.277 -14.685 1.00 54.32 H new ATOM 0 HA TYR A 117 12.521 -18.928 -14.087 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.599 -18.281 -16.268 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.442 -17.212 -15.498 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.113 -17.679 -14.864 1.00 53.14 H new ATOM 0 HD2 TYR A 117 11.022 -15.030 -16.121 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.737 -15.840 -14.977 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.644 -13.191 -16.241 1.00 40.30 H new ATOM 0 HH TYR A 117 14.744 -12.557 -15.971 1.00 31.20 H new ATOM 1877 N PHE A 118 10.169 -17.232 -12.540 1.00 14.14 N ATOM 1878 CA PHE A 118 9.901 -16.367 -11.396 1.00 2.10 C ATOM 1879 C PHE A 118 10.572 -16.907 -10.138 1.00 23.32 C ATOM 1880 O PHE A 118 10.935 -16.148 -9.239 1.00 14.34 O ATOM 1881 CB PHE A 118 8.393 -16.239 -11.170 1.00 24.24 C ATOM 1882 CG PHE A 118 7.976 -14.893 -10.652 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.329 -14.486 -9.375 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.233 -14.031 -11.444 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.947 -13.248 -8.897 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.847 -12.791 -10.970 1.00 41.31 C ATOM 1887 CZ PHE A 118 7.207 -12.399 -9.696 1.00 31.03 C ATOM 0 H PHE A 118 9.334 -17.577 -13.013 1.00 14.14 H new ATOM 0 HA PHE A 118 10.314 -15.381 -11.611 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.875 -16.434 -12.109 1.00 24.24 H new ATOM 0 HB3 PHE A 118 8.073 -17.006 -10.464 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.910 -15.145 -8.746 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.953 -14.332 -12.443 1.00 55.11 H new ATOM 0 HE1 PHE A 118 8.227 -12.944 -7.899 1.00 73.25 H new ATOM 0 HE2 PHE A 118 6.265 -12.130 -11.595 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.910 -11.429 -9.325 1.00 31.03 H new ATOM 1897 N LYS A 119 10.732 -18.226 -10.079 1.00 45.31 N ATOM 1898 CA LYS A 119 11.360 -18.870 -8.931 1.00 73.12 C ATOM 1899 C LYS A 119 12.880 -18.781 -9.021 1.00 53.44 C ATOM 1900 O LYS A 119 13.472 -19.122 -10.046 1.00 11.14 O ATOM 1901 CB LYS A 119 10.928 -20.335 -8.845 1.00 41.45 C ATOM 1902 CG LYS A 119 11.269 -20.992 -7.518 1.00 3.34 C ATOM 1903 CD LYS A 119 10.502 -22.289 -7.324 1.00 40.53 C ATOM 1904 CE LYS A 119 10.242 -22.568 -5.851 1.00 22.25 C ATOM 1905 NZ LYS A 119 9.684 -23.931 -5.636 1.00 11.40 N ATOM 0 H LYS A 119 10.435 -18.869 -10.813 1.00 45.31 H new ATOM 0 HA LYS A 119 11.037 -18.348 -8.030 1.00 73.12 H new ATOM 0 HB2 LYS A 119 9.852 -20.398 -9.006 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.404 -20.894 -9.651 1.00 41.45 H new ATOM 0 HG2 LYS A 119 12.340 -21.192 -7.474 1.00 3.34 H new ATOM 0 HG3 LYS A 119 11.039 -20.307 -6.702 1.00 3.34 H new ATOM 0 HD2 LYS A 119 9.553 -22.235 -7.858 1.00 40.53 H new ATOM 0 HD3 LYS A 119 11.066 -23.115 -7.758 1.00 40.53 H new ATOM 0 HE2 LYS A 119 11.172 -22.464 -5.292 1.00 22.25 H new ATOM 0 HE3 LYS A 119 9.548 -21.825 -5.457 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 9.521 -24.083 -4.620 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 8.784 -24.023 -6.149 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 10.357 -24.641 -5.988 1.00 11.40 H new ATOM 1919 N LEU A 120 13.506 -18.322 -7.944 1.00 51.43 N ATOM 1920 CA LEU A 120 14.958 -18.190 -7.900 1.00 62.11 C ATOM 1921 C LEU A 120 15.635 -19.535 -8.147 1.00 51.03 C ATOM 1922 O LEU A 120 16.274 -19.739 -9.179 1.00 22.42 O ATOM 1923 CB LEU A 120 15.399 -17.625 -6.549 1.00 40.12 C ATOM 1924 CG LEU A 120 15.383 -18.606 -5.375 1.00 62.42 C ATOM 1925 CD1 LEU A 120 16.723 -19.313 -5.252 1.00 62.14 C ATOM 1926 CD2 LEU A 120 15.039 -17.882 -4.081 1.00 30.24 C ATOM 0 H LEU A 120 13.031 -18.035 -7.088 1.00 51.43 H new ATOM 0 HA LEU A 120 15.259 -17.502 -8.690 1.00 62.11 H new ATOM 0 HB2 LEU A 120 16.410 -17.232 -6.654 1.00 40.12 H new ATOM 0 HB3 LEU A 120 14.753 -16.782 -6.302 1.00 40.12 H new ATOM 0 HG LEU A 120 14.616 -19.357 -5.564 1.00 62.42 H new ATOM 0 HD11 LEU A 120 16.693 -20.007 -4.412 1.00 62.14 H new ATOM 0 HD12 LEU A 120 16.929 -19.864 -6.170 1.00 62.14 H new ATOM 0 HD13 LEU A 120 17.509 -18.576 -5.086 1.00 62.14 H new ATOM 0 HD21 LEU A 120 15.032 -18.595 -3.256 1.00 30.24 H new ATOM 0 HD22 LEU A 120 15.783 -17.110 -3.887 1.00 30.24 H new ATOM 0 HD23 LEU A 120 14.055 -17.422 -4.172 1.00 30.24 H new TER 1938 LEU A 120