USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 864 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.111 K(o=0.11,f=-2.4!) USER MOD Single : A 8 THR OG1 : rot -19:sc= 0.502 USER MOD Single : A 9 SER OG : rot 61:sc= 1.23 USER MOD Single : A 11 ASN : amide:sc= -0.852 K(o=-0.85,f=-1.7) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.65 K(o=-1.7,f=-9.2!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 94:sc= 0.295 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -2.17! C(o=-2.2!,f=-3.2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.253 X(o=-0.25,f=0.0003) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.671 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.239 USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= 0.0438 (180deg=-0.104) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -8:sc= 0.773 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 72 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.5!) USER MOD Single : A 73 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 78 MET CE :methyl -167:sc= -2.15! (180deg=-2.59!) USER MOD Single : A 80 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 81 ASN : amide:sc= -1.4 K(o=-1.4,f=-4!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0056) USER MOD Single : A 102 THR OG1 : rot -23:sc= 0.236 USER MOD Single : A 103 TYR OH : rot -147:sc= -2.33 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.260 0.330 -4.019 1.00 10.22 N ATOM 2 CA MET A 1 11.335 -0.362 -4.720 1.00 20.31 C ATOM 3 C MET A 1 11.028 -1.851 -4.852 1.00 11.43 C ATOM 4 O MET A 1 11.150 -2.607 -3.888 1.00 50.11 O ATOM 5 CB MET A 1 12.662 -0.167 -3.984 1.00 12.33 C ATOM 6 CG MET A 1 13.252 1.224 -4.153 1.00 73.14 C ATOM 7 SD MET A 1 15.024 1.271 -3.825 1.00 41.33 S ATOM 8 CE MET A 1 15.038 1.233 -2.035 1.00 20.44 C ATOM 0 H1 MET A 1 10.491 1.341 -3.941 1.00 10.22 H new ATOM 0 H2 MET A 1 9.372 0.217 -4.548 1.00 10.22 H new ATOM 0 H3 MET A 1 10.150 -0.074 -3.067 1.00 10.22 H new ATOM 0 HA MET A 1 11.416 0.065 -5.720 1.00 20.31 H new ATOM 0 HB2 MET A 1 12.511 -0.362 -2.922 1.00 12.33 H new ATOM 0 HB3 MET A 1 13.380 -0.904 -4.345 1.00 12.33 H new ATOM 0 HG2 MET A 1 13.065 1.573 -5.169 1.00 73.14 H new ATOM 0 HG3 MET A 1 12.743 1.914 -3.480 1.00 73.14 H new ATOM 0 HE1 MET A 1 16.068 1.257 -1.679 1.00 20.44 H new ATOM 0 HE2 MET A 1 14.500 2.099 -1.648 1.00 20.44 H new ATOM 0 HE3 MET A 1 14.555 0.320 -1.687 1.00 20.44 H new ATOM 18 N SER A 2 10.628 -2.264 -6.050 1.00 65.11 N ATOM 19 CA SER A 2 10.300 -3.662 -6.306 1.00 51.53 C ATOM 20 C SER A 2 9.109 -4.103 -5.461 1.00 73.15 C ATOM 21 O SER A 2 8.683 -3.395 -4.549 1.00 55.21 O ATOM 22 CB SER A 2 11.507 -4.554 -6.012 1.00 3.44 C ATOM 23 OG SER A 2 12.706 -3.960 -6.479 1.00 61.24 O ATOM 0 H SER A 2 10.523 -1.651 -6.859 1.00 65.11 H new ATOM 0 HA SER A 2 10.034 -3.760 -7.358 1.00 51.53 H new ATOM 0 HB2 SER A 2 11.579 -4.731 -4.939 1.00 3.44 H new ATOM 0 HB3 SER A 2 11.370 -5.525 -6.487 1.00 3.44 H new ATOM 0 HG SER A 2 13.463 -4.549 -6.277 1.00 61.24 H new ATOM 29 N LYS A 3 8.575 -5.280 -5.772 1.00 51.41 N ATOM 30 CA LYS A 3 7.434 -5.819 -5.043 1.00 35.04 C ATOM 31 C LYS A 3 7.128 -7.246 -5.488 1.00 3.33 C ATOM 32 O LYS A 3 7.795 -7.787 -6.369 1.00 12.23 O ATOM 33 CB LYS A 3 6.203 -4.934 -5.253 1.00 1.44 C ATOM 34 CG LYS A 3 5.768 -4.191 -4.001 1.00 54.24 C ATOM 35 CD LYS A 3 5.711 -2.690 -4.235 1.00 75.51 C ATOM 36 CE LYS A 3 5.545 -1.929 -2.929 1.00 4.20 C ATOM 37 NZ LYS A 3 4.147 -1.456 -2.736 1.00 35.14 N ATOM 0 H LYS A 3 8.915 -5.879 -6.525 1.00 51.41 H new ATOM 0 HA LYS A 3 7.687 -5.834 -3.983 1.00 35.04 H new ATOM 0 HB2 LYS A 3 6.416 -4.210 -6.040 1.00 1.44 H new ATOM 0 HB3 LYS A 3 5.377 -5.552 -5.604 1.00 1.44 H new ATOM 0 HG2 LYS A 3 4.788 -4.549 -3.687 1.00 54.24 H new ATOM 0 HG3 LYS A 3 6.462 -4.408 -3.189 1.00 54.24 H new ATOM 0 HD2 LYS A 3 6.623 -2.364 -4.734 1.00 75.51 H new ATOM 0 HD3 LYS A 3 4.881 -2.456 -4.902 1.00 75.51 H new ATOM 0 HE2 LYS A 3 5.829 -2.572 -2.096 1.00 4.20 H new ATOM 0 HE3 LYS A 3 6.222 -1.075 -2.918 1.00 4.20 H new ATOM 0 HZ1 LYS A 3 4.076 -0.942 -1.835 1.00 35.14 H new ATOM 0 HZ2 LYS A 3 3.884 -0.822 -3.518 1.00 35.14 H new ATOM 0 HZ3 LYS A 3 3.503 -2.273 -2.721 1.00 35.14 H new ATOM 51 N ASN A 4 6.115 -7.849 -4.873 1.00 45.54 N ATOM 52 CA ASN A 4 5.722 -9.212 -5.208 1.00 35.43 C ATOM 53 C ASN A 4 5.363 -9.328 -6.686 1.00 71.21 C ATOM 54 O ASN A 4 4.293 -8.894 -7.110 1.00 75.45 O ATOM 55 CB ASN A 4 4.533 -9.648 -4.348 1.00 4.55 C ATOM 56 CG ASN A 4 3.436 -8.601 -4.305 1.00 64.32 C ATOM 57 OD1 ASN A 4 3.575 -7.567 -3.652 1.00 51.23 O ATOM 58 ND2 ASN A 4 2.338 -8.867 -5.003 1.00 44.12 N ATOM 0 H ASN A 4 5.553 -7.415 -4.141 1.00 45.54 H new ATOM 0 HA ASN A 4 6.569 -9.867 -5.006 1.00 35.43 H new ATOM 0 HB2 ASN A 4 4.127 -10.580 -4.740 1.00 4.55 H new ATOM 0 HB3 ASN A 4 4.877 -9.852 -3.334 1.00 4.55 H new ATOM 0 HD21 ASN A 4 1.566 -8.201 -5.012 1.00 44.12 H new ATOM 0 HD22 ASN A 4 2.267 -9.738 -5.530 1.00 44.12 H new ATOM 65 N GLU A 5 6.266 -9.917 -7.464 1.00 51.22 N ATOM 66 CA GLU A 5 6.044 -10.089 -8.895 1.00 61.20 C ATOM 67 C GLU A 5 5.103 -11.260 -9.163 1.00 31.35 C ATOM 68 O GLU A 5 4.388 -11.279 -10.165 1.00 21.44 O ATOM 69 CB GLU A 5 7.375 -10.315 -9.616 1.00 55.14 C ATOM 70 CG GLU A 5 8.081 -11.596 -9.204 1.00 52.51 C ATOM 71 CD GLU A 5 9.583 -11.521 -9.397 1.00 60.43 C ATOM 72 OE1 GLU A 5 10.043 -11.687 -10.546 1.00 51.23 O ATOM 73 OE2 GLU A 5 10.299 -11.298 -8.398 1.00 54.44 O ATOM 0 H GLU A 5 7.157 -10.283 -7.128 1.00 51.22 H new ATOM 0 HA GLU A 5 5.581 -9.179 -9.277 1.00 61.20 H new ATOM 0 HB2 GLU A 5 7.197 -10.338 -10.691 1.00 55.14 H new ATOM 0 HB3 GLU A 5 8.033 -9.468 -9.420 1.00 55.14 H new ATOM 0 HG2 GLU A 5 7.863 -11.806 -8.157 1.00 52.51 H new ATOM 0 HG3 GLU A 5 7.685 -12.428 -9.786 1.00 52.51 H new ATOM 80 N ARG A 6 5.109 -12.235 -8.259 1.00 65.23 N ATOM 81 CA ARG A 6 4.258 -13.411 -8.398 1.00 4.31 C ATOM 82 C ARG A 6 4.285 -14.254 -7.126 1.00 53.14 C ATOM 83 O ARG A 6 5.349 -14.517 -6.566 1.00 71.11 O ATOM 84 CB ARG A 6 4.709 -14.255 -9.592 1.00 14.32 C ATOM 85 CG ARG A 6 6.003 -15.013 -9.348 1.00 42.10 C ATOM 86 CD ARG A 6 6.838 -15.112 -10.615 1.00 73.24 C ATOM 87 NE ARG A 6 8.139 -15.726 -10.367 1.00 5.21 N ATOM 88 CZ ARG A 6 9.131 -15.728 -11.250 1.00 64.34 C ATOM 89 NH1 ARG A 6 8.971 -15.152 -12.434 1.00 20.42 N ATOM 90 NH2 ARG A 6 10.287 -16.307 -10.951 1.00 21.44 N ATOM 0 H ARG A 6 5.693 -12.234 -7.423 1.00 65.23 H new ATOM 0 HA ARG A 6 3.236 -13.072 -8.567 1.00 4.31 H new ATOM 0 HB2 ARG A 6 3.922 -14.967 -9.841 1.00 14.32 H new ATOM 0 HB3 ARG A 6 4.836 -13.605 -10.458 1.00 14.32 H new ATOM 0 HG2 ARG A 6 6.579 -14.512 -8.570 1.00 42.10 H new ATOM 0 HG3 ARG A 6 5.776 -16.014 -8.981 1.00 42.10 H new ATOM 0 HD2 ARG A 6 6.298 -15.696 -11.360 1.00 73.24 H new ATOM 0 HD3 ARG A 6 6.981 -14.116 -11.033 1.00 73.24 H new ATOM 0 HE ARG A 6 8.295 -16.178 -9.466 1.00 5.21 H new ATOM 0 HH11 ARG A 6 8.084 -14.706 -12.668 1.00 20.42 H new ATOM 0 HH12 ARG A 6 9.735 -15.155 -13.110 1.00 20.42 H new ATOM 0 HH21 ARG A 6 10.415 -16.751 -10.042 1.00 21.44 H new ATOM 0 HH22 ARG A 6 11.048 -16.308 -11.630 1.00 21.44 H new ATOM 104 N ASP A 7 3.107 -14.674 -6.677 1.00 3.32 N ATOM 105 CA ASP A 7 2.995 -15.487 -5.472 1.00 31.41 C ATOM 106 C ASP A 7 1.838 -16.475 -5.589 1.00 14.52 C ATOM 107 O ASP A 7 1.146 -16.756 -4.610 1.00 33.42 O ATOM 108 CB ASP A 7 2.799 -14.596 -4.245 1.00 12.41 C ATOM 109 CG ASP A 7 2.953 -15.359 -2.944 1.00 3.40 C ATOM 110 OD1 ASP A 7 4.077 -15.821 -2.658 1.00 23.12 O ATOM 111 OD2 ASP A 7 1.950 -15.494 -2.212 1.00 60.14 O ATOM 0 H ASP A 7 2.217 -14.465 -7.129 1.00 3.32 H new ATOM 0 HA ASP A 7 3.921 -16.051 -5.357 1.00 31.41 H new ATOM 0 HB2 ASP A 7 3.522 -13.781 -4.272 1.00 12.41 H new ATOM 0 HB3 ASP A 7 1.808 -14.144 -4.283 1.00 12.41 H new ATOM 116 N THR A 8 1.631 -16.997 -6.794 1.00 4.02 N ATOM 117 CA THR A 8 0.557 -17.950 -7.040 1.00 30.52 C ATOM 118 C THR A 8 -0.770 -17.437 -6.492 1.00 23.30 C ATOM 119 O THR A 8 -1.531 -18.187 -5.881 1.00 13.44 O ATOM 120 CB THR A 8 0.866 -19.320 -6.406 1.00 75.23 C ATOM 121 OG1 THR A 8 0.664 -19.261 -4.990 1.00 24.32 O ATOM 122 CG2 THR A 8 2.296 -19.744 -6.703 1.00 41.13 C ATOM 0 H THR A 8 2.194 -16.775 -7.615 1.00 4.02 H new ATOM 0 HA THR A 8 0.479 -18.067 -8.121 1.00 30.52 H new ATOM 0 HB THR A 8 0.189 -20.057 -6.838 1.00 75.23 H new ATOM 0 HG1 THR A 8 0.673 -18.326 -4.697 1.00 24.32 H new ATOM 0 HG21 THR A 8 2.490 -20.714 -6.245 1.00 41.13 H new ATOM 0 HG22 THR A 8 2.437 -19.817 -7.781 1.00 41.13 H new ATOM 0 HG23 THR A 8 2.987 -19.006 -6.296 1.00 41.13 H new ATOM 130 N SER A 9 -1.041 -16.155 -6.716 1.00 21.44 N ATOM 131 CA SER A 9 -2.275 -15.541 -6.241 1.00 74.12 C ATOM 132 C SER A 9 -2.425 -14.126 -6.792 1.00 62.33 C ATOM 133 O SER A 9 -3.482 -13.755 -7.303 1.00 1.12 O ATOM 134 CB SER A 9 -2.300 -15.510 -4.712 1.00 25.12 C ATOM 135 OG SER A 9 -2.843 -16.708 -4.186 1.00 33.40 O ATOM 0 H SER A 9 -0.423 -15.522 -7.223 1.00 21.44 H new ATOM 0 HA SER A 9 -3.111 -16.142 -6.598 1.00 74.12 H new ATOM 0 HB2 SER A 9 -1.288 -15.368 -4.332 1.00 25.12 H new ATOM 0 HB3 SER A 9 -2.891 -14.659 -4.372 1.00 25.12 H new ATOM 0 HG SER A 9 -2.293 -17.468 -4.469 1.00 33.40 H new ATOM 141 N PHE A 10 -1.358 -13.341 -6.685 1.00 54.41 N ATOM 142 CA PHE A 10 -1.370 -11.966 -7.171 1.00 43.12 C ATOM 143 C PHE A 10 -0.186 -11.707 -8.099 1.00 21.23 C ATOM 144 O PHE A 10 0.970 -11.802 -7.688 1.00 71.54 O ATOM 145 CB PHE A 10 -1.335 -10.987 -5.996 1.00 42.40 C ATOM 146 CG PHE A 10 -2.278 -11.350 -4.885 1.00 1.11 C ATOM 147 CD1 PHE A 10 -3.579 -11.737 -5.162 1.00 13.43 C ATOM 148 CD2 PHE A 10 -1.863 -11.305 -3.564 1.00 21.12 C ATOM 149 CE1 PHE A 10 -4.449 -12.071 -4.141 1.00 53.51 C ATOM 150 CE2 PHE A 10 -2.728 -11.638 -2.539 1.00 34.42 C ATOM 151 CZ PHE A 10 -4.023 -12.023 -2.828 1.00 40.41 C ATOM 0 H PHE A 10 -0.475 -13.633 -6.266 1.00 54.41 H new ATOM 0 HA PHE A 10 -2.291 -11.814 -7.734 1.00 43.12 H new ATOM 0 HB2 PHE A 10 -0.320 -10.943 -5.601 1.00 42.40 H new ATOM 0 HB3 PHE A 10 -1.580 -9.988 -6.358 1.00 42.40 H new ATOM 0 HD1 PHE A 10 -3.917 -11.778 -6.187 1.00 13.43 H new ATOM 0 HD2 PHE A 10 -0.851 -11.006 -3.332 1.00 21.12 H new ATOM 0 HE1 PHE A 10 -5.461 -12.369 -4.370 1.00 53.51 H new ATOM 0 HE2 PHE A 10 -2.392 -11.597 -1.513 1.00 34.42 H new ATOM 0 HZ PHE A 10 -4.701 -12.286 -2.029 1.00 40.41 H new ATOM 161 N ASN A 11 -0.484 -11.380 -9.352 1.00 32.01 N ATOM 162 CA ASN A 11 0.555 -11.109 -10.339 1.00 13.42 C ATOM 163 C ASN A 11 0.683 -9.610 -10.595 1.00 61.24 C ATOM 164 O ASN A 11 0.187 -9.096 -11.598 1.00 14.42 O ATOM 165 CB ASN A 11 0.246 -11.837 -11.648 1.00 72.04 C ATOM 166 CG ASN A 11 1.042 -13.119 -11.799 1.00 3.22 C ATOM 167 OD1 ASN A 11 0.560 -14.204 -11.474 1.00 4.14 O ATOM 168 ND2 ASN A 11 2.269 -12.998 -12.294 1.00 33.44 N ATOM 0 H ASN A 11 -1.436 -11.296 -9.708 1.00 32.01 H new ATOM 0 HA ASN A 11 1.503 -11.475 -9.943 1.00 13.42 H new ATOM 0 HB2 ASN A 11 -0.819 -12.067 -11.690 1.00 72.04 H new ATOM 0 HB3 ASN A 11 0.463 -11.177 -12.488 1.00 72.04 H new ATOM 0 HD21 ASN A 11 2.853 -13.825 -12.418 1.00 33.44 H new ATOM 0 HD22 ASN A 11 2.627 -12.078 -12.550 1.00 33.44 H new ATOM 175 N LYS A 12 1.353 -8.915 -9.683 1.00 43.40 N ATOM 176 CA LYS A 12 1.550 -7.475 -9.810 1.00 32.43 C ATOM 177 C LYS A 12 2.407 -7.149 -11.028 1.00 43.51 C ATOM 178 O LYS A 12 2.214 -6.122 -11.678 1.00 15.25 O ATOM 179 CB LYS A 12 2.207 -6.916 -8.546 1.00 32.44 C ATOM 180 CG LYS A 12 2.317 -5.402 -8.536 1.00 54.52 C ATOM 181 CD LYS A 12 2.719 -4.880 -7.167 1.00 35.13 C ATOM 182 CE LYS A 12 2.492 -3.380 -7.053 1.00 21.31 C ATOM 183 NZ LYS A 12 1.686 -3.031 -5.851 1.00 14.22 N ATOM 0 H LYS A 12 1.769 -9.325 -8.847 1.00 43.40 H new ATOM 0 HA LYS A 12 0.573 -7.010 -9.940 1.00 32.43 H new ATOM 0 HB2 LYS A 12 1.633 -7.236 -7.676 1.00 32.44 H new ATOM 0 HB3 LYS A 12 3.204 -7.345 -8.445 1.00 32.44 H new ATOM 0 HG2 LYS A 12 3.051 -5.085 -9.277 1.00 54.52 H new ATOM 0 HG3 LYS A 12 1.362 -4.965 -8.827 1.00 54.52 H new ATOM 0 HD2 LYS A 12 2.145 -5.395 -6.397 1.00 35.13 H new ATOM 0 HD3 LYS A 12 3.770 -5.105 -6.985 1.00 35.13 H new ATOM 0 HE2 LYS A 12 3.454 -2.870 -7.006 1.00 21.31 H new ATOM 0 HE3 LYS A 12 1.984 -3.021 -7.948 1.00 21.31 H new ATOM 0 HZ1 LYS A 12 1.553 -2.000 -5.809 1.00 14.22 H new ATOM 0 HZ2 LYS A 12 0.758 -3.497 -5.908 1.00 14.22 H new ATOM 0 HZ3 LYS A 12 2.183 -3.351 -4.995 1.00 14.22 H new ATOM 197 N ASN A 13 3.355 -8.029 -11.333 1.00 33.51 N ATOM 198 CA ASN A 13 4.241 -7.834 -12.474 1.00 61.34 C ATOM 199 C ASN A 13 3.442 -7.690 -13.766 1.00 35.22 C ATOM 200 O ASN A 13 3.831 -6.953 -14.670 1.00 53.32 O ATOM 201 CB ASN A 13 5.218 -9.006 -12.594 1.00 51.13 C ATOM 202 CG ASN A 13 6.009 -8.969 -13.888 1.00 35.51 C ATOM 203 OD1 ASN A 13 6.163 -9.987 -14.563 1.00 75.31 O ATOM 204 ND2 ASN A 13 6.514 -7.793 -14.239 1.00 4.11 N ATOM 0 H ASN A 13 3.529 -8.884 -10.805 1.00 33.51 H new ATOM 0 HA ASN A 13 4.804 -6.915 -12.311 1.00 61.34 H new ATOM 0 HB2 ASN A 13 5.907 -8.989 -11.750 1.00 51.13 H new ATOM 0 HB3 ASN A 13 4.665 -9.944 -12.536 1.00 51.13 H new ATOM 0 HD21 ASN A 13 7.055 -7.707 -15.099 1.00 4.11 H new ATOM 0 HD22 ASN A 13 6.361 -6.976 -13.648 1.00 4.11 H new ATOM 211 N GLY A 14 2.320 -8.400 -13.844 1.00 21.44 N ATOM 212 CA GLY A 14 1.483 -8.337 -15.027 1.00 72.53 C ATOM 213 C GLY A 14 0.801 -6.993 -15.185 1.00 3.35 C ATOM 214 O GLY A 14 0.668 -6.483 -16.298 1.00 31.21 O ATOM 0 H GLY A 14 1.976 -9.018 -13.108 1.00 21.44 H new ATOM 0 HA2 GLY A 14 2.091 -8.538 -15.909 1.00 72.53 H new ATOM 0 HA3 GLY A 14 0.727 -9.121 -14.975 1.00 72.53 H new ATOM 218 N CYS A 15 0.368 -6.417 -14.069 1.00 35.23 N ATOM 219 CA CYS A 15 -0.307 -5.124 -14.088 1.00 2.14 C ATOM 220 C CYS A 15 0.670 -4.007 -14.441 1.00 54.15 C ATOM 221 O CYS A 15 0.359 -3.127 -15.246 1.00 34.32 O ATOM 222 CB CYS A 15 -0.953 -4.842 -12.730 1.00 63.23 C ATOM 223 SG CYS A 15 -1.860 -3.280 -12.655 1.00 34.33 S ATOM 0 H CYS A 15 0.472 -6.825 -13.140 1.00 35.23 H new ATOM 0 HA CYS A 15 -1.084 -5.158 -14.852 1.00 2.14 H new ATOM 0 HB2 CYS A 15 -1.634 -5.658 -12.487 1.00 63.23 H new ATOM 0 HB3 CYS A 15 -0.177 -4.836 -11.965 1.00 63.23 H new ATOM 0 HG CYS A 15 -2.371 -3.132 -11.469 1.00 34.33 H new ATOM 229 N LEU A 16 1.851 -4.047 -13.835 1.00 13.53 N ATOM 230 CA LEU A 16 2.873 -3.037 -14.084 1.00 43.51 C ATOM 231 C LEU A 16 3.362 -3.101 -15.528 1.00 14.13 C ATOM 232 O LEU A 16 3.488 -2.076 -16.198 1.00 12.01 O ATOM 233 CB LEU A 16 4.051 -3.227 -13.126 1.00 72.25 C ATOM 234 CG LEU A 16 5.257 -2.316 -13.356 1.00 63.44 C ATOM 235 CD1 LEU A 16 5.269 -1.181 -12.345 1.00 41.43 C ATOM 236 CD2 LEU A 16 6.551 -3.115 -13.280 1.00 15.24 C ATOM 0 H LEU A 16 2.125 -4.768 -13.168 1.00 13.53 H new ATOM 0 HA LEU A 16 2.428 -2.057 -13.913 1.00 43.51 H new ATOM 0 HB2 LEU A 16 3.694 -3.073 -12.108 1.00 72.25 H new ATOM 0 HB3 LEU A 16 4.385 -4.262 -13.194 1.00 72.25 H new ATOM 0 HG LEU A 16 5.178 -1.885 -14.354 1.00 63.44 H new ATOM 0 HD11 LEU A 16 6.134 -0.543 -12.524 1.00 41.43 H new ATOM 0 HD12 LEU A 16 4.357 -0.593 -12.448 1.00 41.43 H new ATOM 0 HD13 LEU A 16 5.324 -1.592 -11.337 1.00 41.43 H new ATOM 0 HD21 LEU A 16 7.399 -2.451 -13.446 1.00 15.24 H new ATOM 0 HD22 LEU A 16 6.637 -3.575 -12.295 1.00 15.24 H new ATOM 0 HD23 LEU A 16 6.544 -3.892 -14.044 1.00 15.24 H new ATOM 248 N VAL A 17 3.633 -4.313 -16.002 1.00 2.23 N ATOM 249 CA VAL A 17 4.104 -4.512 -17.367 1.00 43.21 C ATOM 250 C VAL A 17 3.015 -4.174 -18.379 1.00 2.00 C ATOM 251 O VAL A 17 3.297 -3.668 -19.465 1.00 64.35 O ATOM 252 CB VAL A 17 4.569 -5.963 -17.595 1.00 0.54 C ATOM 253 CG1 VAL A 17 3.378 -6.909 -17.611 1.00 1.43 C ATOM 254 CG2 VAL A 17 5.364 -6.070 -18.887 1.00 74.54 C ATOM 0 H VAL A 17 3.534 -5.172 -15.461 1.00 2.23 H new ATOM 0 HA VAL A 17 4.950 -3.840 -17.510 1.00 43.21 H new ATOM 0 HB VAL A 17 5.220 -6.252 -16.770 1.00 0.54 H new ATOM 0 HG11 VAL A 17 3.726 -7.929 -17.773 1.00 1.43 H new ATOM 0 HG12 VAL A 17 2.855 -6.851 -16.657 1.00 1.43 H new ATOM 0 HG13 VAL A 17 2.699 -6.625 -18.415 1.00 1.43 H new ATOM 0 HG21 VAL A 17 5.685 -7.102 -19.032 1.00 74.54 H new ATOM 0 HG22 VAL A 17 4.739 -5.763 -19.725 1.00 74.54 H new ATOM 0 HG23 VAL A 17 6.239 -5.423 -18.830 1.00 74.54 H new ATOM 264 N PHE A 18 1.769 -4.456 -18.015 1.00 33.32 N ATOM 265 CA PHE A 18 0.636 -4.183 -18.891 1.00 53.21 C ATOM 266 C PHE A 18 0.473 -2.683 -19.117 1.00 54.41 C ATOM 267 O PHE A 18 0.516 -2.206 -20.251 1.00 42.32 O ATOM 268 CB PHE A 18 -0.649 -4.763 -18.295 1.00 43.13 C ATOM 269 CG PHE A 18 -1.856 -4.565 -19.167 1.00 31.44 C ATOM 270 CD1 PHE A 18 -1.798 -4.833 -20.525 1.00 10.22 C ATOM 271 CD2 PHE A 18 -3.049 -4.112 -18.627 1.00 52.13 C ATOM 272 CE1 PHE A 18 -2.907 -4.653 -21.329 1.00 54.44 C ATOM 273 CE2 PHE A 18 -4.162 -3.930 -19.427 1.00 22.23 C ATOM 274 CZ PHE A 18 -4.091 -4.200 -20.780 1.00 4.44 C ATOM 0 H PHE A 18 1.518 -4.874 -17.119 1.00 33.32 H new ATOM 0 HA PHE A 18 0.829 -4.659 -19.852 1.00 53.21 H new ATOM 0 HB2 PHE A 18 -0.509 -5.829 -18.118 1.00 43.13 H new ATOM 0 HB3 PHE A 18 -0.831 -4.300 -17.325 1.00 43.13 H new ATOM 0 HD1 PHE A 18 -0.875 -5.187 -20.960 1.00 10.22 H new ATOM 0 HD2 PHE A 18 -3.110 -3.899 -17.570 1.00 52.13 H new ATOM 0 HE1 PHE A 18 -2.848 -4.866 -22.386 1.00 54.44 H new ATOM 0 HE2 PHE A 18 -5.086 -3.577 -18.994 1.00 22.23 H new ATOM 0 HZ PHE A 18 -4.959 -4.057 -21.407 1.00 4.44 H new ATOM 284 N VAL A 19 0.284 -1.943 -18.029 1.00 33.35 N ATOM 285 CA VAL A 19 0.114 -0.497 -18.106 1.00 63.34 C ATOM 286 C VAL A 19 1.338 0.167 -18.728 1.00 73.45 C ATOM 287 O VAL A 19 1.213 1.054 -19.572 1.00 43.13 O ATOM 288 CB VAL A 19 -0.136 0.114 -16.715 1.00 51.21 C ATOM 289 CG1 VAL A 19 0.990 -0.251 -15.760 1.00 61.43 C ATOM 290 CG2 VAL A 19 -0.291 1.624 -16.817 1.00 44.12 C ATOM 0 H VAL A 19 0.245 -2.322 -17.083 1.00 33.35 H new ATOM 0 HA VAL A 19 -0.756 -0.314 -18.736 1.00 63.34 H new ATOM 0 HB VAL A 19 -1.064 -0.298 -16.318 1.00 51.21 H new ATOM 0 HG11 VAL A 19 0.795 0.190 -14.782 1.00 61.43 H new ATOM 0 HG12 VAL A 19 1.049 -1.335 -15.664 1.00 61.43 H new ATOM 0 HG13 VAL A 19 1.934 0.130 -16.148 1.00 61.43 H new ATOM 0 HG21 VAL A 19 -0.467 2.040 -15.825 1.00 44.12 H new ATOM 0 HG22 VAL A 19 0.618 2.056 -17.235 1.00 44.12 H new ATOM 0 HG23 VAL A 19 -1.136 1.860 -17.464 1.00 44.12 H new ATOM 300 N SER A 20 2.520 -0.270 -18.306 1.00 50.03 N ATOM 301 CA SER A 20 3.767 0.284 -18.820 1.00 3.35 C ATOM 302 C SER A 20 3.860 0.104 -20.332 1.00 23.24 C ATOM 303 O SER A 20 4.166 1.046 -21.063 1.00 15.34 O ATOM 304 CB SER A 20 4.964 -0.384 -18.140 1.00 44.52 C ATOM 305 OG SER A 20 5.193 0.166 -16.854 1.00 72.21 O ATOM 0 H SER A 20 2.640 -1.006 -17.610 1.00 50.03 H new ATOM 0 HA SER A 20 3.781 1.351 -18.598 1.00 3.35 H new ATOM 0 HB2 SER A 20 4.786 -1.456 -18.054 1.00 44.52 H new ATOM 0 HB3 SER A 20 5.854 -0.257 -18.757 1.00 44.52 H new ATOM 0 HG SER A 20 4.732 -0.375 -16.180 1.00 72.21 H new ATOM 311 N ARG A 21 3.595 -1.114 -20.793 1.00 50.23 N ATOM 312 CA ARG A 21 3.650 -1.420 -22.218 1.00 13.52 C ATOM 313 C ARG A 21 2.545 -0.687 -22.974 1.00 32.42 C ATOM 314 O ARG A 21 2.745 -0.234 -24.101 1.00 52.43 O ATOM 315 CB ARG A 21 3.523 -2.927 -22.443 1.00 24.43 C ATOM 316 CG ARG A 21 4.749 -3.713 -22.006 1.00 31.21 C ATOM 317 CD ARG A 21 5.930 -3.462 -22.930 1.00 60.43 C ATOM 318 NE ARG A 21 7.110 -3.007 -22.200 1.00 12.21 N ATOM 319 CZ ARG A 21 8.306 -2.857 -22.757 1.00 3.42 C ATOM 320 NH1 ARG A 21 8.481 -3.124 -24.044 1.00 34.04 N ATOM 321 NH2 ARG A 21 9.332 -2.438 -22.026 1.00 54.51 N ATOM 0 H ARG A 21 3.340 -1.905 -20.201 1.00 50.23 H new ATOM 0 HA ARG A 21 4.614 -1.083 -22.600 1.00 13.52 H new ATOM 0 HB2 ARG A 21 2.653 -3.295 -21.899 1.00 24.43 H new ATOM 0 HB3 ARG A 21 3.340 -3.114 -23.501 1.00 24.43 H new ATOM 0 HG2 ARG A 21 5.017 -3.434 -20.987 1.00 31.21 H new ATOM 0 HG3 ARG A 21 4.515 -4.777 -21.994 1.00 31.21 H new ATOM 0 HD2 ARG A 21 6.169 -4.378 -23.470 1.00 60.43 H new ATOM 0 HD3 ARG A 21 5.655 -2.716 -23.675 1.00 60.43 H new ATOM 0 HE ARG A 21 7.010 -2.793 -21.208 1.00 12.21 H new ATOM 0 HH11 ARG A 21 7.695 -3.446 -24.610 1.00 34.04 H new ATOM 0 HH12 ARG A 21 9.401 -3.008 -24.468 1.00 34.04 H new ATOM 0 HH21 ARG A 21 9.202 -2.231 -21.036 1.00 54.51 H new ATOM 0 HH22 ARG A 21 10.250 -2.323 -22.455 1.00 54.51 H new ATOM 335 N LEU A 22 1.379 -0.576 -22.346 1.00 63.32 N ATOM 336 CA LEU A 22 0.242 0.100 -22.959 1.00 54.44 C ATOM 337 C LEU A 22 0.583 1.550 -23.289 1.00 22.00 C ATOM 338 O LEU A 22 0.304 2.029 -24.388 1.00 12.21 O ATOM 339 CB LEU A 22 -0.970 0.049 -22.027 1.00 52.34 C ATOM 340 CG LEU A 22 -1.716 -1.284 -21.968 1.00 63.52 C ATOM 341 CD1 LEU A 22 -2.530 -1.385 -20.688 1.00 1.54 C ATOM 342 CD2 LEU A 22 -2.612 -1.449 -23.187 1.00 13.13 C ATOM 0 H LEU A 22 1.197 -0.946 -21.413 1.00 63.32 H new ATOM 0 HA LEU A 22 0.001 -0.418 -23.888 1.00 54.44 H new ATOM 0 HB2 LEU A 22 -0.639 0.302 -21.020 1.00 52.34 H new ATOM 0 HB3 LEU A 22 -1.673 0.823 -22.336 1.00 52.34 H new ATOM 0 HG LEU A 22 -0.981 -2.089 -21.971 1.00 63.52 H new ATOM 0 HD11 LEU A 22 -3.054 -2.341 -20.664 1.00 1.54 H new ATOM 0 HD12 LEU A 22 -1.865 -1.314 -19.827 1.00 1.54 H new ATOM 0 HD13 LEU A 22 -3.256 -0.573 -20.653 1.00 1.54 H new ATOM 0 HD21 LEU A 22 -3.135 -2.404 -23.128 1.00 13.13 H new ATOM 0 HD22 LEU A 22 -3.340 -0.638 -23.216 1.00 13.13 H new ATOM 0 HD23 LEU A 22 -2.004 -1.424 -24.091 1.00 13.13 H new ATOM 354 N TRP A 23 1.190 2.241 -22.331 1.00 44.34 N ATOM 355 CA TRP A 23 1.572 3.636 -22.521 1.00 45.21 C ATOM 356 C TRP A 23 2.464 3.794 -23.748 1.00 3.45 C ATOM 357 O TRP A 23 2.303 4.734 -24.527 1.00 21.04 O ATOM 358 CB TRP A 23 2.294 4.162 -21.279 1.00 40.12 C ATOM 359 CG TRP A 23 1.361 4.637 -20.206 1.00 61.45 C ATOM 360 CD1 TRP A 23 0.075 4.227 -19.999 1.00 53.31 C ATOM 361 CD2 TRP A 23 1.642 5.611 -19.196 1.00 51.52 C ATOM 362 NE1 TRP A 23 -0.461 4.889 -18.921 1.00 11.23 N ATOM 363 CE2 TRP A 23 0.480 5.743 -18.410 1.00 44.11 C ATOM 364 CE3 TRP A 23 2.762 6.384 -18.878 1.00 13.32 C ATOM 365 CZ2 TRP A 23 0.409 6.617 -17.328 1.00 61.15 C ATOM 366 CZ3 TRP A 23 2.689 7.251 -17.804 1.00 42.32 C ATOM 367 CH2 TRP A 23 1.520 7.361 -17.039 1.00 43.54 C ATOM 0 H TRP A 23 1.428 1.859 -21.416 1.00 44.34 H new ATOM 0 HA TRP A 23 0.664 4.218 -22.678 1.00 45.21 H new ATOM 0 HB2 TRP A 23 2.929 3.373 -20.875 1.00 40.12 H new ATOM 0 HB3 TRP A 23 2.950 4.982 -21.569 1.00 40.12 H new ATOM 0 HD1 TRP A 23 -0.444 3.491 -20.595 1.00 53.31 H new ATOM 0 HE1 TRP A 23 -1.407 4.765 -18.560 1.00 11.23 H new ATOM 0 HE3 TRP A 23 3.668 6.305 -19.461 1.00 13.32 H new ATOM 0 HZ2 TRP A 23 -0.491 6.704 -16.738 1.00 61.15 H new ATOM 0 HZ3 TRP A 23 3.548 7.854 -17.550 1.00 42.32 H new ATOM 0 HH2 TRP A 23 1.496 8.047 -16.205 1.00 43.54 H new ATOM 378 N ASP A 24 3.404 2.870 -23.913 1.00 43.42 N ATOM 379 CA ASP A 24 4.321 2.907 -25.047 1.00 2.23 C ATOM 380 C ASP A 24 3.578 2.660 -26.355 1.00 75.44 C ATOM 381 O ASP A 24 3.731 3.409 -27.321 1.00 2.34 O ATOM 382 CB ASP A 24 5.427 1.866 -24.869 1.00 62.22 C ATOM 383 CG ASP A 24 6.719 2.474 -24.359 1.00 52.33 C ATOM 384 OD1 ASP A 24 6.839 2.669 -23.131 1.00 42.04 O ATOM 385 OD2 ASP A 24 7.610 2.755 -25.188 1.00 74.20 O ATOM 0 H ASP A 24 3.551 2.087 -23.277 1.00 43.42 H new ATOM 0 HA ASP A 24 4.770 3.899 -25.088 1.00 2.23 H new ATOM 0 HB2 ASP A 24 5.090 1.098 -24.172 1.00 62.22 H new ATOM 0 HB3 ASP A 24 5.613 1.372 -25.822 1.00 62.22 H new ATOM 390 N LEU A 25 2.772 1.603 -26.382 1.00 4.34 N ATOM 391 CA LEU A 25 2.005 1.256 -27.573 1.00 20.44 C ATOM 392 C LEU A 25 1.090 2.404 -27.985 1.00 74.20 C ATOM 393 O LEU A 25 0.763 2.559 -29.162 1.00 65.20 O ATOM 394 CB LEU A 25 1.178 -0.006 -27.320 1.00 14.12 C ATOM 395 CG LEU A 25 -0.033 -0.208 -28.232 1.00 20.52 C ATOM 396 CD1 LEU A 25 0.412 -0.417 -29.671 1.00 52.31 C ATOM 397 CD2 LEU A 25 -0.869 -1.387 -27.754 1.00 51.13 C ATOM 0 H LEU A 25 2.633 0.972 -25.593 1.00 4.34 H new ATOM 0 HA LEU A 25 2.707 1.067 -28.385 1.00 20.44 H new ATOM 0 HB2 LEU A 25 1.833 -0.872 -27.421 1.00 14.12 H new ATOM 0 HB3 LEU A 25 0.831 0.012 -26.287 1.00 14.12 H new ATOM 0 HG LEU A 25 -0.649 0.690 -28.191 1.00 20.52 H new ATOM 0 HD11 LEU A 25 -0.463 -0.559 -30.305 1.00 52.31 H new ATOM 0 HD12 LEU A 25 0.968 0.457 -30.010 1.00 52.31 H new ATOM 0 HD13 LEU A 25 1.050 -1.299 -29.730 1.00 52.31 H new ATOM 0 HD21 LEU A 25 -1.727 -1.516 -28.414 1.00 51.13 H new ATOM 0 HD22 LEU A 25 -0.262 -2.292 -27.766 1.00 51.13 H new ATOM 0 HD23 LEU A 25 -1.218 -1.198 -26.739 1.00 51.13 H new ATOM 409 N ASP A 26 0.680 3.207 -27.009 1.00 63.22 N ATOM 410 CA ASP A 26 -0.195 4.344 -27.271 1.00 20.41 C ATOM 411 C ASP A 26 0.565 5.464 -27.974 1.00 71.11 C ATOM 412 O ASP A 26 1.111 6.359 -27.329 1.00 30.03 O ATOM 413 CB ASP A 26 -0.798 4.862 -25.964 1.00 71.53 C ATOM 414 CG ASP A 26 -1.386 6.252 -26.109 1.00 24.42 C ATOM 415 OD1 ASP A 26 -2.097 6.494 -27.106 1.00 20.21 O ATOM 416 OD2 ASP A 26 -1.133 7.098 -25.225 1.00 72.42 O ATOM 0 H ASP A 26 0.940 3.092 -26.029 1.00 63.22 H new ATOM 0 HA ASP A 26 -0.999 4.009 -27.926 1.00 20.41 H new ATOM 0 HB2 ASP A 26 -1.575 4.175 -25.628 1.00 71.53 H new ATOM 0 HB3 ASP A 26 -0.029 4.875 -25.192 1.00 71.53 H new ATOM 421 N LYS A 27 0.597 5.408 -29.301 1.00 60.33 N ATOM 422 CA LYS A 27 1.289 6.417 -30.094 1.00 25.12 C ATOM 423 C LYS A 27 0.355 7.571 -30.442 1.00 11.14 C ATOM 424 O LYS A 27 0.793 8.711 -30.602 1.00 52.23 O ATOM 425 CB LYS A 27 1.847 5.794 -31.376 1.00 1.14 C ATOM 426 CG LYS A 27 3.075 4.930 -31.148 1.00 3.13 C ATOM 427 CD LYS A 27 4.332 5.773 -31.006 1.00 35.03 C ATOM 428 CE LYS A 27 4.875 5.728 -29.586 1.00 23.11 C ATOM 429 NZ LYS A 27 6.246 6.305 -29.498 1.00 75.43 N ATOM 0 H LYS A 27 0.151 4.673 -29.851 1.00 60.33 H new ATOM 0 HA LYS A 27 2.114 6.808 -29.498 1.00 25.12 H new ATOM 0 HB2 LYS A 27 1.070 5.190 -31.844 1.00 1.14 H new ATOM 0 HB3 LYS A 27 2.098 6.590 -32.077 1.00 1.14 H new ATOM 0 HG2 LYS A 27 2.936 4.328 -30.250 1.00 3.13 H new ATOM 0 HG3 LYS A 27 3.193 4.237 -31.981 1.00 3.13 H new ATOM 0 HD2 LYS A 27 5.093 5.414 -31.699 1.00 35.03 H new ATOM 0 HD3 LYS A 27 4.112 6.805 -31.280 1.00 35.03 H new ATOM 0 HE2 LYS A 27 4.206 6.278 -28.924 1.00 23.11 H new ATOM 0 HE3 LYS A 27 4.892 4.696 -29.236 1.00 23.11 H new ATOM 0 HZ1 LYS A 27 6.581 6.256 -28.515 1.00 75.43 H new ATOM 0 HZ2 LYS A 27 6.890 5.765 -30.110 1.00 75.43 H new ATOM 0 HZ3 LYS A 27 6.225 7.298 -29.808 1.00 75.43 H new ATOM 443 N LEU A 28 -0.934 7.269 -30.555 1.00 43.12 N ATOM 444 CA LEU A 28 -1.931 8.282 -30.882 1.00 50.34 C ATOM 445 C LEU A 28 -1.919 9.410 -29.855 1.00 74.40 C ATOM 446 O LEU A 28 -2.272 10.547 -30.163 1.00 1.43 O ATOM 447 CB LEU A 28 -3.323 7.653 -30.950 1.00 34.42 C ATOM 448 CG LEU A 28 -4.090 7.576 -29.629 1.00 11.20 C ATOM 449 CD1 LEU A 28 -4.949 8.817 -29.438 1.00 23.34 C ATOM 450 CD2 LEU A 28 -4.947 6.320 -29.582 1.00 32.42 C ATOM 0 H LEU A 28 -1.313 6.331 -30.425 1.00 43.12 H new ATOM 0 HA LEU A 28 -1.681 8.701 -31.857 1.00 50.34 H new ATOM 0 HB2 LEU A 28 -3.922 8.221 -31.662 1.00 34.42 H new ATOM 0 HB3 LEU A 28 -3.225 6.644 -31.349 1.00 34.42 H new ATOM 0 HG LEU A 28 -3.368 7.529 -28.814 1.00 11.20 H new ATOM 0 HD11 LEU A 28 -5.487 8.745 -28.493 1.00 23.34 H new ATOM 0 HD12 LEU A 28 -4.313 9.702 -29.426 1.00 23.34 H new ATOM 0 HD13 LEU A 28 -5.663 8.895 -30.258 1.00 23.34 H new ATOM 0 HD21 LEU A 28 -5.485 6.282 -28.635 1.00 32.42 H new ATOM 0 HD22 LEU A 28 -5.661 6.336 -30.405 1.00 32.42 H new ATOM 0 HD23 LEU A 28 -4.309 5.441 -29.672 1.00 32.42 H new ATOM 462 N GLY A 29 -1.509 9.085 -28.632 1.00 54.24 N ATOM 463 CA GLY A 29 -1.457 10.082 -27.579 1.00 33.33 C ATOM 464 C GLY A 29 -2.084 9.594 -26.288 1.00 23.44 C ATOM 465 O GLY A 29 -1.556 9.838 -25.203 1.00 14.41 O ATOM 0 H GLY A 29 -1.212 8.150 -28.352 1.00 54.24 H new ATOM 0 HA2 GLY A 29 -0.419 10.357 -27.394 1.00 33.33 H new ATOM 0 HA3 GLY A 29 -1.971 10.984 -27.911 1.00 33.33 H new ATOM 469 N MET A 30 -3.213 8.902 -26.404 1.00 1.41 N ATOM 470 CA MET A 30 -3.912 8.379 -25.236 1.00 1.42 C ATOM 471 C MET A 30 -4.927 7.316 -25.641 1.00 73.41 C ATOM 472 O MET A 30 -6.050 7.633 -26.034 1.00 33.23 O ATOM 473 CB MET A 30 -4.615 9.512 -24.486 1.00 2.43 C ATOM 474 CG MET A 30 -4.013 9.803 -23.121 1.00 24.14 C ATOM 475 SD MET A 30 -5.033 10.915 -22.134 1.00 23.13 S ATOM 476 CE MET A 30 -3.826 12.150 -21.660 1.00 3.53 C ATOM 0 H MET A 30 -3.663 8.691 -27.295 1.00 1.41 H new ATOM 0 HA MET A 30 -3.174 7.920 -24.578 1.00 1.42 H new ATOM 0 HB2 MET A 30 -4.575 10.417 -25.092 1.00 2.43 H new ATOM 0 HB3 MET A 30 -5.668 9.257 -24.363 1.00 2.43 H new ATOM 0 HG2 MET A 30 -3.877 8.866 -22.581 1.00 24.14 H new ATOM 0 HG3 MET A 30 -3.024 10.243 -23.251 1.00 24.14 H new ATOM 0 HE1 MET A 30 -4.306 12.910 -21.043 1.00 3.53 H new ATOM 0 HE2 MET A 30 -3.024 11.676 -21.094 1.00 3.53 H new ATOM 0 HE3 MET A 30 -3.412 12.616 -22.554 1.00 3.53 H new ATOM 486 N PHE A 31 -4.525 6.053 -25.544 1.00 33.32 N ATOM 487 CA PHE A 31 -5.400 4.942 -25.902 1.00 10.23 C ATOM 488 C PHE A 31 -5.698 4.071 -24.685 1.00 71.31 C ATOM 489 O PHE A 31 -4.792 3.493 -24.084 1.00 3.10 O ATOM 490 CB PHE A 31 -4.760 4.096 -27.005 1.00 14.33 C ATOM 491 CG PHE A 31 -5.758 3.342 -27.837 1.00 10.43 C ATOM 492 CD1 PHE A 31 -6.828 3.999 -28.423 1.00 43.25 C ATOM 493 CD2 PHE A 31 -5.626 1.977 -28.032 1.00 40.24 C ATOM 494 CE1 PHE A 31 -7.748 3.308 -29.189 1.00 25.42 C ATOM 495 CE2 PHE A 31 -6.543 1.280 -28.797 1.00 45.32 C ATOM 496 CZ PHE A 31 -7.604 1.947 -29.377 1.00 31.20 C ATOM 0 H PHE A 31 -3.599 5.773 -25.221 1.00 33.32 H new ATOM 0 HA PHE A 31 -6.339 5.355 -26.270 1.00 10.23 H new ATOM 0 HB2 PHE A 31 -4.173 4.745 -27.655 1.00 14.33 H new ATOM 0 HB3 PHE A 31 -4.067 3.387 -26.552 1.00 14.33 H new ATOM 0 HD1 PHE A 31 -6.944 5.063 -28.280 1.00 43.25 H new ATOM 0 HD2 PHE A 31 -4.797 1.451 -27.581 1.00 40.24 H new ATOM 0 HE1 PHE A 31 -8.578 3.831 -29.640 1.00 25.42 H new ATOM 0 HE2 PHE A 31 -6.430 0.216 -28.941 1.00 45.32 H new ATOM 0 HZ PHE A 31 -8.320 1.405 -29.977 1.00 31.20 H new ATOM 506 N HIS A 32 -6.975 3.981 -24.327 1.00 52.24 N ATOM 507 CA HIS A 32 -7.394 3.180 -23.182 1.00 51.45 C ATOM 508 C HIS A 32 -8.905 3.264 -22.984 1.00 44.15 C ATOM 509 O HIS A 32 -9.382 3.581 -21.894 1.00 65.22 O ATOM 510 CB HIS A 32 -6.675 3.647 -21.916 1.00 54.44 C ATOM 511 CG HIS A 32 -6.603 5.138 -21.784 1.00 34.54 C ATOM 512 ND1 HIS A 32 -7.659 5.972 -22.085 1.00 71.20 N ATOM 513 CD2 HIS A 32 -5.594 5.942 -21.377 1.00 41.41 C ATOM 514 CE1 HIS A 32 -7.302 7.225 -21.871 1.00 45.55 C ATOM 515 NE2 HIS A 32 -6.053 7.235 -21.441 1.00 1.01 N ATOM 0 H HIS A 32 -7.738 4.453 -24.813 1.00 52.24 H new ATOM 0 HA HIS A 32 -7.128 2.141 -23.379 1.00 51.45 H new ATOM 0 HB2 HIS A 32 -7.187 3.238 -21.045 1.00 54.44 H new ATOM 0 HB3 HIS A 32 -5.664 3.241 -21.911 1.00 54.44 H new ATOM 0 HD2 HIS A 32 -4.611 5.626 -21.061 1.00 41.41 H new ATOM 0 HE1 HIS A 32 -7.925 8.094 -22.022 1.00 45.55 H new ATOM 0 HE2 HIS A 32 -5.517 8.067 -21.196 1.00 1.01 H new ATOM 523 N HIS A 33 -9.653 2.979 -24.046 1.00 25.22 N ATOM 524 CA HIS A 33 -11.109 3.022 -23.988 1.00 53.13 C ATOM 525 C HIS A 33 -11.722 2.081 -25.021 1.00 40.23 C ATOM 526 O HIS A 33 -11.104 1.740 -26.030 1.00 3.20 O ATOM 527 CB HIS A 33 -11.608 4.449 -24.222 1.00 22.44 C ATOM 528 CG HIS A 33 -10.944 5.134 -25.376 1.00 25.02 C ATOM 529 ND1 HIS A 33 -11.481 5.162 -26.645 1.00 70.43 N ATOM 530 CD2 HIS A 33 -9.780 5.821 -25.447 1.00 3.45 C ATOM 531 CE1 HIS A 33 -10.676 5.835 -27.447 1.00 64.34 C ATOM 532 NE2 HIS A 33 -9.636 6.246 -26.744 1.00 41.34 N ATOM 0 H HIS A 33 -9.274 2.716 -24.956 1.00 25.22 H new ATOM 0 HA HIS A 33 -11.418 2.695 -22.995 1.00 53.13 H new ATOM 0 HB2 HIS A 33 -12.684 4.425 -24.395 1.00 22.44 H new ATOM 0 HB3 HIS A 33 -11.443 5.036 -23.318 1.00 22.44 H new ATOM 0 HD2 HIS A 33 -9.092 6.001 -24.634 1.00 3.45 H new ATOM 0 HE1 HIS A 33 -10.840 6.018 -28.499 1.00 64.34 H new ATOM 0 HE2 HIS A 33 -8.853 6.791 -27.106 1.00 41.34 H new ATOM 540 N PRO A 34 -12.966 1.650 -24.766 1.00 11.13 N ATOM 541 CA PRO A 34 -13.689 0.743 -25.662 1.00 32.45 C ATOM 542 C PRO A 34 -14.086 1.415 -26.971 1.00 51.32 C ATOM 543 O PRO A 34 -14.353 2.616 -27.008 1.00 11.52 O ATOM 544 CB PRO A 34 -14.934 0.366 -24.855 1.00 74.31 C ATOM 545 CG PRO A 34 -15.137 1.505 -23.917 1.00 32.12 C ATOM 546 CD PRO A 34 -13.763 2.016 -23.583 1.00 30.13 C ATOM 0 HA PRO A 34 -13.079 -0.111 -25.956 1.00 32.45 H new ATOM 0 HB2 PRO A 34 -15.799 0.228 -25.503 1.00 74.31 H new ATOM 0 HB3 PRO A 34 -14.788 -0.570 -24.316 1.00 74.31 H new ATOM 0 HG2 PRO A 34 -15.743 2.286 -24.377 1.00 32.12 H new ATOM 0 HG3 PRO A 34 -15.662 1.182 -23.018 1.00 32.12 H new ATOM 0 HD2 PRO A 34 -13.764 3.093 -23.417 1.00 30.13 H new ATOM 0 HD3 PRO A 34 -13.372 1.554 -22.676 1.00 30.13 H new ATOM 554 N VAL A 35 -14.124 0.633 -28.045 1.00 45.13 N ATOM 555 CA VAL A 35 -14.490 1.153 -29.357 1.00 43.13 C ATOM 556 C VAL A 35 -16.000 1.324 -29.479 1.00 62.40 C ATOM 557 O VAL A 35 -16.770 0.529 -28.941 1.00 20.54 O ATOM 558 CB VAL A 35 -13.996 0.228 -30.486 1.00 1.15 C ATOM 559 CG1 VAL A 35 -14.412 0.773 -31.843 1.00 61.24 C ATOM 560 CG2 VAL A 35 -12.486 0.056 -30.411 1.00 13.14 C ATOM 0 H VAL A 35 -13.906 -0.363 -28.032 1.00 45.13 H new ATOM 0 HA VAL A 35 -14.008 2.125 -29.457 1.00 43.13 H new ATOM 0 HB VAL A 35 -14.457 -0.751 -30.358 1.00 1.15 H new ATOM 0 HG11 VAL A 35 -14.054 0.107 -32.628 1.00 61.24 H new ATOM 0 HG12 VAL A 35 -15.499 0.839 -31.891 1.00 61.24 H new ATOM 0 HG13 VAL A 35 -13.981 1.764 -31.985 1.00 61.24 H new ATOM 0 HG21 VAL A 35 -12.154 -0.600 -31.216 1.00 13.14 H new ATOM 0 HG22 VAL A 35 -12.004 1.028 -30.513 1.00 13.14 H new ATOM 0 HG23 VAL A 35 -12.217 -0.383 -29.450 1.00 13.14 H new ATOM 570 N SER A 36 -16.417 2.366 -30.191 1.00 23.22 N ATOM 571 CA SER A 36 -17.836 2.643 -30.381 1.00 44.21 C ATOM 572 C SER A 36 -18.426 1.740 -31.460 1.00 21.24 C ATOM 573 O SER A 36 -17.824 1.539 -32.514 1.00 72.10 O ATOM 574 CB SER A 36 -18.044 4.111 -30.759 1.00 63.01 C ATOM 575 OG SER A 36 -18.561 4.851 -29.667 1.00 32.53 O ATOM 0 H SER A 36 -15.793 3.032 -30.646 1.00 23.22 H new ATOM 0 HA SER A 36 -18.350 2.440 -29.441 1.00 44.21 H new ATOM 0 HB2 SER A 36 -17.097 4.545 -31.080 1.00 63.01 H new ATOM 0 HB3 SER A 36 -18.729 4.178 -31.605 1.00 63.01 H new ATOM 0 HG SER A 36 -18.683 5.786 -29.934 1.00 32.53 H new ATOM 581 N ALA A 37 -19.608 1.198 -31.186 1.00 71.35 N ATOM 582 CA ALA A 37 -20.282 0.317 -32.133 1.00 2.31 C ATOM 583 C ALA A 37 -20.676 1.071 -33.399 1.00 33.05 C ATOM 584 O ALA A 37 -20.657 0.513 -34.495 1.00 44.00 O ATOM 585 CB ALA A 37 -21.507 -0.312 -31.488 1.00 33.54 C ATOM 0 H ALA A 37 -20.119 1.353 -30.317 1.00 71.35 H new ATOM 0 HA ALA A 37 -19.587 -0.474 -32.414 1.00 2.31 H new ATOM 0 HB1 ALA A 37 -22.000 -0.967 -32.206 1.00 33.54 H new ATOM 0 HB2 ALA A 37 -21.202 -0.892 -30.617 1.00 33.54 H new ATOM 0 HB3 ALA A 37 -22.198 0.472 -31.178 1.00 33.54 H new ATOM 591 N GLU A 38 -21.035 2.341 -33.238 1.00 42.01 N ATOM 592 CA GLU A 38 -21.435 3.170 -34.369 1.00 75.30 C ATOM 593 C GLU A 38 -20.393 3.113 -35.482 1.00 23.23 C ATOM 594 O GLU A 38 -20.733 3.069 -36.663 1.00 53.12 O ATOM 595 CB GLU A 38 -21.641 4.618 -33.921 1.00 42.31 C ATOM 596 CG GLU A 38 -22.514 4.755 -32.685 1.00 4.21 C ATOM 597 CD GLU A 38 -23.101 6.145 -32.537 1.00 11.24 C ATOM 598 OE1 GLU A 38 -23.957 6.518 -33.366 1.00 41.53 O ATOM 599 OE2 GLU A 38 -22.706 6.860 -31.592 1.00 65.40 O ATOM 0 H GLU A 38 -21.057 2.818 -32.336 1.00 42.01 H new ATOM 0 HA GLU A 38 -22.376 2.780 -34.757 1.00 75.30 H new ATOM 0 HB2 GLU A 38 -20.669 5.069 -33.721 1.00 42.31 H new ATOM 0 HB3 GLU A 38 -22.092 5.181 -34.738 1.00 42.31 H new ATOM 0 HG2 GLU A 38 -23.323 4.026 -32.734 1.00 4.21 H new ATOM 0 HG3 GLU A 38 -21.924 4.518 -31.800 1.00 4.21 H new ATOM 606 N GLU A 39 -19.121 3.114 -35.094 1.00 12.33 N ATOM 607 CA GLU A 39 -18.029 3.064 -36.058 1.00 42.44 C ATOM 608 C GLU A 39 -17.606 1.623 -36.327 1.00 42.02 C ATOM 609 O GLU A 39 -17.156 1.290 -37.425 1.00 14.23 O ATOM 610 CB GLU A 39 -16.833 3.872 -35.550 1.00 42.12 C ATOM 611 CG GLU A 39 -15.872 4.294 -36.649 1.00 61.42 C ATOM 612 CD GLU A 39 -14.573 4.856 -36.105 1.00 14.44 C ATOM 613 OE1 GLU A 39 -14.630 5.815 -35.307 1.00 10.13 O ATOM 614 OE2 GLU A 39 -13.500 4.337 -36.477 1.00 12.13 O ATOM 0 H GLU A 39 -18.822 3.149 -34.119 1.00 12.33 H new ATOM 0 HA GLU A 39 -18.383 3.501 -36.992 1.00 42.44 H new ATOM 0 HB2 GLU A 39 -17.198 4.762 -35.037 1.00 42.12 H new ATOM 0 HB3 GLU A 39 -16.291 3.279 -34.813 1.00 42.12 H new ATOM 0 HG2 GLU A 39 -15.654 3.436 -37.285 1.00 61.42 H new ATOM 0 HG3 GLU A 39 -16.352 5.043 -37.278 1.00 61.42 H new ATOM 621 N LEU A 40 -17.752 0.772 -35.318 1.00 31.12 N ATOM 622 CA LEU A 40 -17.385 -0.634 -35.443 1.00 71.45 C ATOM 623 C LEU A 40 -18.596 -1.535 -35.223 1.00 33.01 C ATOM 624 O LEU A 40 -18.773 -2.130 -34.160 1.00 22.13 O ATOM 625 CB LEU A 40 -16.284 -0.986 -34.441 1.00 74.21 C ATOM 626 CG LEU A 40 -14.859 -0.616 -34.852 1.00 40.41 C ATOM 627 CD1 LEU A 40 -14.469 -1.335 -36.134 1.00 51.11 C ATOM 628 CD2 LEU A 40 -14.728 0.891 -35.022 1.00 64.24 C ATOM 0 H LEU A 40 -18.122 1.031 -34.404 1.00 31.12 H new ATOM 0 HA LEU A 40 -17.013 -0.798 -36.454 1.00 71.45 H new ATOM 0 HB2 LEU A 40 -16.508 -0.491 -33.496 1.00 74.21 H new ATOM 0 HB3 LEU A 40 -16.320 -2.059 -34.255 1.00 74.21 H new ATOM 0 HG LEU A 40 -14.179 -0.933 -34.061 1.00 40.41 H new ATOM 0 HD11 LEU A 40 -13.451 -1.059 -36.411 1.00 51.11 H new ATOM 0 HD12 LEU A 40 -14.523 -2.412 -35.978 1.00 51.11 H new ATOM 0 HD13 LEU A 40 -15.153 -1.050 -36.934 1.00 51.11 H new ATOM 0 HD21 LEU A 40 -13.707 1.137 -35.315 1.00 64.24 H new ATOM 0 HD22 LEU A 40 -15.419 1.232 -35.793 1.00 64.24 H new ATOM 0 HD23 LEU A 40 -14.964 1.385 -34.080 1.00 64.24 H new ATOM 640 N PRO A 41 -19.451 -1.641 -36.252 1.00 4.45 N ATOM 641 CA PRO A 41 -20.659 -2.469 -36.195 1.00 64.24 C ATOM 642 C PRO A 41 -20.339 -3.960 -36.181 1.00 22.02 C ATOM 643 O PRO A 41 -21.190 -4.784 -35.847 1.00 14.03 O ATOM 644 CB PRO A 41 -21.405 -2.095 -37.478 1.00 53.02 C ATOM 645 CG PRO A 41 -20.344 -1.620 -38.410 1.00 20.25 C ATOM 646 CD PRO A 41 -19.303 -0.960 -37.549 1.00 1.42 C ATOM 0 HA PRO A 41 -21.232 -2.292 -35.285 1.00 64.24 H new ATOM 0 HB2 PRO A 41 -21.938 -2.952 -37.890 1.00 53.02 H new ATOM 0 HB3 PRO A 41 -22.146 -1.317 -37.293 1.00 53.02 H new ATOM 0 HG2 PRO A 41 -19.917 -2.451 -38.971 1.00 20.25 H new ATOM 0 HG3 PRO A 41 -20.750 -0.918 -39.139 1.00 20.25 H new ATOM 0 HD2 PRO A 41 -18.301 -1.090 -37.959 1.00 1.42 H new ATOM 0 HD3 PRO A 41 -19.475 0.113 -37.462 1.00 1.42 H new ATOM 654 N ASP A 42 -19.107 -4.300 -36.544 1.00 51.44 N ATOM 655 CA ASP A 42 -18.674 -5.692 -36.572 1.00 14.04 C ATOM 656 C ASP A 42 -17.649 -5.964 -35.475 1.00 14.11 C ATOM 657 O ASP A 42 -16.895 -6.935 -35.543 1.00 14.12 O ATOM 658 CB ASP A 42 -18.081 -6.037 -37.938 1.00 71.43 C ATOM 659 CG ASP A 42 -16.626 -5.628 -38.058 1.00 73.21 C ATOM 660 OD1 ASP A 42 -16.316 -4.452 -37.775 1.00 22.54 O ATOM 661 OD2 ASP A 42 -15.798 -6.483 -38.436 1.00 72.42 O ATOM 0 H ASP A 42 -18.390 -3.630 -36.823 1.00 51.44 H new ATOM 0 HA ASP A 42 -19.546 -6.322 -36.394 1.00 14.04 H new ATOM 0 HB2 ASP A 42 -18.169 -7.110 -38.108 1.00 71.43 H new ATOM 0 HB3 ASP A 42 -18.660 -5.542 -38.718 1.00 71.43 H new ATOM 666 N TYR A 43 -17.627 -5.100 -34.466 1.00 61.11 N ATOM 667 CA TYR A 43 -16.692 -5.245 -33.357 1.00 11.05 C ATOM 668 C TYR A 43 -16.907 -6.571 -32.633 1.00 43.10 C ATOM 669 O TYR A 43 -15.956 -7.194 -32.158 1.00 52.52 O ATOM 670 CB TYR A 43 -16.851 -4.084 -32.374 1.00 5.42 C ATOM 671 CG TYR A 43 -15.571 -3.721 -31.654 1.00 34.04 C ATOM 672 CD1 TYR A 43 -14.400 -3.474 -32.358 1.00 61.15 C ATOM 673 CD2 TYR A 43 -15.535 -3.624 -30.268 1.00 21.41 C ATOM 674 CE1 TYR A 43 -13.229 -3.143 -31.704 1.00 60.44 C ATOM 675 CE2 TYR A 43 -14.369 -3.293 -29.605 1.00 42.25 C ATOM 676 CZ TYR A 43 -13.218 -3.054 -30.328 1.00 55.20 C ATOM 677 OH TYR A 43 -12.054 -2.723 -29.673 1.00 34.22 O ATOM 0 H TYR A 43 -18.246 -4.292 -34.393 1.00 61.11 H new ATOM 0 HA TYR A 43 -15.681 -5.233 -33.764 1.00 11.05 H new ATOM 0 HB2 TYR A 43 -17.215 -3.210 -32.913 1.00 5.42 H new ATOM 0 HB3 TYR A 43 -17.611 -4.344 -31.637 1.00 5.42 H new ATOM 0 HD1 TYR A 43 -14.405 -3.542 -33.436 1.00 61.15 H new ATOM 0 HD2 TYR A 43 -16.434 -3.811 -29.699 1.00 21.41 H new ATOM 0 HE1 TYR A 43 -12.327 -2.955 -32.267 1.00 60.44 H new ATOM 0 HE2 TYR A 43 -14.358 -3.222 -28.527 1.00 42.25 H new ATOM 0 HH TYR A 43 -12.217 -2.702 -28.707 1.00 34.22 H new ATOM 687 N HIS A 44 -18.163 -6.998 -32.554 1.00 11.44 N ATOM 688 CA HIS A 44 -18.504 -8.251 -31.889 1.00 54.43 C ATOM 689 C HIS A 44 -17.723 -9.415 -32.490 1.00 45.35 C ATOM 690 O HIS A 44 -17.272 -10.310 -31.775 1.00 33.22 O ATOM 691 CB HIS A 44 -20.006 -8.518 -32.000 1.00 23.34 C ATOM 692 CG HIS A 44 -20.772 -8.151 -30.766 1.00 63.11 C ATOM 693 ND1 HIS A 44 -21.250 -6.880 -30.528 1.00 2.14 N ATOM 694 CD2 HIS A 44 -21.144 -8.897 -29.700 1.00 24.51 C ATOM 695 CE1 HIS A 44 -21.881 -6.860 -29.367 1.00 50.23 C ATOM 696 NE2 HIS A 44 -21.831 -8.072 -28.845 1.00 13.11 N ATOM 0 H HIS A 44 -18.961 -6.495 -32.942 1.00 11.44 H new ATOM 0 HA HIS A 44 -18.235 -8.161 -30.837 1.00 54.43 H new ATOM 0 HB2 HIS A 44 -20.405 -7.958 -32.846 1.00 23.34 H new ATOM 0 HB3 HIS A 44 -20.164 -9.575 -32.215 1.00 23.34 H new ATOM 0 HD2 HIS A 44 -20.938 -9.947 -29.550 1.00 24.51 H new ATOM 0 HE1 HIS A 44 -22.357 -5.999 -28.921 1.00 50.23 H new ATOM 0 HE2 HIS A 44 -22.237 -8.350 -27.951 1.00 13.11 H new ATOM 704 N THR A 45 -17.565 -9.397 -33.810 1.00 41.35 N ATOM 705 CA THR A 45 -16.840 -10.451 -34.508 1.00 44.10 C ATOM 706 C THR A 45 -15.343 -10.165 -34.532 1.00 45.04 C ATOM 707 O THR A 45 -14.528 -11.078 -34.670 1.00 10.21 O ATOM 708 CB THR A 45 -17.343 -10.617 -35.954 1.00 43.55 C ATOM 709 OG1 THR A 45 -18.628 -10.001 -36.100 1.00 25.22 O ATOM 710 CG2 THR A 45 -17.434 -12.088 -36.331 1.00 1.34 C ATOM 0 H THR A 45 -17.930 -8.663 -34.417 1.00 41.35 H new ATOM 0 HA THR A 45 -17.022 -11.376 -33.960 1.00 44.10 H new ATOM 0 HB THR A 45 -16.630 -10.132 -36.621 1.00 43.55 H new ATOM 0 HG1 THR A 45 -18.940 -10.110 -37.023 1.00 25.22 H new ATOM 0 HG21 THR A 45 -17.792 -12.179 -37.357 1.00 1.34 H new ATOM 0 HG22 THR A 45 -16.449 -12.546 -36.248 1.00 1.34 H new ATOM 0 HG23 THR A 45 -18.127 -12.594 -35.659 1.00 1.34 H new ATOM 718 N VAL A 46 -14.986 -8.892 -34.397 1.00 44.33 N ATOM 719 CA VAL A 46 -13.585 -8.486 -34.402 1.00 13.41 C ATOM 720 C VAL A 46 -12.896 -8.876 -33.100 1.00 25.14 C ATOM 721 O VAL A 46 -11.844 -9.517 -33.110 1.00 51.14 O ATOM 722 CB VAL A 46 -13.442 -6.966 -34.610 1.00 72.23 C ATOM 723 CG1 VAL A 46 -11.981 -6.552 -34.532 1.00 2.41 C ATOM 724 CG2 VAL A 46 -14.052 -6.552 -35.941 1.00 1.41 C ATOM 0 H VAL A 46 -15.647 -8.124 -34.283 1.00 44.33 H new ATOM 0 HA VAL A 46 -13.108 -9.006 -35.233 1.00 13.41 H new ATOM 0 HB VAL A 46 -13.982 -6.455 -33.813 1.00 72.23 H new ATOM 0 HG11 VAL A 46 -11.899 -5.475 -34.681 1.00 2.41 H new ATOM 0 HG12 VAL A 46 -11.580 -6.814 -33.553 1.00 2.41 H new ATOM 0 HG13 VAL A 46 -11.414 -7.070 -35.306 1.00 2.41 H new ATOM 0 HG21 VAL A 46 -13.943 -5.475 -36.072 1.00 1.41 H new ATOM 0 HG22 VAL A 46 -13.541 -7.070 -36.752 1.00 1.41 H new ATOM 0 HG23 VAL A 46 -15.110 -6.813 -35.953 1.00 1.41 H new ATOM 734 N ILE A 47 -13.494 -8.486 -31.979 1.00 74.34 N ATOM 735 CA ILE A 47 -12.938 -8.797 -30.668 1.00 74.24 C ATOM 736 C ILE A 47 -13.976 -9.469 -29.776 1.00 74.44 C ATOM 737 O ILE A 47 -13.663 -10.396 -29.028 1.00 45.44 O ATOM 738 CB ILE A 47 -12.415 -7.531 -29.964 1.00 73.32 C ATOM 739 CG1 ILE A 47 -12.106 -7.829 -28.496 1.00 35.15 C ATOM 740 CG2 ILE A 47 -13.430 -6.403 -30.080 1.00 23.43 C ATOM 741 CD1 ILE A 47 -11.147 -8.983 -28.302 1.00 14.35 C ATOM 0 H ILE A 47 -14.364 -7.954 -31.953 1.00 74.34 H new ATOM 0 HA ILE A 47 -12.106 -9.482 -30.832 1.00 74.24 H new ATOM 0 HB ILE A 47 -11.493 -7.215 -30.453 1.00 73.32 H new ATOM 0 HG12 ILE A 47 -11.686 -6.936 -28.033 1.00 35.15 H new ATOM 0 HG13 ILE A 47 -13.037 -8.050 -27.975 1.00 35.15 H new ATOM 0 HG21 ILE A 47 -13.046 -5.515 -29.578 1.00 23.43 H new ATOM 0 HG22 ILE A 47 -13.605 -6.178 -31.132 1.00 23.43 H new ATOM 0 HG23 ILE A 47 -14.367 -6.707 -29.613 1.00 23.43 H new ATOM 0 HD11 ILE A 47 -10.974 -9.137 -27.237 1.00 14.35 H new ATOM 0 HD12 ILE A 47 -11.574 -9.888 -28.735 1.00 14.35 H new ATOM 0 HD13 ILE A 47 -10.201 -8.757 -28.794 1.00 14.35 H new ATOM 753 N LYS A 48 -15.216 -8.998 -29.862 1.00 22.15 N ATOM 754 CA LYS A 48 -16.303 -9.555 -29.065 1.00 1.40 C ATOM 755 C LYS A 48 -16.203 -9.097 -27.613 1.00 72.13 C ATOM 756 O LYS A 48 -17.118 -8.462 -27.089 1.00 32.25 O ATOM 757 CB LYS A 48 -16.281 -11.083 -29.132 1.00 22.33 C ATOM 758 CG LYS A 48 -17.658 -11.716 -29.033 1.00 21.42 C ATOM 759 CD LYS A 48 -17.622 -13.190 -29.403 1.00 52.30 C ATOM 760 CE LYS A 48 -17.706 -13.388 -30.909 1.00 32.23 C ATOM 761 NZ LYS A 48 -17.281 -14.757 -31.312 1.00 63.13 N ATOM 0 H LYS A 48 -15.493 -8.232 -30.476 1.00 22.15 H new ATOM 0 HA LYS A 48 -17.245 -9.193 -29.477 1.00 1.40 H new ATOM 0 HB2 LYS A 48 -15.815 -11.391 -30.068 1.00 22.33 H new ATOM 0 HB3 LYS A 48 -15.656 -11.465 -28.325 1.00 22.33 H new ATOM 0 HG2 LYS A 48 -18.039 -11.604 -28.018 1.00 21.42 H new ATOM 0 HG3 LYS A 48 -18.349 -11.191 -29.693 1.00 21.42 H new ATOM 0 HD2 LYS A 48 -16.703 -13.639 -29.027 1.00 52.30 H new ATOM 0 HD3 LYS A 48 -18.450 -13.708 -28.920 1.00 52.30 H new ATOM 0 HE2 LYS A 48 -18.729 -13.212 -31.242 1.00 32.23 H new ATOM 0 HE3 LYS A 48 -17.077 -12.651 -31.408 1.00 32.23 H new ATOM 0 HZ1 LYS A 48 -17.352 -14.853 -32.345 1.00 63.13 H new ATOM 0 HZ2 LYS A 48 -16.297 -14.916 -31.017 1.00 63.13 H new ATOM 0 HZ3 LYS A 48 -17.897 -15.460 -30.856 1.00 63.13 H new ATOM 775 N ARG A 49 -15.086 -9.422 -26.970 1.00 74.35 N ATOM 776 CA ARG A 49 -14.868 -9.044 -25.580 1.00 24.24 C ATOM 777 C ARG A 49 -14.430 -7.586 -25.475 1.00 34.01 C ATOM 778 O ARG A 49 -13.349 -7.203 -25.921 1.00 41.05 O ATOM 779 CB ARG A 49 -13.813 -9.951 -24.942 1.00 52.11 C ATOM 780 CG ARG A 49 -14.363 -10.846 -23.844 1.00 14.13 C ATOM 781 CD ARG A 49 -14.298 -10.165 -22.485 1.00 61.24 C ATOM 782 NE ARG A 49 -13.534 -10.947 -21.517 1.00 62.54 N ATOM 783 CZ ARG A 49 -13.948 -12.107 -21.019 1.00 22.11 C ATOM 784 NH1 ARG A 49 -15.112 -12.616 -21.396 1.00 35.44 N ATOM 785 NH2 ARG A 49 -13.196 -12.760 -20.142 1.00 2.00 N ATOM 0 H ARG A 49 -14.318 -9.946 -27.390 1.00 74.35 H new ATOM 0 HA ARG A 49 -15.811 -9.162 -25.046 1.00 24.24 H new ATOM 0 HB2 ARG A 49 -13.365 -10.574 -25.716 1.00 52.11 H new ATOM 0 HB3 ARG A 49 -13.016 -9.333 -24.530 1.00 52.11 H new ATOM 0 HG2 ARG A 49 -15.396 -11.109 -24.071 1.00 14.13 H new ATOM 0 HG3 ARG A 49 -13.796 -11.776 -23.813 1.00 14.13 H new ATOM 0 HD2 ARG A 49 -13.844 -9.180 -22.594 1.00 61.24 H new ATOM 0 HD3 ARG A 49 -15.309 -10.010 -22.109 1.00 61.24 H new ATOM 0 HE ARG A 49 -12.633 -10.583 -21.206 1.00 62.54 H new ATOM 0 HH11 ARG A 49 -15.692 -12.117 -22.070 1.00 35.44 H new ATOM 0 HH12 ARG A 49 -15.427 -13.507 -21.012 1.00 35.44 H new ATOM 0 HH21 ARG A 49 -12.299 -12.371 -19.850 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -13.515 -13.651 -19.760 1.00 2.00 H new ATOM 799 N PRO A 50 -15.290 -6.752 -24.871 1.00 73.03 N ATOM 800 CA PRO A 50 -15.015 -5.323 -24.694 1.00 23.21 C ATOM 801 C PRO A 50 -13.904 -5.068 -23.681 1.00 31.55 C ATOM 802 O PRO A 50 -13.894 -5.651 -22.596 1.00 64.42 O ATOM 803 CB PRO A 50 -16.345 -4.767 -24.180 1.00 50.55 C ATOM 804 CG PRO A 50 -17.016 -5.927 -23.531 1.00 22.24 C ATOM 805 CD PRO A 50 -16.597 -7.140 -24.315 1.00 54.22 C ATOM 0 HA PRO A 50 -14.671 -4.857 -25.617 1.00 23.21 H new ATOM 0 HB2 PRO A 50 -16.187 -3.954 -23.471 1.00 50.55 H new ATOM 0 HB3 PRO A 50 -16.948 -4.366 -24.995 1.00 50.55 H new ATOM 0 HG2 PRO A 50 -16.718 -6.016 -22.486 1.00 22.24 H new ATOM 0 HG3 PRO A 50 -18.099 -5.809 -23.545 1.00 22.24 H new ATOM 0 HD2 PRO A 50 -16.517 -8.022 -23.679 1.00 54.22 H new ATOM 0 HD3 PRO A 50 -17.314 -7.378 -25.101 1.00 54.22 H new ATOM 813 N VAL A 51 -12.970 -4.194 -24.040 1.00 52.43 N ATOM 814 CA VAL A 51 -11.856 -3.860 -23.161 1.00 64.54 C ATOM 815 C VAL A 51 -11.983 -2.438 -22.628 1.00 24.01 C ATOM 816 O VAL A 51 -12.180 -1.493 -23.392 1.00 5.23 O ATOM 817 CB VAL A 51 -10.505 -4.006 -23.888 1.00 12.12 C ATOM 818 CG1 VAL A 51 -10.508 -3.211 -25.185 1.00 1.24 C ATOM 819 CG2 VAL A 51 -9.364 -3.564 -22.984 1.00 52.31 C ATOM 0 H VAL A 51 -12.963 -3.704 -24.934 1.00 52.43 H new ATOM 0 HA VAL A 51 -11.890 -4.561 -22.327 1.00 64.54 H new ATOM 0 HB VAL A 51 -10.356 -5.057 -24.135 1.00 12.12 H new ATOM 0 HG11 VAL A 51 -9.546 -3.326 -25.684 1.00 1.24 H new ATOM 0 HG12 VAL A 51 -11.301 -3.579 -25.836 1.00 1.24 H new ATOM 0 HG13 VAL A 51 -10.679 -2.157 -24.965 1.00 1.24 H new ATOM 0 HG21 VAL A 51 -8.417 -3.674 -23.513 1.00 52.31 H new ATOM 0 HG22 VAL A 51 -9.505 -2.520 -22.705 1.00 52.31 H new ATOM 0 HG23 VAL A 51 -9.351 -4.181 -22.086 1.00 52.31 H new ATOM 829 N ASP A 52 -11.868 -2.293 -21.312 1.00 72.24 N ATOM 830 CA ASP A 52 -11.969 -0.985 -20.676 1.00 24.25 C ATOM 831 C ASP A 52 -10.771 -0.731 -19.765 1.00 14.21 C ATOM 832 O ASP A 52 -10.135 -1.668 -19.281 1.00 72.34 O ATOM 833 CB ASP A 52 -13.266 -0.883 -19.873 1.00 35.33 C ATOM 834 CG ASP A 52 -13.695 0.553 -19.645 1.00 21.14 C ATOM 835 OD1 ASP A 52 -13.100 1.456 -20.269 1.00 4.32 O ATOM 836 OD2 ASP A 52 -14.626 0.774 -18.843 1.00 31.54 O ATOM 0 H ASP A 52 -11.705 -3.065 -20.666 1.00 72.24 H new ATOM 0 HA ASP A 52 -11.976 -0.227 -21.459 1.00 24.25 H new ATOM 0 HB2 ASP A 52 -14.058 -1.417 -20.398 1.00 35.33 H new ATOM 0 HB3 ASP A 52 -13.134 -1.377 -18.910 1.00 35.33 H new ATOM 841 N LEU A 53 -10.469 0.542 -19.536 1.00 0.23 N ATOM 842 CA LEU A 53 -9.347 0.921 -18.684 1.00 21.33 C ATOM 843 C LEU A 53 -9.712 0.781 -17.209 1.00 65.12 C ATOM 844 O LEU A 53 -8.926 0.271 -16.411 1.00 22.42 O ATOM 845 CB LEU A 53 -8.918 2.359 -18.981 1.00 22.44 C ATOM 846 CG LEU A 53 -7.702 2.869 -18.207 1.00 43.41 C ATOM 847 CD1 LEU A 53 -6.467 2.051 -18.552 1.00 34.42 C ATOM 848 CD2 LEU A 53 -7.465 4.344 -18.499 1.00 64.14 C ATOM 0 H LEU A 53 -10.985 1.329 -19.928 1.00 0.23 H new ATOM 0 HA LEU A 53 -8.516 0.249 -18.899 1.00 21.33 H new ATOM 0 HB2 LEU A 53 -8.706 2.441 -20.047 1.00 22.44 H new ATOM 0 HB3 LEU A 53 -9.760 3.019 -18.772 1.00 22.44 H new ATOM 0 HG LEU A 53 -7.901 2.756 -17.141 1.00 43.41 H new ATOM 0 HD11 LEU A 53 -5.612 2.429 -17.991 1.00 34.42 H new ATOM 0 HD12 LEU A 53 -6.638 1.006 -18.292 1.00 34.42 H new ATOM 0 HD13 LEU A 53 -6.264 2.131 -19.620 1.00 34.42 H new ATOM 0 HD21 LEU A 53 -6.596 4.691 -17.940 1.00 64.14 H new ATOM 0 HD22 LEU A 53 -7.288 4.480 -19.566 1.00 64.14 H new ATOM 0 HD23 LEU A 53 -8.341 4.919 -18.201 1.00 64.14 H new ATOM 860 N SER A 54 -10.909 1.236 -16.855 1.00 73.23 N ATOM 861 CA SER A 54 -11.378 1.163 -15.476 1.00 41.04 C ATOM 862 C SER A 54 -11.594 -0.286 -15.052 1.00 21.42 C ATOM 863 O SER A 54 -11.314 -0.659 -13.913 1.00 24.52 O ATOM 864 CB SER A 54 -12.678 1.953 -15.315 1.00 32.20 C ATOM 865 OG SER A 54 -13.174 1.854 -13.991 1.00 4.41 O ATOM 0 H SER A 54 -11.572 1.659 -17.504 1.00 73.23 H new ATOM 0 HA SER A 54 -10.613 1.601 -14.834 1.00 41.04 H new ATOM 0 HB2 SER A 54 -12.504 3.000 -15.564 1.00 32.20 H new ATOM 0 HB3 SER A 54 -13.424 1.578 -16.015 1.00 32.20 H new ATOM 0 HG SER A 54 -14.004 2.369 -13.913 1.00 4.41 H new ATOM 871 N SER A 55 -12.094 -1.099 -15.977 1.00 34.11 N ATOM 872 CA SER A 55 -12.352 -2.507 -15.699 1.00 32.12 C ATOM 873 C SER A 55 -11.067 -3.226 -15.301 1.00 31.45 C ATOM 874 O SER A 55 -11.082 -4.126 -14.460 1.00 4.13 O ATOM 875 CB SER A 55 -12.972 -3.185 -16.922 1.00 65.44 C ATOM 876 OG SER A 55 -14.254 -2.653 -17.206 1.00 45.35 O ATOM 0 H SER A 55 -12.329 -0.807 -16.926 1.00 34.11 H new ATOM 0 HA SER A 55 -13.053 -2.565 -14.866 1.00 32.12 H new ATOM 0 HB2 SER A 55 -12.320 -3.051 -17.785 1.00 65.44 H new ATOM 0 HB3 SER A 55 -13.051 -4.258 -16.746 1.00 65.44 H new ATOM 0 HG SER A 55 -14.628 -3.102 -17.993 1.00 45.35 H new ATOM 882 N ILE A 56 -9.958 -2.823 -15.910 1.00 64.35 N ATOM 883 CA ILE A 56 -8.664 -3.428 -15.619 1.00 43.24 C ATOM 884 C ILE A 56 -8.175 -3.037 -14.229 1.00 22.32 C ATOM 885 O ILE A 56 -7.737 -3.887 -13.452 1.00 55.42 O ATOM 886 CB ILE A 56 -7.604 -3.017 -16.658 1.00 43.42 C ATOM 887 CG1 ILE A 56 -7.925 -3.637 -18.020 1.00 2.43 C ATOM 888 CG2 ILE A 56 -6.217 -3.435 -16.194 1.00 4.34 C ATOM 889 CD1 ILE A 56 -7.848 -5.147 -18.029 1.00 21.21 C ATOM 0 H ILE A 56 -9.929 -2.080 -16.608 1.00 64.35 H new ATOM 0 HA ILE A 56 -8.804 -4.508 -15.662 1.00 43.24 H new ATOM 0 HB ILE A 56 -7.620 -1.932 -16.761 1.00 43.42 H new ATOM 0 HG12 ILE A 56 -8.926 -3.330 -18.323 1.00 2.43 H new ATOM 0 HG13 ILE A 56 -7.232 -3.241 -18.763 1.00 2.43 H new ATOM 0 HG21 ILE A 56 -5.479 -3.138 -16.939 1.00 4.34 H new ATOM 0 HG22 ILE A 56 -5.990 -2.951 -15.244 1.00 4.34 H new ATOM 0 HG23 ILE A 56 -6.187 -4.517 -16.066 1.00 4.34 H new ATOM 0 HD11 ILE A 56 -8.087 -5.518 -19.026 1.00 21.21 H new ATOM 0 HD12 ILE A 56 -6.840 -5.462 -17.757 1.00 21.21 H new ATOM 0 HD13 ILE A 56 -8.561 -5.552 -17.311 1.00 21.21 H new ATOM 901 N ARG A 57 -8.254 -1.747 -13.921 1.00 4.14 N ATOM 902 CA ARG A 57 -7.820 -1.243 -12.623 1.00 63.40 C ATOM 903 C ARG A 57 -8.716 -1.772 -11.507 1.00 74.13 C ATOM 904 O ARG A 57 -8.238 -2.137 -10.433 1.00 40.40 O ATOM 905 CB ARG A 57 -7.828 0.286 -12.617 1.00 11.31 C ATOM 906 CG ARG A 57 -7.294 0.893 -11.330 1.00 11.22 C ATOM 907 CD ARG A 57 -5.815 0.591 -11.143 1.00 53.52 C ATOM 908 NE ARG A 57 -5.094 1.724 -10.568 1.00 31.41 N ATOM 909 CZ ARG A 57 -3.794 1.706 -10.297 1.00 63.44 C ATOM 910 NH1 ARG A 57 -3.076 0.620 -10.549 1.00 63.13 N ATOM 911 NH2 ARG A 57 -3.209 2.776 -9.774 1.00 62.33 N ATOM 0 H ARG A 57 -8.614 -1.031 -14.552 1.00 4.14 H new ATOM 0 HA ARG A 57 -6.803 -1.594 -12.446 1.00 63.40 H new ATOM 0 HB2 ARG A 57 -7.231 0.647 -13.454 1.00 11.31 H new ATOM 0 HB3 ARG A 57 -8.848 0.636 -12.778 1.00 11.31 H new ATOM 0 HG2 ARG A 57 -7.447 1.972 -11.345 1.00 11.22 H new ATOM 0 HG3 ARG A 57 -7.856 0.503 -10.482 1.00 11.22 H new ATOM 0 HD2 ARG A 57 -5.701 -0.278 -10.495 1.00 53.52 H new ATOM 0 HD3 ARG A 57 -5.374 0.331 -12.105 1.00 53.52 H new ATOM 0 HE ARG A 57 -5.618 2.575 -10.364 1.00 31.41 H new ATOM 0 HH11 ARG A 57 -3.522 -0.204 -10.952 1.00 63.13 H new ATOM 0 HH12 ARG A 57 -2.078 0.609 -10.340 1.00 63.13 H new ATOM 0 HH21 ARG A 57 -3.758 3.614 -9.580 1.00 62.33 H new ATOM 0 HH22 ARG A 57 -2.210 2.761 -9.566 1.00 62.33 H new ATOM 925 N ASP A 58 -10.018 -1.810 -11.770 1.00 31.15 N ATOM 926 CA ASP A 58 -10.982 -2.294 -10.788 1.00 61.41 C ATOM 927 C ASP A 58 -10.895 -3.811 -10.643 1.00 41.45 C ATOM 928 O ASP A 58 -11.021 -4.348 -9.544 1.00 3.31 O ATOM 929 CB ASP A 58 -12.400 -1.889 -11.192 1.00 13.34 C ATOM 930 CG ASP A 58 -13.449 -2.422 -10.235 1.00 50.32 C ATOM 931 OD1 ASP A 58 -13.944 -3.545 -10.464 1.00 23.11 O ATOM 932 OD2 ASP A 58 -13.776 -1.715 -9.259 1.00 1.04 O ATOM 0 H ASP A 58 -10.430 -1.512 -12.654 1.00 31.15 H new ATOM 0 HA ASP A 58 -10.743 -1.841 -9.826 1.00 61.41 H new ATOM 0 HB2 ASP A 58 -12.467 -0.802 -11.231 1.00 13.34 H new ATOM 0 HB3 ASP A 58 -12.608 -2.258 -12.196 1.00 13.34 H new ATOM 937 N GLY A 59 -10.680 -4.496 -11.763 1.00 3.43 N ATOM 938 CA GLY A 59 -10.581 -5.943 -11.739 1.00 20.20 C ATOM 939 C GLY A 59 -9.371 -6.429 -10.966 1.00 30.31 C ATOM 940 O GLY A 59 -9.479 -7.331 -10.134 1.00 0.41 O ATOM 0 H GLY A 59 -10.573 -4.074 -12.685 1.00 3.43 H new ATOM 0 HA2 GLY A 59 -11.484 -6.358 -11.292 1.00 20.20 H new ATOM 0 HA3 GLY A 59 -10.530 -6.318 -12.761 1.00 20.20 H new ATOM 944 N ILE A 60 -8.216 -5.833 -11.242 1.00 12.14 N ATOM 945 CA ILE A 60 -6.981 -6.211 -10.566 1.00 32.21 C ATOM 946 C ILE A 60 -7.030 -5.847 -9.086 1.00 54.31 C ATOM 947 O ILE A 60 -6.583 -6.613 -8.233 1.00 53.14 O ATOM 948 CB ILE A 60 -5.757 -5.534 -11.210 1.00 10.34 C ATOM 949 CG1 ILE A 60 -5.572 -6.025 -12.647 1.00 22.13 C ATOM 950 CG2 ILE A 60 -4.507 -5.805 -10.386 1.00 32.42 C ATOM 951 CD1 ILE A 60 -5.385 -7.522 -12.754 1.00 34.40 C ATOM 0 H ILE A 60 -8.110 -5.087 -11.929 1.00 12.14 H new ATOM 0 HA ILE A 60 -6.884 -7.292 -10.668 1.00 32.21 H new ATOM 0 HB ILE A 60 -5.926 -4.457 -11.233 1.00 10.34 H new ATOM 0 HG12 ILE A 60 -6.440 -5.732 -13.237 1.00 22.13 H new ATOM 0 HG13 ILE A 60 -4.707 -5.527 -13.084 1.00 22.13 H new ATOM 0 HG21 ILE A 60 -3.650 -5.320 -10.854 1.00 32.42 H new ATOM 0 HG22 ILE A 60 -4.642 -5.410 -9.379 1.00 32.42 H new ATOM 0 HG23 ILE A 60 -4.332 -6.880 -10.334 1.00 32.42 H new ATOM 0 HD11 ILE A 60 -5.260 -7.799 -13.801 1.00 34.40 H new ATOM 0 HD12 ILE A 60 -4.500 -7.819 -12.192 1.00 34.40 H new ATOM 0 HD13 ILE A 60 -6.260 -8.028 -12.347 1.00 34.40 H new ATOM 963 N GLU A 61 -7.578 -4.672 -8.789 1.00 73.42 N ATOM 964 CA GLU A 61 -7.687 -4.207 -7.411 1.00 63.25 C ATOM 965 C GLU A 61 -8.638 -5.092 -6.612 1.00 31.54 C ATOM 966 O GLU A 61 -8.445 -5.309 -5.415 1.00 72.11 O ATOM 967 CB GLU A 61 -8.172 -2.756 -7.376 1.00 65.43 C ATOM 968 CG GLU A 61 -7.838 -2.034 -6.082 1.00 25.22 C ATOM 969 CD GLU A 61 -8.834 -0.940 -5.750 1.00 61.32 C ATOM 970 OE1 GLU A 61 -10.040 -1.138 -6.006 1.00 42.25 O ATOM 971 OE2 GLU A 61 -8.407 0.114 -5.234 1.00 23.31 O ATOM 0 H GLU A 61 -7.953 -4.026 -9.483 1.00 73.42 H new ATOM 0 HA GLU A 61 -6.698 -4.263 -6.956 1.00 63.25 H new ATOM 0 HB2 GLU A 61 -7.728 -2.213 -8.210 1.00 65.43 H new ATOM 0 HB3 GLU A 61 -9.252 -2.739 -7.523 1.00 65.43 H new ATOM 0 HG2 GLU A 61 -7.810 -2.755 -5.265 1.00 25.22 H new ATOM 0 HG3 GLU A 61 -6.841 -1.601 -6.159 1.00 25.22 H new ATOM 978 N LYS A 62 -9.667 -5.601 -7.281 1.00 62.41 N ATOM 979 CA LYS A 62 -10.649 -6.464 -6.635 1.00 53.23 C ATOM 980 C LYS A 62 -10.178 -7.914 -6.626 1.00 64.32 C ATOM 981 O LYS A 62 -10.603 -8.710 -5.790 1.00 62.31 O ATOM 982 CB LYS A 62 -11.998 -6.360 -7.351 1.00 12.44 C ATOM 983 CG LYS A 62 -12.638 -4.986 -7.246 1.00 2.14 C ATOM 984 CD LYS A 62 -13.254 -4.761 -5.875 1.00 1.10 C ATOM 985 CE LYS A 62 -13.901 -3.388 -5.773 1.00 45.01 C ATOM 986 NZ LYS A 62 -15.093 -3.270 -6.657 1.00 50.52 N ATOM 0 H LYS A 62 -9.843 -5.431 -8.271 1.00 62.41 H new ATOM 0 HA LYS A 62 -10.764 -6.132 -5.603 1.00 53.23 H new ATOM 0 HB2 LYS A 62 -11.861 -6.608 -8.403 1.00 12.44 H new ATOM 0 HB3 LYS A 62 -12.679 -7.102 -6.934 1.00 12.44 H new ATOM 0 HG2 LYS A 62 -11.888 -4.219 -7.439 1.00 2.14 H new ATOM 0 HG3 LYS A 62 -13.406 -4.882 -8.012 1.00 2.14 H new ATOM 0 HD2 LYS A 62 -14.000 -5.531 -5.679 1.00 1.10 H new ATOM 0 HD3 LYS A 62 -12.485 -4.860 -5.109 1.00 1.10 H new ATOM 0 HE2 LYS A 62 -14.195 -3.201 -4.740 1.00 45.01 H new ATOM 0 HE3 LYS A 62 -13.173 -2.622 -6.041 1.00 45.01 H new ATOM 0 HZ1 LYS A 62 -15.835 -2.729 -6.169 1.00 50.52 H new ATOM 0 HZ2 LYS A 62 -14.827 -2.779 -7.534 1.00 50.52 H new ATOM 0 HZ3 LYS A 62 -15.450 -4.219 -6.886 1.00 50.52 H new ATOM 1000 N GLY A 63 -9.295 -8.251 -7.562 1.00 4.13 N ATOM 1001 CA GLY A 63 -8.779 -9.605 -7.642 1.00 41.02 C ATOM 1002 C GLY A 63 -9.617 -10.492 -8.542 1.00 45.20 C ATOM 1003 O GLY A 63 -9.661 -11.709 -8.361 1.00 24.21 O ATOM 0 H GLY A 63 -8.928 -7.610 -8.266 1.00 4.13 H new ATOM 0 HA2 GLY A 63 -7.755 -9.579 -8.014 1.00 41.02 H new ATOM 0 HA3 GLY A 63 -8.744 -10.037 -6.642 1.00 41.02 H new ATOM 1007 N THR A 64 -10.285 -9.881 -9.515 1.00 75.54 N ATOM 1008 CA THR A 64 -11.128 -10.623 -10.445 1.00 52.20 C ATOM 1009 C THR A 64 -10.394 -11.836 -11.005 1.00 51.43 C ATOM 1010 O THR A 64 -11.007 -12.860 -11.307 1.00 12.03 O ATOM 1011 CB THR A 64 -11.593 -9.733 -11.614 1.00 32.44 C ATOM 1012 OG1 THR A 64 -12.500 -10.459 -12.451 1.00 30.31 O ATOM 1013 CG2 THR A 64 -10.406 -9.257 -12.437 1.00 1.14 C ATOM 0 H THR A 64 -10.259 -8.875 -9.680 1.00 75.54 H new ATOM 0 HA THR A 64 -12.000 -10.957 -9.883 1.00 52.20 H new ATOM 0 HB THR A 64 -12.100 -8.862 -11.199 1.00 32.44 H new ATOM 0 HG1 THR A 64 -12.792 -9.886 -13.191 1.00 30.31 H new ATOM 0 HG21 THR A 64 -10.759 -8.631 -13.256 1.00 1.14 H new ATOM 0 HG22 THR A 64 -9.732 -8.680 -11.804 1.00 1.14 H new ATOM 0 HG23 THR A 64 -9.875 -10.119 -12.842 1.00 1.14 H new ATOM 1021 N TYR A 65 -9.078 -11.714 -11.142 1.00 14.31 N ATOM 1022 CA TYR A 65 -8.261 -12.800 -11.668 1.00 23.21 C ATOM 1023 C TYR A 65 -8.326 -14.022 -10.757 1.00 14.04 C ATOM 1024 O TYR A 65 -9.077 -14.043 -9.782 1.00 21.35 O ATOM 1025 CB TYR A 65 -6.809 -12.344 -11.824 1.00 70.34 C ATOM 1026 CG TYR A 65 -6.246 -11.682 -10.588 1.00 2.44 C ATOM 1027 CD1 TYR A 65 -6.053 -12.402 -9.416 1.00 23.43 C ATOM 1028 CD2 TYR A 65 -5.906 -10.334 -10.591 1.00 61.24 C ATOM 1029 CE1 TYR A 65 -5.539 -11.801 -8.283 1.00 52.43 C ATOM 1030 CE2 TYR A 65 -5.390 -9.724 -9.464 1.00 74.40 C ATOM 1031 CZ TYR A 65 -5.209 -10.462 -8.312 1.00 54.44 C ATOM 1032 OH TYR A 65 -4.696 -9.859 -7.187 1.00 12.21 O ATOM 0 H TYR A 65 -8.555 -10.874 -10.896 1.00 14.31 H new ATOM 0 HA TYR A 65 -8.656 -13.077 -12.646 1.00 23.21 H new ATOM 0 HB2 TYR A 65 -6.192 -13.206 -12.077 1.00 70.34 H new ATOM 0 HB3 TYR A 65 -6.744 -11.648 -12.660 1.00 70.34 H new ATOM 0 HD1 TYR A 65 -6.309 -13.451 -9.390 1.00 23.43 H new ATOM 0 HD2 TYR A 65 -6.048 -9.753 -11.490 1.00 61.24 H new ATOM 0 HE1 TYR A 65 -5.396 -12.376 -7.380 1.00 52.43 H new ATOM 0 HE2 TYR A 65 -5.130 -8.676 -9.484 1.00 74.40 H new ATOM 0 HH TYR A 65 -4.751 -10.479 -6.430 1.00 12.21 H new ATOM 1042 N ALA A 66 -7.534 -15.038 -11.082 1.00 60.00 N ATOM 1043 CA ALA A 66 -7.499 -16.263 -10.293 1.00 0.24 C ATOM 1044 C ALA A 66 -6.064 -16.711 -10.038 1.00 2.24 C ATOM 1045 O ALA A 66 -5.739 -17.206 -8.958 1.00 1.33 O ATOM 1046 CB ALA A 66 -8.281 -17.364 -10.992 1.00 73.33 C ATOM 0 H ALA A 66 -6.907 -15.037 -11.887 1.00 60.00 H new ATOM 0 HA ALA A 66 -7.965 -16.058 -9.329 1.00 0.24 H new ATOM 0 HB1 ALA A 66 -8.246 -18.273 -10.391 1.00 73.33 H new ATOM 0 HB2 ALA A 66 -9.318 -17.051 -11.117 1.00 73.33 H new ATOM 0 HB3 ALA A 66 -7.841 -17.558 -11.970 1.00 73.33 H new ATOM 1052 N THR A 67 -5.207 -16.535 -11.039 1.00 30.11 N ATOM 1053 CA THR A 67 -3.807 -16.923 -10.924 1.00 21.03 C ATOM 1054 C THR A 67 -2.990 -16.388 -12.094 1.00 51.22 C ATOM 1055 O THR A 67 -3.484 -15.597 -12.898 1.00 72.23 O ATOM 1056 CB THR A 67 -3.651 -18.454 -10.862 1.00 35.24 C ATOM 1057 OG1 THR A 67 -4.937 -19.081 -10.939 1.00 2.34 O ATOM 1058 CG2 THR A 67 -2.952 -18.876 -9.578 1.00 14.51 C ATOM 0 H THR A 67 -5.458 -16.126 -11.939 1.00 30.11 H new ATOM 0 HA THR A 67 -3.435 -16.489 -9.996 1.00 21.03 H new ATOM 0 HB THR A 67 -3.042 -18.769 -11.709 1.00 35.24 H new ATOM 0 HG1 THR A 67 -4.829 -20.054 -10.900 1.00 2.34 H new ATOM 0 HG21 THR A 67 -2.853 -19.961 -9.557 1.00 14.51 H new ATOM 0 HG22 THR A 67 -1.962 -18.421 -9.536 1.00 14.51 H new ATOM 0 HG23 THR A 67 -3.539 -18.548 -8.720 1.00 14.51 H new ATOM 1066 N ASP A 68 -1.738 -16.824 -12.184 1.00 55.33 N ATOM 1067 CA ASP A 68 -0.853 -16.389 -13.259 1.00 30.44 C ATOM 1068 C ASP A 68 -1.438 -16.744 -14.622 1.00 53.00 C ATOM 1069 O ASP A 68 -1.220 -16.037 -15.606 1.00 65.30 O ATOM 1070 CB ASP A 68 0.527 -17.029 -13.100 1.00 44.44 C ATOM 1071 CG ASP A 68 0.498 -18.530 -13.309 1.00 15.00 C ATOM 1072 OD1 ASP A 68 0.153 -19.255 -12.352 1.00 44.32 O ATOM 1073 OD2 ASP A 68 0.819 -18.980 -14.429 1.00 22.33 O ATOM 0 H ASP A 68 -1.313 -17.478 -11.526 1.00 55.33 H new ATOM 0 HA ASP A 68 -0.753 -15.305 -13.199 1.00 30.44 H new ATOM 0 HB2 ASP A 68 1.217 -16.579 -13.814 1.00 44.44 H new ATOM 0 HB3 ASP A 68 0.912 -16.811 -12.104 1.00 44.44 H new ATOM 1078 N VAL A 69 -2.183 -17.844 -14.673 1.00 23.11 N ATOM 1079 CA VAL A 69 -2.800 -18.293 -15.915 1.00 44.04 C ATOM 1080 C VAL A 69 -3.902 -17.337 -16.358 1.00 63.32 C ATOM 1081 O VAL A 69 -3.940 -16.910 -17.512 1.00 74.02 O ATOM 1082 CB VAL A 69 -3.390 -19.708 -15.770 1.00 31.04 C ATOM 1083 CG1 VAL A 69 -4.110 -20.120 -17.044 1.00 72.25 C ATOM 1084 CG2 VAL A 69 -2.298 -20.707 -15.417 1.00 52.14 C ATOM 0 H VAL A 69 -2.374 -18.441 -13.868 1.00 23.11 H new ATOM 0 HA VAL A 69 -2.014 -18.312 -16.670 1.00 44.04 H new ATOM 0 HB VAL A 69 -4.117 -19.698 -14.958 1.00 31.04 H new ATOM 0 HG11 VAL A 69 -4.520 -21.123 -16.922 1.00 72.25 H new ATOM 0 HG12 VAL A 69 -4.920 -19.419 -17.247 1.00 72.25 H new ATOM 0 HG13 VAL A 69 -3.407 -20.114 -17.877 1.00 72.25 H new ATOM 0 HG21 VAL A 69 -2.733 -21.702 -15.318 1.00 52.14 H new ATOM 0 HG22 VAL A 69 -1.545 -20.717 -16.205 1.00 52.14 H new ATOM 0 HG23 VAL A 69 -1.833 -20.419 -14.474 1.00 52.14 H new ATOM 1094 N ASP A 70 -4.796 -17.005 -15.434 1.00 20.43 N ATOM 1095 CA ASP A 70 -5.899 -16.098 -15.728 1.00 32.22 C ATOM 1096 C ASP A 70 -5.378 -14.730 -16.156 1.00 52.12 C ATOM 1097 O ASP A 70 -5.899 -14.120 -17.090 1.00 62.45 O ATOM 1098 CB ASP A 70 -6.807 -15.952 -14.506 1.00 32.23 C ATOM 1099 CG ASP A 70 -8.278 -16.010 -14.867 1.00 54.44 C ATOM 1100 OD1 ASP A 70 -8.691 -15.278 -15.792 1.00 35.22 O ATOM 1101 OD2 ASP A 70 -9.017 -16.786 -14.227 1.00 24.54 O ATOM 0 H ASP A 70 -4.779 -17.350 -14.474 1.00 20.43 H new ATOM 0 HA ASP A 70 -6.475 -16.521 -16.551 1.00 32.22 H new ATOM 0 HB2 ASP A 70 -6.580 -16.743 -13.792 1.00 32.23 H new ATOM 0 HB3 ASP A 70 -6.595 -15.005 -14.010 1.00 32.23 H new ATOM 1106 N VAL A 71 -4.348 -14.252 -15.466 1.00 25.11 N ATOM 1107 CA VAL A 71 -3.756 -12.956 -15.775 1.00 3.14 C ATOM 1108 C VAL A 71 -3.117 -12.959 -17.159 1.00 23.13 C ATOM 1109 O VAL A 71 -3.329 -12.043 -17.952 1.00 45.15 O ATOM 1110 CB VAL A 71 -2.693 -12.561 -14.732 1.00 33.24 C ATOM 1111 CG1 VAL A 71 -1.956 -11.305 -15.169 1.00 51.22 C ATOM 1112 CG2 VAL A 71 -3.335 -12.365 -13.366 1.00 41.44 C ATOM 0 H VAL A 71 -3.906 -14.743 -14.689 1.00 25.11 H new ATOM 0 HA VAL A 71 -4.565 -12.226 -15.753 1.00 3.14 H new ATOM 0 HB VAL A 71 -1.967 -13.370 -14.655 1.00 33.24 H new ATOM 0 HG11 VAL A 71 -1.209 -11.042 -14.420 1.00 51.22 H new ATOM 0 HG12 VAL A 71 -1.463 -11.486 -16.124 1.00 51.22 H new ATOM 0 HG13 VAL A 71 -2.666 -10.485 -15.277 1.00 51.22 H new ATOM 0 HG21 VAL A 71 -2.570 -12.086 -12.641 1.00 41.44 H new ATOM 0 HG22 VAL A 71 -4.083 -11.575 -13.426 1.00 41.44 H new ATOM 0 HG23 VAL A 71 -3.812 -13.293 -13.052 1.00 41.44 H new ATOM 1122 N GLN A 72 -2.334 -13.996 -17.441 1.00 13.12 N ATOM 1123 CA GLN A 72 -1.664 -14.118 -18.730 1.00 1.11 C ATOM 1124 C GLN A 72 -2.678 -14.165 -19.868 1.00 43.44 C ATOM 1125 O GLN A 72 -2.462 -13.580 -20.929 1.00 3.21 O ATOM 1126 CB GLN A 72 -0.790 -15.373 -18.757 1.00 73.33 C ATOM 1127 CG GLN A 72 -0.234 -15.697 -20.134 1.00 62.24 C ATOM 1128 CD GLN A 72 -0.796 -16.985 -20.703 1.00 30.21 C ATOM 1129 OE1 GLN A 72 -1.101 -17.922 -19.964 1.00 65.45 O ATOM 1130 NE2 GLN A 72 -0.937 -17.038 -22.022 1.00 71.42 N ATOM 0 H GLN A 72 -2.148 -14.763 -16.795 1.00 13.12 H new ATOM 0 HA GLN A 72 -1.032 -13.241 -18.867 1.00 1.11 H new ATOM 0 HB2 GLN A 72 0.039 -15.244 -18.061 1.00 73.33 H new ATOM 0 HB3 GLN A 72 -1.375 -16.221 -18.402 1.00 73.33 H new ATOM 0 HG2 GLN A 72 -0.458 -14.876 -20.814 1.00 62.24 H new ATOM 0 HG3 GLN A 72 0.852 -15.774 -20.074 1.00 62.24 H new ATOM 0 HE21 GLN A 72 -0.671 -16.238 -22.596 1.00 71.42 H new ATOM 0 HE22 GLN A 72 -1.311 -17.879 -22.462 1.00 71.42 H new ATOM 1139 N ASN A 73 -3.784 -14.865 -19.641 1.00 12.24 N ATOM 1140 CA ASN A 73 -4.831 -14.989 -20.648 1.00 53.41 C ATOM 1141 C ASN A 73 -5.521 -13.648 -20.883 1.00 35.31 C ATOM 1142 O ASN A 73 -5.826 -13.286 -22.019 1.00 41.14 O ATOM 1143 CB ASN A 73 -5.860 -16.036 -20.218 1.00 72.33 C ATOM 1144 CG ASN A 73 -7.191 -15.864 -20.925 1.00 1.43 C ATOM 1145 OD1 ASN A 73 -7.355 -16.277 -22.073 1.00 12.33 O ATOM 1146 ND2 ASN A 73 -8.149 -15.250 -20.240 1.00 20.24 N ATOM 0 H ASN A 73 -3.979 -15.355 -18.768 1.00 12.24 H new ATOM 0 HA ASN A 73 -4.367 -15.308 -21.581 1.00 53.41 H new ATOM 0 HB2 ASN A 73 -5.468 -17.032 -20.424 1.00 72.33 H new ATOM 0 HB3 ASN A 73 -6.013 -15.970 -19.141 1.00 72.33 H new ATOM 0 HD21 ASN A 73 -9.065 -15.104 -20.663 1.00 20.24 H new ATOM 0 HD22 ASN A 73 -7.968 -14.924 -19.291 1.00 20.24 H new ATOM 1153 N ASP A 74 -5.765 -12.917 -19.801 1.00 4.11 N ATOM 1154 CA ASP A 74 -6.417 -11.616 -19.888 1.00 52.35 C ATOM 1155 C ASP A 74 -5.574 -10.638 -20.701 1.00 63.42 C ATOM 1156 O ASP A 74 -6.063 -10.013 -21.642 1.00 71.10 O ATOM 1157 CB ASP A 74 -6.667 -11.052 -18.489 1.00 11.50 C ATOM 1158 CG ASP A 74 -7.783 -10.025 -18.469 1.00 63.23 C ATOM 1159 OD1 ASP A 74 -8.560 -9.975 -19.446 1.00 12.55 O ATOM 1160 OD2 ASP A 74 -7.879 -9.273 -17.477 1.00 61.12 O ATOM 0 H ASP A 74 -5.521 -13.204 -18.853 1.00 4.11 H new ATOM 0 HA ASP A 74 -7.373 -11.750 -20.393 1.00 52.35 H new ATOM 0 HB2 ASP A 74 -6.916 -11.868 -17.811 1.00 11.50 H new ATOM 0 HB3 ASP A 74 -5.750 -10.595 -18.115 1.00 11.50 H new ATOM 1165 N VAL A 75 -4.303 -10.511 -20.331 1.00 54.11 N ATOM 1166 CA VAL A 75 -3.392 -9.610 -21.025 1.00 45.24 C ATOM 1167 C VAL A 75 -3.217 -10.020 -22.483 1.00 73.23 C ATOM 1168 O VAL A 75 -3.144 -9.173 -23.373 1.00 32.02 O ATOM 1169 CB VAL A 75 -2.010 -9.575 -20.345 1.00 13.13 C ATOM 1170 CG1 VAL A 75 -2.115 -8.966 -18.955 1.00 21.12 C ATOM 1171 CG2 VAL A 75 -1.413 -10.973 -20.280 1.00 13.40 C ATOM 0 H VAL A 75 -3.882 -11.021 -19.555 1.00 54.11 H new ATOM 0 HA VAL A 75 -3.837 -8.616 -20.981 1.00 45.24 H new ATOM 0 HB VAL A 75 -1.346 -8.949 -20.941 1.00 13.13 H new ATOM 0 HG11 VAL A 75 -1.129 -8.949 -18.490 1.00 21.12 H new ATOM 0 HG12 VAL A 75 -2.497 -7.948 -19.032 1.00 21.12 H new ATOM 0 HG13 VAL A 75 -2.794 -9.564 -18.346 1.00 21.12 H new ATOM 0 HG21 VAL A 75 -0.437 -10.930 -19.797 1.00 13.40 H new ATOM 0 HG22 VAL A 75 -2.073 -11.624 -19.707 1.00 13.40 H new ATOM 0 HG23 VAL A 75 -1.301 -11.368 -21.290 1.00 13.40 H new ATOM 1181 N ALA A 76 -3.152 -11.326 -22.721 1.00 21.22 N ATOM 1182 CA ALA A 76 -2.989 -11.850 -24.071 1.00 41.23 C ATOM 1183 C ALA A 76 -4.156 -11.441 -24.963 1.00 52.02 C ATOM 1184 O ALA A 76 -3.961 -11.031 -26.108 1.00 13.04 O ATOM 1185 CB ALA A 76 -2.854 -13.365 -24.037 1.00 44.12 C ATOM 0 H ALA A 76 -3.210 -12.041 -21.996 1.00 21.22 H new ATOM 0 HA ALA A 76 -2.078 -11.425 -24.491 1.00 41.23 H new ATOM 0 HB1 ALA A 76 -2.733 -13.742 -25.052 1.00 44.12 H new ATOM 0 HB2 ALA A 76 -1.983 -13.639 -23.442 1.00 44.12 H new ATOM 0 HB3 ALA A 76 -3.749 -13.800 -23.593 1.00 44.12 H new ATOM 1191 N ARG A 77 -5.369 -11.556 -24.432 1.00 51.03 N ATOM 1192 CA ARG A 77 -6.568 -11.200 -25.182 1.00 0.04 C ATOM 1193 C ARG A 77 -6.592 -9.706 -25.492 1.00 22.15 C ATOM 1194 O ARG A 77 -6.891 -9.300 -26.614 1.00 0.21 O ATOM 1195 CB ARG A 77 -7.821 -11.589 -24.395 1.00 11.51 C ATOM 1196 CG ARG A 77 -8.714 -12.581 -25.122 1.00 45.12 C ATOM 1197 CD ARG A 77 -8.170 -13.998 -25.020 1.00 40.54 C ATOM 1198 NE ARG A 77 -9.150 -14.992 -25.449 1.00 11.12 N ATOM 1199 CZ ARG A 77 -8.837 -16.243 -25.768 1.00 45.54 C ATOM 1200 NH1 ARG A 77 -7.576 -16.650 -25.708 1.00 12.33 N ATOM 1201 NH2 ARG A 77 -9.785 -17.089 -26.149 1.00 41.11 N ATOM 0 H ARG A 77 -5.548 -11.893 -23.486 1.00 51.03 H new ATOM 0 HA ARG A 77 -6.554 -11.748 -26.124 1.00 0.04 H new ATOM 0 HB2 ARG A 77 -7.521 -12.017 -23.439 1.00 11.51 H new ATOM 0 HB3 ARG A 77 -8.396 -10.689 -24.175 1.00 11.51 H new ATOM 0 HG2 ARG A 77 -9.719 -12.544 -24.701 1.00 45.12 H new ATOM 0 HG3 ARG A 77 -8.797 -12.297 -26.171 1.00 45.12 H new ATOM 0 HD2 ARG A 77 -7.272 -14.087 -25.632 1.00 40.54 H new ATOM 0 HD3 ARG A 77 -7.875 -14.200 -23.990 1.00 40.54 H new ATOM 0 HE ARG A 77 -10.129 -14.710 -25.507 1.00 11.12 H new ATOM 0 HH11 ARG A 77 -6.844 -16.002 -25.416 1.00 12.33 H new ATOM 0 HH12 ARG A 77 -7.338 -17.611 -25.953 1.00 12.33 H new ATOM 0 HH21 ARG A 77 -10.756 -16.779 -26.197 1.00 41.11 H new ATOM 0 HH22 ARG A 77 -9.543 -18.049 -26.394 1.00 41.11 H new ATOM 1215 N MET A 78 -6.275 -8.894 -24.488 1.00 40.24 N ATOM 1216 CA MET A 78 -6.260 -7.445 -24.654 1.00 65.15 C ATOM 1217 C MET A 78 -5.268 -7.033 -25.737 1.00 44.54 C ATOM 1218 O MET A 78 -5.556 -6.158 -26.555 1.00 44.00 O ATOM 1219 CB MET A 78 -5.902 -6.763 -23.333 1.00 15.43 C ATOM 1220 CG MET A 78 -6.712 -7.268 -22.150 1.00 31.14 C ATOM 1221 SD MET A 78 -7.630 -5.954 -21.324 1.00 4.05 S ATOM 1222 CE MET A 78 -9.009 -6.876 -20.650 1.00 74.20 C ATOM 0 H MET A 78 -6.025 -9.214 -23.552 1.00 40.24 H new ATOM 0 HA MET A 78 -7.257 -7.129 -24.959 1.00 65.15 H new ATOM 0 HB2 MET A 78 -4.842 -6.917 -23.130 1.00 15.43 H new ATOM 0 HB3 MET A 78 -6.054 -5.689 -23.435 1.00 15.43 H new ATOM 0 HG2 MET A 78 -7.409 -8.033 -22.492 1.00 31.14 H new ATOM 0 HG3 MET A 78 -6.043 -7.744 -21.433 1.00 31.14 H new ATOM 0 HE1 MET A 78 -9.780 -6.183 -20.313 1.00 74.20 H new ATOM 0 HE2 MET A 78 -9.420 -7.530 -21.419 1.00 74.20 H new ATOM 0 HE3 MET A 78 -8.668 -7.477 -19.807 1.00 74.20 H new ATOM 1232 N ILE A 79 -4.100 -7.667 -25.737 1.00 10.34 N ATOM 1233 CA ILE A 79 -3.067 -7.365 -26.720 1.00 21.33 C ATOM 1234 C ILE A 79 -3.498 -7.792 -28.119 1.00 30.23 C ATOM 1235 O ILE A 79 -3.248 -7.091 -29.099 1.00 44.44 O ATOM 1236 CB ILE A 79 -1.737 -8.060 -26.370 1.00 54.22 C ATOM 1237 CG1 ILE A 79 -1.246 -7.606 -24.994 1.00 34.42 C ATOM 1238 CG2 ILE A 79 -0.691 -7.767 -27.435 1.00 1.11 C ATOM 1239 CD1 ILE A 79 -0.446 -8.660 -24.261 1.00 1.24 C ATOM 0 H ILE A 79 -3.846 -8.393 -25.067 1.00 10.34 H new ATOM 0 HA ILE A 79 -2.919 -6.285 -26.702 1.00 21.33 H new ATOM 0 HB ILE A 79 -1.903 -9.137 -26.338 1.00 54.22 H new ATOM 0 HG12 ILE A 79 -0.633 -6.713 -25.112 1.00 34.42 H new ATOM 0 HG13 ILE A 79 -2.105 -7.324 -24.385 1.00 34.42 H new ATOM 0 HG21 ILE A 79 0.243 -8.265 -27.174 1.00 1.11 H new ATOM 0 HG22 ILE A 79 -1.041 -8.135 -28.400 1.00 1.11 H new ATOM 0 HG23 ILE A 79 -0.525 -6.691 -27.495 1.00 1.11 H new ATOM 0 HD11 ILE A 79 -0.130 -8.270 -23.293 1.00 1.24 H new ATOM 0 HD12 ILE A 79 -1.063 -9.546 -24.111 1.00 1.24 H new ATOM 0 HD13 ILE A 79 0.432 -8.925 -24.850 1.00 1.24 H new ATOM 1251 N THR A 80 -4.150 -8.948 -28.204 1.00 51.45 N ATOM 1252 CA THR A 80 -4.617 -9.468 -29.483 1.00 33.51 C ATOM 1253 C THR A 80 -5.630 -8.526 -30.123 1.00 60.25 C ATOM 1254 O THR A 80 -5.546 -8.225 -31.313 1.00 64.33 O ATOM 1255 CB THR A 80 -5.258 -10.860 -29.322 1.00 51.03 C ATOM 1256 OG1 THR A 80 -4.325 -11.762 -28.717 1.00 12.13 O ATOM 1257 CG2 THR A 80 -5.702 -11.410 -30.669 1.00 62.23 C ATOM 0 H THR A 80 -4.366 -9.541 -27.403 1.00 51.45 H new ATOM 0 HA THR A 80 -3.743 -9.550 -30.129 1.00 33.51 H new ATOM 0 HB THR A 80 -6.134 -10.760 -28.681 1.00 51.03 H new ATOM 0 HG1 THR A 80 -4.161 -11.490 -27.790 1.00 12.13 H new ATOM 0 HG21 THR A 80 -6.151 -12.393 -30.530 1.00 62.23 H new ATOM 0 HG22 THR A 80 -6.434 -10.736 -31.114 1.00 62.23 H new ATOM 0 HG23 THR A 80 -4.839 -11.495 -31.329 1.00 62.23 H new ATOM 1265 N ASN A 81 -6.587 -8.063 -29.326 1.00 51.21 N ATOM 1266 CA ASN A 81 -7.617 -7.154 -29.816 1.00 44.43 C ATOM 1267 C ASN A 81 -7.028 -5.780 -30.124 1.00 62.34 C ATOM 1268 O ASN A 81 -7.443 -5.114 -31.072 1.00 13.13 O ATOM 1269 CB ASN A 81 -8.740 -7.020 -28.787 1.00 14.34 C ATOM 1270 CG ASN A 81 -8.613 -5.760 -27.952 1.00 23.11 C ATOM 1271 OD1 ASN A 81 -8.055 -5.783 -26.855 1.00 20.24 O ATOM 1272 ND2 ASN A 81 -9.131 -4.652 -28.470 1.00 22.44 N ATOM 0 H ASN A 81 -6.671 -8.302 -28.338 1.00 51.21 H new ATOM 0 HA ASN A 81 -8.025 -7.570 -30.737 1.00 44.43 H new ATOM 0 HB2 ASN A 81 -9.701 -7.016 -29.301 1.00 14.34 H new ATOM 0 HB3 ASN A 81 -8.733 -7.890 -28.130 1.00 14.34 H new ATOM 0 HD21 ASN A 81 -9.075 -3.774 -27.955 1.00 22.44 H new ATOM 0 HD22 ASN A 81 -9.585 -4.680 -29.383 1.00 22.44 H new ATOM 1279 N ALA A 82 -6.057 -5.364 -29.317 1.00 72.25 N ATOM 1280 CA ALA A 82 -5.409 -4.072 -29.505 1.00 72.11 C ATOM 1281 C ALA A 82 -4.693 -4.007 -30.850 1.00 22.33 C ATOM 1282 O ALA A 82 -4.777 -3.006 -31.562 1.00 71.01 O ATOM 1283 CB ALA A 82 -4.432 -3.802 -28.371 1.00 21.14 C ATOM 0 H ALA A 82 -5.702 -5.903 -28.527 1.00 72.25 H new ATOM 0 HA ALA A 82 -6.180 -3.302 -29.496 1.00 72.11 H new ATOM 0 HB1 ALA A 82 -3.955 -2.834 -28.524 1.00 21.14 H new ATOM 0 HB2 ALA A 82 -4.968 -3.796 -27.422 1.00 21.14 H new ATOM 0 HB3 ALA A 82 -3.671 -4.582 -28.353 1.00 21.14 H new ATOM 1289 N LEU A 83 -3.987 -5.080 -31.191 1.00 75.01 N ATOM 1290 CA LEU A 83 -3.255 -5.145 -32.451 1.00 50.10 C ATOM 1291 C LEU A 83 -4.198 -5.435 -33.615 1.00 3.14 C ATOM 1292 O LEU A 83 -3.966 -4.991 -34.739 1.00 23.15 O ATOM 1293 CB LEU A 83 -2.170 -6.221 -32.378 1.00 73.02 C ATOM 1294 CG LEU A 83 -1.657 -6.749 -33.719 1.00 14.25 C ATOM 1295 CD1 LEU A 83 -0.184 -7.113 -33.620 1.00 51.24 C ATOM 1296 CD2 LEU A 83 -2.477 -7.950 -34.167 1.00 43.05 C ATOM 0 H LEU A 83 -3.906 -5.916 -30.613 1.00 75.01 H new ATOM 0 HA LEU A 83 -2.786 -4.176 -32.621 1.00 50.10 H new ATOM 0 HB2 LEU A 83 -1.324 -5.818 -31.821 1.00 73.02 H new ATOM 0 HB3 LEU A 83 -2.558 -7.062 -31.804 1.00 73.02 H new ATOM 0 HG LEU A 83 -1.766 -5.962 -34.465 1.00 14.25 H new ATOM 0 HD11 LEU A 83 0.164 -7.487 -34.583 1.00 51.24 H new ATOM 0 HD12 LEU A 83 0.391 -6.229 -33.344 1.00 51.24 H new ATOM 0 HD13 LEU A 83 -0.050 -7.884 -32.862 1.00 51.24 H new ATOM 0 HD21 LEU A 83 -2.099 -8.313 -35.123 1.00 43.05 H new ATOM 0 HD22 LEU A 83 -2.400 -8.742 -33.422 1.00 43.05 H new ATOM 0 HD23 LEU A 83 -3.521 -7.657 -34.278 1.00 43.05 H new ATOM 1308 N GLU A 84 -5.262 -6.181 -33.335 1.00 53.54 N ATOM 1309 CA GLU A 84 -6.241 -6.528 -34.359 1.00 45.15 C ATOM 1310 C GLU A 84 -7.058 -5.306 -34.768 1.00 1.30 C ATOM 1311 O GLU A 84 -7.227 -5.027 -35.955 1.00 44.23 O ATOM 1312 CB GLU A 84 -7.172 -7.632 -33.853 1.00 45.34 C ATOM 1313 CG GLU A 84 -8.419 -7.813 -34.702 1.00 42.42 C ATOM 1314 CD GLU A 84 -9.308 -8.934 -34.201 1.00 62.21 C ATOM 1315 OE1 GLU A 84 -9.256 -9.236 -32.990 1.00 44.32 O ATOM 1316 OE2 GLU A 84 -10.055 -9.510 -35.019 1.00 20.31 O ATOM 0 H GLU A 84 -5.468 -6.556 -32.409 1.00 53.54 H new ATOM 0 HA GLU A 84 -5.701 -6.891 -35.233 1.00 45.15 H new ATOM 0 HB2 GLU A 84 -6.623 -8.573 -33.823 1.00 45.34 H new ATOM 0 HB3 GLU A 84 -7.469 -7.404 -32.829 1.00 45.34 H new ATOM 0 HG2 GLU A 84 -8.986 -6.882 -34.712 1.00 42.42 H new ATOM 0 HG3 GLU A 84 -8.126 -8.019 -35.732 1.00 42.42 H new ATOM 1323 N TYR A 85 -7.563 -4.581 -33.776 1.00 73.11 N ATOM 1324 CA TYR A 85 -8.366 -3.391 -34.031 1.00 45.40 C ATOM 1325 C TYR A 85 -7.499 -2.253 -34.561 1.00 44.35 C ATOM 1326 O TYR A 85 -7.997 -1.316 -35.183 1.00 53.25 O ATOM 1327 CB TYR A 85 -9.081 -2.949 -32.753 1.00 42.32 C ATOM 1328 CG TYR A 85 -9.731 -1.588 -32.863 1.00 30.11 C ATOM 1329 CD1 TYR A 85 -10.770 -1.363 -33.758 1.00 21.22 C ATOM 1330 CD2 TYR A 85 -9.306 -0.527 -32.073 1.00 32.34 C ATOM 1331 CE1 TYR A 85 -11.367 -0.122 -33.862 1.00 43.41 C ATOM 1332 CE2 TYR A 85 -9.898 0.717 -32.169 1.00 51.11 C ATOM 1333 CZ TYR A 85 -10.928 0.915 -33.065 1.00 44.13 C ATOM 1334 OH TYR A 85 -11.519 2.154 -33.165 1.00 61.34 O ATOM 0 H TYR A 85 -7.430 -4.797 -32.788 1.00 73.11 H new ATOM 0 HA TYR A 85 -9.110 -3.641 -34.788 1.00 45.40 H new ATOM 0 HB2 TYR A 85 -9.842 -3.687 -32.499 1.00 42.32 H new ATOM 0 HB3 TYR A 85 -8.364 -2.935 -31.932 1.00 42.32 H new ATOM 0 HD1 TYR A 85 -11.117 -2.173 -34.383 1.00 21.22 H new ATOM 0 HD2 TYR A 85 -8.499 -0.678 -31.372 1.00 32.34 H new ATOM 0 HE1 TYR A 85 -12.173 0.036 -34.563 1.00 43.41 H new ATOM 0 HE2 TYR A 85 -9.556 1.530 -31.546 1.00 51.11 H new ATOM 0 HH TYR A 85 -11.093 2.771 -32.534 1.00 61.34 H new ATOM 1344 N ASN A 86 -6.197 -2.343 -34.311 1.00 24.24 N ATOM 1345 CA ASN A 86 -5.258 -1.322 -34.762 1.00 74.13 C ATOM 1346 C ASN A 86 -4.621 -1.718 -36.091 1.00 31.43 C ATOM 1347 O ASN A 86 -3.791 -0.990 -36.634 1.00 75.14 O ATOM 1348 CB ASN A 86 -4.171 -1.097 -33.709 1.00 54.14 C ATOM 1349 CG ASN A 86 -4.694 -0.369 -32.486 1.00 4.21 C ATOM 1350 OD1 ASN A 86 -5.892 -0.388 -32.203 1.00 4.41 O ATOM 1351 ND2 ASN A 86 -3.794 0.278 -31.754 1.00 30.23 N ATOM 0 H ASN A 86 -5.768 -3.113 -33.798 1.00 24.24 H new ATOM 0 HA ASN A 86 -5.811 -0.394 -34.907 1.00 74.13 H new ATOM 0 HB2 ASN A 86 -3.757 -2.059 -33.407 1.00 54.14 H new ATOM 0 HB3 ASN A 86 -3.356 -0.523 -34.149 1.00 54.14 H new ATOM 0 HD21 ASN A 86 -4.086 0.786 -30.919 1.00 30.23 H new ATOM 0 HD22 ASN A 86 -2.811 0.266 -32.027 1.00 30.23 H new ATOM 1358 N ALA A 87 -5.016 -2.877 -36.608 1.00 23.45 N ATOM 1359 CA ALA A 87 -4.486 -3.369 -37.873 1.00 65.50 C ATOM 1360 C ALA A 87 -4.968 -2.514 -39.040 1.00 21.51 C ATOM 1361 O ALA A 87 -6.084 -2.687 -39.530 1.00 61.44 O ATOM 1362 CB ALA A 87 -4.883 -4.823 -38.082 1.00 25.41 C ATOM 0 H ALA A 87 -5.701 -3.492 -36.170 1.00 23.45 H new ATOM 0 HA ALA A 87 -3.399 -3.303 -37.833 1.00 65.50 H new ATOM 0 HB1 ALA A 87 -4.480 -5.177 -39.031 1.00 25.41 H new ATOM 0 HB2 ALA A 87 -4.484 -5.430 -37.269 1.00 25.41 H new ATOM 0 HB3 ALA A 87 -5.970 -4.905 -38.096 1.00 25.41 H new ATOM 1368 N LYS A 88 -4.121 -1.591 -39.480 1.00 45.43 N ATOM 1369 CA LYS A 88 -4.459 -0.708 -40.590 1.00 73.04 C ATOM 1370 C LYS A 88 -3.586 -1.002 -41.806 1.00 23.34 C ATOM 1371 O LYS A 88 -4.043 -1.594 -42.782 1.00 71.14 O ATOM 1372 CB LYS A 88 -4.296 0.755 -40.174 1.00 5.44 C ATOM 1373 CG LYS A 88 -4.444 1.736 -41.324 1.00 61.32 C ATOM 1374 CD LYS A 88 -5.089 3.035 -40.870 1.00 65.33 C ATOM 1375 CE LYS A 88 -5.953 3.640 -41.965 1.00 50.35 C ATOM 1376 NZ LYS A 88 -5.883 5.128 -41.969 1.00 22.23 N ATOM 0 H LYS A 88 -3.194 -1.434 -39.085 1.00 45.43 H new ATOM 0 HA LYS A 88 -5.500 -0.889 -40.860 1.00 73.04 H new ATOM 0 HB2 LYS A 88 -5.036 0.991 -39.409 1.00 5.44 H new ATOM 0 HB3 LYS A 88 -3.314 0.887 -39.719 1.00 5.44 H new ATOM 0 HG2 LYS A 88 -3.464 1.946 -41.753 1.00 61.32 H new ATOM 0 HG3 LYS A 88 -5.047 1.285 -42.112 1.00 61.32 H new ATOM 0 HD2 LYS A 88 -5.698 2.850 -39.985 1.00 65.33 H new ATOM 0 HD3 LYS A 88 -4.315 3.746 -40.582 1.00 65.33 H new ATOM 0 HE2 LYS A 88 -5.631 3.259 -42.934 1.00 50.35 H new ATOM 0 HE3 LYS A 88 -6.987 3.326 -41.827 1.00 50.35 H new ATOM 0 HZ1 LYS A 88 -6.486 5.502 -42.730 1.00 22.23 H new ATOM 0 HZ2 LYS A 88 -6.214 5.494 -41.054 1.00 22.23 H new ATOM 0 HZ3 LYS A 88 -4.900 5.429 -42.127 1.00 22.23 H new ATOM 1390 N GLY A 89 -2.325 -0.586 -41.737 1.00 43.04 N ATOM 1391 CA GLY A 89 -1.407 -0.816 -42.838 1.00 51.50 C ATOM 1392 C GLY A 89 -0.327 0.244 -42.923 1.00 4.23 C ATOM 1393 O GLY A 89 -0.380 1.127 -43.778 1.00 44.54 O ATOM 0 H GLY A 89 -1.923 -0.094 -40.939 1.00 43.04 H new ATOM 0 HA2 GLY A 89 -0.942 -1.795 -42.721 1.00 51.50 H new ATOM 0 HA3 GLY A 89 -1.965 -0.838 -43.774 1.00 51.50 H new ATOM 1397 N SER A 90 0.656 0.158 -42.032 1.00 30.23 N ATOM 1398 CA SER A 90 1.751 1.120 -42.006 1.00 1.32 C ATOM 1399 C SER A 90 2.746 0.781 -40.900 1.00 0.51 C ATOM 1400 O SER A 90 2.679 -0.289 -40.294 1.00 44.31 O ATOM 1401 CB SER A 90 1.209 2.536 -41.803 1.00 52.42 C ATOM 1402 OG SER A 90 1.770 3.437 -42.742 1.00 63.24 O ATOM 0 H SER A 90 0.716 -0.568 -41.319 1.00 30.23 H new ATOM 0 HA SER A 90 2.268 1.070 -42.964 1.00 1.32 H new ATOM 0 HB2 SER A 90 0.124 2.531 -41.903 1.00 52.42 H new ATOM 0 HB3 SER A 90 1.434 2.873 -40.791 1.00 52.42 H new ATOM 0 HG SER A 90 1.406 4.334 -42.592 1.00 63.24 H new ATOM 1408 N THR A 91 3.670 1.702 -40.641 1.00 60.23 N ATOM 1409 CA THR A 91 4.680 1.502 -39.610 1.00 63.10 C ATOM 1410 C THR A 91 4.040 1.128 -38.278 1.00 71.32 C ATOM 1411 O THR A 91 4.619 0.382 -37.488 1.00 42.51 O ATOM 1412 CB THR A 91 5.542 2.764 -39.416 1.00 21.32 C ATOM 1413 OG1 THR A 91 5.439 3.609 -40.567 1.00 2.22 O ATOM 1414 CG2 THR A 91 6.999 2.393 -39.181 1.00 53.20 C ATOM 0 H THR A 91 3.739 2.594 -41.132 1.00 60.23 H new ATOM 0 HA THR A 91 5.317 0.684 -39.946 1.00 63.10 H new ATOM 0 HB THR A 91 5.174 3.298 -38.540 1.00 21.32 H new ATOM 0 HG1 THR A 91 5.988 4.410 -40.435 1.00 2.22 H new ATOM 0 HG21 THR A 91 7.588 3.300 -39.047 1.00 53.20 H new ATOM 0 HG22 THR A 91 7.077 1.774 -38.287 1.00 53.20 H new ATOM 0 HG23 THR A 91 7.377 1.839 -40.040 1.00 53.20 H new ATOM 1422 N TRP A 92 2.842 1.649 -38.036 1.00 65.42 N ATOM 1423 CA TRP A 92 2.123 1.368 -36.799 1.00 21.12 C ATOM 1424 C TRP A 92 1.826 -0.122 -36.668 1.00 1.22 C ATOM 1425 O TRP A 92 1.940 -0.694 -35.584 1.00 31.04 O ATOM 1426 CB TRP A 92 0.820 2.167 -36.750 1.00 74.32 C ATOM 1427 CG TRP A 92 0.899 3.380 -35.875 1.00 0.54 C ATOM 1428 CD1 TRP A 92 0.086 3.685 -34.820 1.00 64.10 C ATOM 1429 CD2 TRP A 92 1.842 4.453 -35.980 1.00 30.33 C ATOM 1430 NE1 TRP A 92 0.467 4.882 -34.263 1.00 65.12 N ATOM 1431 CE2 TRP A 92 1.543 5.373 -34.956 1.00 35.42 C ATOM 1432 CE3 TRP A 92 2.911 4.724 -36.837 1.00 42.35 C ATOM 1433 CZ2 TRP A 92 2.274 6.543 -34.770 1.00 34.23 C ATOM 1434 CZ3 TRP A 92 3.636 5.886 -36.652 1.00 14.33 C ATOM 1435 CH2 TRP A 92 3.315 6.784 -35.624 1.00 60.52 C ATOM 0 H TRP A 92 2.349 2.268 -38.680 1.00 65.42 H new ATOM 0 HA TRP A 92 2.756 1.667 -35.964 1.00 21.12 H new ATOM 0 HB2 TRP A 92 0.553 2.474 -37.761 1.00 74.32 H new ATOM 0 HB3 TRP A 92 0.019 1.521 -36.391 1.00 74.32 H new ATOM 0 HD1 TRP A 92 -0.735 3.075 -34.475 1.00 64.10 H new ATOM 0 HE1 TRP A 92 0.021 5.332 -33.464 1.00 65.12 H new ATOM 0 HE3 TRP A 92 3.167 4.037 -37.631 1.00 42.35 H new ATOM 0 HZ2 TRP A 92 2.028 7.236 -33.979 1.00 34.23 H new ATOM 0 HZ3 TRP A 92 4.464 6.106 -37.310 1.00 14.33 H new ATOM 0 HH2 TRP A 92 3.901 7.683 -35.504 1.00 60.52 H new ATOM 1446 N TYR A 93 1.445 -0.744 -37.778 1.00 24.54 N ATOM 1447 CA TYR A 93 1.130 -2.168 -37.786 1.00 31.05 C ATOM 1448 C TYR A 93 2.336 -2.996 -37.353 1.00 44.23 C ATOM 1449 O TYR A 93 2.221 -3.890 -36.515 1.00 54.44 O ATOM 1450 CB TYR A 93 0.672 -2.603 -39.179 1.00 11.43 C ATOM 1451 CG TYR A 93 0.166 -4.026 -39.233 1.00 61.51 C ATOM 1452 CD1 TYR A 93 -0.679 -4.522 -38.248 1.00 32.11 C ATOM 1453 CD2 TYR A 93 0.534 -4.876 -40.269 1.00 30.42 C ATOM 1454 CE1 TYR A 93 -1.143 -5.823 -38.293 1.00 13.51 C ATOM 1455 CE2 TYR A 93 0.073 -6.178 -40.323 1.00 5.43 C ATOM 1456 CZ TYR A 93 -0.765 -6.646 -39.332 1.00 64.14 C ATOM 1457 OH TYR A 93 -1.224 -7.942 -39.382 1.00 33.22 O ATOM 0 H TYR A 93 1.347 -0.285 -38.684 1.00 24.54 H new ATOM 0 HA TYR A 93 0.321 -2.339 -37.075 1.00 31.05 H new ATOM 0 HB2 TYR A 93 -0.117 -1.932 -39.519 1.00 11.43 H new ATOM 0 HB3 TYR A 93 1.503 -2.495 -39.876 1.00 11.43 H new ATOM 0 HD1 TYR A 93 -0.978 -3.880 -37.433 1.00 32.11 H new ATOM 0 HD2 TYR A 93 1.191 -4.513 -41.045 1.00 30.42 H new ATOM 0 HE1 TYR A 93 -1.798 -6.193 -37.518 1.00 13.51 H new ATOM 0 HE2 TYR A 93 0.367 -6.825 -41.136 1.00 5.43 H new ATOM 0 HH TYR A 93 -0.865 -8.386 -40.178 1.00 33.22 H new ATOM 1467 N GLN A 94 3.493 -2.690 -37.931 1.00 44.15 N ATOM 1468 CA GLN A 94 4.722 -3.405 -37.607 1.00 32.14 C ATOM 1469 C GLN A 94 5.118 -3.173 -36.152 1.00 62.43 C ATOM 1470 O GLN A 94 5.578 -4.089 -35.472 1.00 25.43 O ATOM 1471 CB GLN A 94 5.855 -2.962 -38.533 1.00 42.04 C ATOM 1472 CG GLN A 94 6.270 -4.025 -39.538 1.00 40.43 C ATOM 1473 CD GLN A 94 7.432 -3.584 -40.407 1.00 30.52 C ATOM 1474 OE1 GLN A 94 8.032 -2.534 -40.176 1.00 31.33 O ATOM 1475 NE2 GLN A 94 7.756 -4.387 -41.413 1.00 64.45 N ATOM 0 H GLN A 94 3.605 -1.952 -38.626 1.00 44.15 H new ATOM 0 HA GLN A 94 4.542 -4.470 -37.751 1.00 32.14 H new ATOM 0 HB2 GLN A 94 5.544 -2.067 -39.071 1.00 42.04 H new ATOM 0 HB3 GLN A 94 6.720 -2.687 -37.929 1.00 42.04 H new ATOM 0 HG2 GLN A 94 6.544 -4.936 -39.006 1.00 40.43 H new ATOM 0 HG3 GLN A 94 5.419 -4.271 -40.173 1.00 40.43 H new ATOM 0 HE21 GLN A 94 7.231 -5.248 -41.568 1.00 64.45 H new ATOM 0 HE22 GLN A 94 8.530 -4.143 -42.031 1.00 64.45 H new ATOM 1484 N GLU A 95 4.937 -1.943 -35.683 1.00 55.23 N ATOM 1485 CA GLU A 95 5.277 -1.592 -34.310 1.00 11.44 C ATOM 1486 C GLU A 95 4.463 -2.419 -33.319 1.00 24.42 C ATOM 1487 O GLU A 95 5.005 -2.965 -32.358 1.00 12.44 O ATOM 1488 CB GLU A 95 5.034 -0.101 -34.066 1.00 0.33 C ATOM 1489 CG GLU A 95 5.085 0.292 -32.599 1.00 11.32 C ATOM 1490 CD GLU A 95 6.164 -0.448 -31.834 1.00 25.24 C ATOM 1491 OE1 GLU A 95 7.259 -0.652 -32.400 1.00 74.13 O ATOM 1492 OE2 GLU A 95 5.916 -0.824 -30.669 1.00 54.30 O ATOM 0 H GLU A 95 4.557 -1.173 -36.234 1.00 55.23 H new ATOM 0 HA GLU A 95 6.334 -1.811 -34.158 1.00 11.44 H new ATOM 0 HB2 GLU A 95 5.780 0.475 -34.614 1.00 0.33 H new ATOM 0 HB3 GLU A 95 4.060 0.171 -34.473 1.00 0.33 H new ATOM 0 HG2 GLU A 95 5.260 1.365 -32.520 1.00 11.32 H new ATOM 0 HG3 GLU A 95 4.117 0.092 -32.139 1.00 11.32 H new ATOM 1499 N ALA A 96 3.160 -2.508 -33.561 1.00 14.31 N ATOM 1500 CA ALA A 96 2.271 -3.269 -32.692 1.00 22.41 C ATOM 1501 C ALA A 96 2.563 -4.763 -32.782 1.00 72.44 C ATOM 1502 O ALA A 96 2.485 -5.482 -31.786 1.00 43.32 O ATOM 1503 CB ALA A 96 0.818 -2.991 -33.048 1.00 3.22 C ATOM 0 H ALA A 96 2.696 -2.062 -34.352 1.00 14.31 H new ATOM 0 HA ALA A 96 2.448 -2.951 -31.665 1.00 22.41 H new ATOM 0 HB1 ALA A 96 0.166 -3.566 -32.391 1.00 3.22 H new ATOM 0 HB2 ALA A 96 0.610 -1.928 -32.925 1.00 3.22 H new ATOM 0 HB3 ALA A 96 0.635 -3.279 -34.083 1.00 3.22 H new ATOM 1509 N MET A 97 2.898 -5.225 -33.983 1.00 14.40 N ATOM 1510 CA MET A 97 3.201 -6.634 -34.202 1.00 43.14 C ATOM 1511 C MET A 97 4.516 -7.018 -33.530 1.00 54.02 C ATOM 1512 O MET A 97 4.622 -8.079 -32.915 1.00 63.04 O ATOM 1513 CB MET A 97 3.274 -6.935 -35.701 1.00 3.33 C ATOM 1514 CG MET A 97 3.079 -8.404 -36.036 1.00 33.43 C ATOM 1515 SD MET A 97 2.674 -8.673 -37.772 1.00 61.12 S ATOM 1516 CE MET A 97 1.899 -10.286 -37.694 1.00 12.25 C ATOM 0 H MET A 97 2.966 -4.644 -34.819 1.00 14.40 H new ATOM 0 HA MET A 97 2.400 -7.226 -33.758 1.00 43.14 H new ATOM 0 HB2 MET A 97 2.514 -6.349 -36.218 1.00 3.33 H new ATOM 0 HB3 MET A 97 4.242 -6.609 -36.082 1.00 3.33 H new ATOM 0 HG2 MET A 97 3.988 -8.952 -35.790 1.00 33.43 H new ATOM 0 HG3 MET A 97 2.282 -8.812 -35.414 1.00 33.43 H new ATOM 0 HE1 MET A 97 1.592 -10.591 -38.694 1.00 12.25 H new ATOM 0 HE2 MET A 97 2.608 -11.011 -37.295 1.00 12.25 H new ATOM 0 HE3 MET A 97 1.024 -10.238 -37.045 1.00 12.25 H new ATOM 1526 N SER A 98 5.514 -6.149 -33.652 1.00 14.51 N ATOM 1527 CA SER A 98 6.822 -6.399 -33.059 1.00 62.13 C ATOM 1528 C SER A 98 6.743 -6.373 -31.536 1.00 33.51 C ATOM 1529 O SER A 98 7.343 -7.207 -30.857 1.00 71.23 O ATOM 1530 CB SER A 98 7.833 -5.359 -33.546 1.00 65.41 C ATOM 1531 OG SER A 98 9.156 -5.735 -33.203 1.00 1.43 O ATOM 0 H SER A 98 5.442 -5.265 -34.156 1.00 14.51 H new ATOM 0 HA SER A 98 7.151 -7.390 -33.371 1.00 62.13 H new ATOM 0 HB2 SER A 98 7.752 -5.247 -34.627 1.00 65.41 H new ATOM 0 HB3 SER A 98 7.602 -4.389 -33.107 1.00 65.41 H new ATOM 0 HG SER A 98 9.784 -5.055 -33.526 1.00 1.43 H new ATOM 1537 N PHE A 99 5.997 -5.410 -31.005 1.00 22.12 N ATOM 1538 CA PHE A 99 5.839 -5.274 -29.562 1.00 11.34 C ATOM 1539 C PHE A 99 5.018 -6.428 -28.993 1.00 44.30 C ATOM 1540 O PHE A 99 5.276 -6.901 -27.886 1.00 44.50 O ATOM 1541 CB PHE A 99 5.167 -3.941 -29.225 1.00 1.24 C ATOM 1542 CG PHE A 99 6.089 -2.954 -28.567 1.00 21.30 C ATOM 1543 CD1 PHE A 99 7.368 -2.747 -29.058 1.00 61.52 C ATOM 1544 CD2 PHE A 99 5.677 -2.233 -27.458 1.00 32.30 C ATOM 1545 CE1 PHE A 99 8.219 -1.841 -28.454 1.00 53.23 C ATOM 1546 CE2 PHE A 99 6.523 -1.325 -26.850 1.00 52.11 C ATOM 1547 CZ PHE A 99 7.795 -1.128 -27.350 1.00 2.23 C ATOM 0 H PHE A 99 5.493 -4.713 -31.552 1.00 22.12 H new ATOM 0 HA PHE A 99 6.830 -5.299 -29.109 1.00 11.34 H new ATOM 0 HB2 PHE A 99 4.771 -3.501 -30.140 1.00 1.24 H new ATOM 0 HB3 PHE A 99 4.318 -4.127 -28.567 1.00 1.24 H new ATOM 0 HD1 PHE A 99 7.704 -3.300 -29.923 1.00 61.52 H new ATOM 0 HD2 PHE A 99 4.683 -2.382 -27.064 1.00 32.30 H new ATOM 0 HE1 PHE A 99 9.214 -1.691 -28.845 1.00 53.23 H new ATOM 0 HE2 PHE A 99 6.190 -0.770 -25.985 1.00 52.11 H new ATOM 0 HZ PHE A 99 8.457 -0.417 -26.878 1.00 2.23 H new ATOM 1557 N ARG A 100 4.029 -6.876 -29.759 1.00 15.55 N ATOM 1558 CA ARG A 100 3.169 -7.973 -29.331 1.00 54.52 C ATOM 1559 C ARG A 100 3.993 -9.215 -29.008 1.00 72.42 C ATOM 1560 O ARG A 100 3.567 -10.072 -28.233 1.00 4.23 O ATOM 1561 CB ARG A 100 2.142 -8.297 -30.418 1.00 14.34 C ATOM 1562 CG ARG A 100 1.137 -9.361 -30.008 1.00 12.01 C ATOM 1563 CD ARG A 100 1.504 -10.722 -30.578 1.00 35.21 C ATOM 1564 NE ARG A 100 0.470 -11.721 -30.318 1.00 23.03 N ATOM 1565 CZ ARG A 100 0.475 -12.939 -30.848 1.00 40.34 C ATOM 1566 NH1 ARG A 100 1.454 -13.306 -31.664 1.00 31.44 N ATOM 1567 NH2 ARG A 100 -0.501 -13.792 -30.563 1.00 43.35 N ATOM 0 H ARG A 100 3.803 -6.497 -30.679 1.00 15.55 H new ATOM 0 HA ARG A 100 2.646 -7.661 -28.427 1.00 54.52 H new ATOM 0 HB2 ARG A 100 1.606 -7.386 -30.683 1.00 14.34 H new ATOM 0 HB3 ARG A 100 2.666 -8.630 -31.314 1.00 14.34 H new ATOM 0 HG2 ARG A 100 1.092 -9.421 -28.921 1.00 12.01 H new ATOM 0 HG3 ARG A 100 0.143 -9.077 -30.353 1.00 12.01 H new ATOM 0 HD2 ARG A 100 1.661 -10.634 -31.653 1.00 35.21 H new ATOM 0 HD3 ARG A 100 2.447 -11.055 -30.144 1.00 35.21 H new ATOM 0 HE ARG A 100 -0.298 -11.469 -29.695 1.00 23.03 H new ATOM 0 HH11 ARG A 100 2.205 -12.652 -31.886 1.00 31.44 H new ATOM 0 HH12 ARG A 100 1.456 -14.242 -32.070 1.00 31.44 H new ATOM 0 HH21 ARG A 100 -1.256 -13.512 -29.937 1.00 43.35 H new ATOM 0 HH22 ARG A 100 -0.496 -14.727 -30.971 1.00 43.35 H new ATOM 1581 N LYS A 101 5.174 -9.308 -29.609 1.00 4.22 N ATOM 1582 CA LYS A 101 6.060 -10.445 -29.386 1.00 12.43 C ATOM 1583 C LYS A 101 6.715 -10.362 -28.011 1.00 22.32 C ATOM 1584 O LYS A 101 7.170 -11.369 -27.466 1.00 73.13 O ATOM 1585 CB LYS A 101 7.136 -10.500 -30.473 1.00 34.53 C ATOM 1586 CG LYS A 101 6.595 -10.859 -31.846 1.00 33.41 C ATOM 1587 CD LYS A 101 7.563 -10.463 -32.948 1.00 11.33 C ATOM 1588 CE LYS A 101 8.624 -11.530 -33.168 1.00 42.30 C ATOM 1589 NZ LYS A 101 8.101 -12.678 -33.959 1.00 52.42 N ATOM 0 H LYS A 101 5.540 -8.609 -30.255 1.00 4.22 H new ATOM 0 HA LYS A 101 5.461 -11.355 -29.430 1.00 12.43 H new ATOM 0 HB2 LYS A 101 7.633 -9.532 -30.529 1.00 34.53 H new ATOM 0 HB3 LYS A 101 7.892 -11.231 -30.187 1.00 34.53 H new ATOM 0 HG2 LYS A 101 6.406 -11.931 -31.895 1.00 33.41 H new ATOM 0 HG3 LYS A 101 5.639 -10.359 -32.003 1.00 33.41 H new ATOM 0 HD2 LYS A 101 7.013 -10.299 -33.875 1.00 11.33 H new ATOM 0 HD3 LYS A 101 8.043 -9.519 -32.690 1.00 11.33 H new ATOM 0 HE2 LYS A 101 9.478 -11.092 -33.685 1.00 42.30 H new ATOM 0 HE3 LYS A 101 8.985 -11.888 -32.204 1.00 42.30 H new ATOM 0 HZ1 LYS A 101 8.622 -13.541 -33.705 1.00 52.42 H new ATOM 0 HZ2 LYS A 101 7.090 -12.810 -33.752 1.00 52.42 H new ATOM 0 HZ3 LYS A 101 8.224 -12.485 -34.974 1.00 52.42 H new ATOM 1603 N THR A 102 6.760 -9.156 -27.453 1.00 33.55 N ATOM 1604 CA THR A 102 7.359 -8.943 -26.141 1.00 51.03 C ATOM 1605 C THR A 102 6.306 -8.545 -25.114 1.00 14.23 C ATOM 1606 O THR A 102 6.587 -8.476 -23.917 1.00 33.10 O ATOM 1607 CB THR A 102 8.448 -7.855 -26.192 1.00 12.34 C ATOM 1608 OG1 THR A 102 9.083 -7.738 -24.914 1.00 24.12 O ATOM 1609 CG2 THR A 102 7.854 -6.513 -26.592 1.00 53.15 C ATOM 0 H THR A 102 6.389 -8.312 -27.889 1.00 33.55 H new ATOM 0 HA THR A 102 7.813 -9.888 -25.843 1.00 51.03 H new ATOM 0 HB THR A 102 9.186 -8.146 -26.940 1.00 12.34 H new ATOM 0 HG1 THR A 102 8.479 -8.070 -24.217 1.00 24.12 H new ATOM 0 HG21 THR A 102 8.642 -5.760 -26.621 1.00 53.15 H new ATOM 0 HG22 THR A 102 7.396 -6.597 -27.577 1.00 53.15 H new ATOM 0 HG23 THR A 102 7.098 -6.218 -25.864 1.00 53.15 H new ATOM 1617 N TYR A 103 5.093 -8.284 -25.588 1.00 15.02 N ATOM 1618 CA TYR A 103 3.997 -7.891 -24.710 1.00 0.34 C ATOM 1619 C TYR A 103 3.623 -9.027 -23.763 1.00 21.03 C ATOM 1620 O TYR A 103 3.596 -8.852 -22.544 1.00 10.03 O ATOM 1621 CB TYR A 103 2.777 -7.477 -25.535 1.00 22.52 C ATOM 1622 CG TYR A 103 2.125 -6.201 -25.053 1.00 74.44 C ATOM 1623 CD1 TYR A 103 1.745 -6.050 -23.726 1.00 10.24 C ATOM 1624 CD2 TYR A 103 1.888 -5.147 -25.927 1.00 5.43 C ATOM 1625 CE1 TYR A 103 1.148 -4.886 -23.282 1.00 13.12 C ATOM 1626 CE2 TYR A 103 1.293 -3.978 -25.491 1.00 61.44 C ATOM 1627 CZ TYR A 103 0.924 -3.853 -24.168 1.00 61.13 C ATOM 1628 OH TYR A 103 0.331 -2.692 -23.730 1.00 13.42 O ATOM 0 H TYR A 103 4.844 -8.337 -26.576 1.00 15.02 H new ATOM 0 HA TYR A 103 4.330 -7.041 -24.115 1.00 0.34 H new ATOM 0 HB2 TYR A 103 3.078 -7.351 -26.575 1.00 22.52 H new ATOM 0 HB3 TYR A 103 2.042 -8.282 -25.511 1.00 22.52 H new ATOM 0 HD1 TYR A 103 1.919 -6.856 -23.029 1.00 10.24 H new ATOM 0 HD2 TYR A 103 2.173 -5.243 -26.964 1.00 5.43 H new ATOM 0 HE1 TYR A 103 0.858 -4.785 -22.246 1.00 13.12 H new ATOM 0 HE2 TYR A 103 1.118 -3.167 -26.182 1.00 61.44 H new ATOM 0 HH TYR A 103 -0.216 -2.312 -24.449 1.00 13.42 H new ATOM 1638 N LEU A 104 3.336 -10.192 -24.332 1.00 60.41 N ATOM 1639 CA LEU A 104 2.964 -11.360 -23.540 1.00 41.23 C ATOM 1640 C LEU A 104 4.168 -11.911 -22.784 1.00 5.34 C ATOM 1641 O LEU A 104 4.055 -12.317 -21.627 1.00 74.31 O ATOM 1642 CB LEU A 104 2.374 -12.445 -24.442 1.00 71.21 C ATOM 1643 CG LEU A 104 3.170 -12.774 -25.706 1.00 32.24 C ATOM 1644 CD1 LEU A 104 3.537 -14.250 -25.736 1.00 53.33 C ATOM 1645 CD2 LEU A 104 2.379 -12.393 -26.949 1.00 33.55 C ATOM 0 H LEU A 104 3.354 -10.354 -25.339 1.00 60.41 H new ATOM 0 HA LEU A 104 2.212 -11.051 -22.814 1.00 41.23 H new ATOM 0 HB2 LEU A 104 2.267 -13.358 -23.856 1.00 71.21 H new ATOM 0 HB3 LEU A 104 1.371 -12.137 -24.738 1.00 71.21 H new ATOM 0 HG LEU A 104 4.091 -12.192 -25.694 1.00 32.24 H new ATOM 0 HD11 LEU A 104 4.103 -14.466 -26.642 1.00 53.33 H new ATOM 0 HD12 LEU A 104 4.143 -14.492 -24.863 1.00 53.33 H new ATOM 0 HD13 LEU A 104 2.628 -14.851 -25.724 1.00 53.33 H new ATOM 0 HD21 LEU A 104 2.961 -12.634 -27.839 1.00 33.55 H new ATOM 0 HD22 LEU A 104 1.441 -12.948 -26.968 1.00 33.55 H new ATOM 0 HD23 LEU A 104 2.168 -11.324 -26.932 1.00 33.55 H new ATOM 1657 N ASP A 105 5.322 -11.919 -23.443 1.00 74.01 N ATOM 1658 CA ASP A 105 6.548 -12.417 -22.832 1.00 4.22 C ATOM 1659 C ASP A 105 6.864 -11.655 -21.548 1.00 50.14 C ATOM 1660 O ASP A 105 7.124 -12.256 -20.505 1.00 14.31 O ATOM 1661 CB ASP A 105 7.717 -12.296 -23.811 1.00 71.44 C ATOM 1662 CG ASP A 105 8.300 -13.645 -24.185 1.00 42.12 C ATOM 1663 OD1 ASP A 105 8.701 -14.393 -23.269 1.00 4.21 O ATOM 1664 OD2 ASP A 105 8.355 -13.953 -25.394 1.00 53.30 O ATOM 0 H ASP A 105 5.433 -11.586 -24.401 1.00 74.01 H new ATOM 0 HA ASP A 105 6.399 -13.468 -22.583 1.00 4.22 H new ATOM 0 HB2 ASP A 105 7.380 -11.786 -24.714 1.00 71.44 H new ATOM 0 HB3 ASP A 105 8.497 -11.677 -23.367 1.00 71.44 H new ATOM 1669 N LEU A 106 6.841 -10.329 -21.633 1.00 31.44 N ATOM 1670 CA LEU A 106 7.126 -9.484 -20.478 1.00 35.30 C ATOM 1671 C LEU A 106 6.046 -9.639 -19.411 1.00 44.51 C ATOM 1672 O LEU A 106 6.277 -9.358 -18.235 1.00 44.35 O ATOM 1673 CB LEU A 106 7.229 -8.020 -20.907 1.00 5.45 C ATOM 1674 CG LEU A 106 8.141 -7.135 -20.056 1.00 43.51 C ATOM 1675 CD1 LEU A 106 9.563 -7.673 -20.060 1.00 64.43 C ATOM 1676 CD2 LEU A 106 8.112 -5.699 -20.559 1.00 54.35 C ATOM 0 H LEU A 106 6.628 -9.816 -22.489 1.00 31.44 H new ATOM 0 HA LEU A 106 8.079 -9.800 -20.053 1.00 35.30 H new ATOM 0 HB2 LEU A 106 7.583 -7.988 -21.937 1.00 5.45 H new ATOM 0 HB3 LEU A 106 6.228 -7.589 -20.900 1.00 5.45 H new ATOM 0 HG LEU A 106 7.772 -7.148 -19.030 1.00 43.51 H new ATOM 0 HD11 LEU A 106 10.197 -7.030 -19.449 1.00 64.43 H new ATOM 0 HD12 LEU A 106 9.571 -8.684 -19.652 1.00 64.43 H new ATOM 0 HD13 LEU A 106 9.942 -7.691 -21.082 1.00 64.43 H new ATOM 0 HD21 LEU A 106 8.767 -5.084 -19.942 1.00 54.35 H new ATOM 0 HD22 LEU A 106 8.455 -5.669 -21.593 1.00 54.35 H new ATOM 0 HD23 LEU A 106 7.094 -5.314 -20.503 1.00 54.35 H new ATOM 1688 N ALA A 107 4.868 -10.089 -19.829 1.00 50.44 N ATOM 1689 CA ALA A 107 3.755 -10.284 -18.909 1.00 74.53 C ATOM 1690 C ALA A 107 3.431 -11.766 -18.747 1.00 12.33 C ATOM 1691 O ALA A 107 2.274 -12.173 -18.851 1.00 14.24 O ATOM 1692 CB ALA A 107 2.529 -9.524 -19.394 1.00 60.55 C ATOM 0 H ALA A 107 4.660 -10.325 -20.799 1.00 50.44 H new ATOM 0 HA ALA A 107 4.048 -9.894 -17.935 1.00 74.53 H new ATOM 0 HB1 ALA A 107 1.706 -9.679 -18.697 1.00 60.55 H new ATOM 0 HB2 ALA A 107 2.760 -8.460 -19.452 1.00 60.55 H new ATOM 0 HB3 ALA A 107 2.242 -9.888 -20.381 1.00 60.55 H new ATOM 1698 N ARG A 108 4.460 -12.567 -18.492 1.00 70.11 N ATOM 1699 CA ARG A 108 4.285 -14.004 -18.317 1.00 55.13 C ATOM 1700 C ARG A 108 5.601 -14.669 -17.925 1.00 12.41 C ATOM 1701 O ARG A 108 5.639 -15.508 -17.026 1.00 33.11 O ATOM 1702 CB ARG A 108 3.746 -14.634 -19.603 1.00 42.33 C ATOM 1703 CG ARG A 108 3.506 -16.130 -19.494 1.00 73.51 C ATOM 1704 CD ARG A 108 2.625 -16.468 -18.301 1.00 51.42 C ATOM 1705 NE ARG A 108 1.773 -17.626 -18.559 1.00 44.45 N ATOM 1706 CZ ARG A 108 2.238 -18.862 -18.702 1.00 53.03 C ATOM 1707 NH1 ARG A 108 3.539 -19.100 -18.612 1.00 51.40 N ATOM 1708 NH2 ARG A 108 1.400 -19.864 -18.936 1.00 15.15 N ATOM 0 H ARG A 108 5.424 -12.245 -18.402 1.00 70.11 H new ATOM 0 HA ARG A 108 3.565 -14.161 -17.514 1.00 55.13 H new ATOM 0 HB2 ARG A 108 2.811 -14.143 -19.874 1.00 42.33 H new ATOM 0 HB3 ARG A 108 4.451 -14.446 -20.413 1.00 42.33 H new ATOM 0 HG2 ARG A 108 3.036 -16.492 -20.409 1.00 73.51 H new ATOM 0 HG3 ARG A 108 4.461 -16.647 -19.400 1.00 73.51 H new ATOM 0 HD2 ARG A 108 3.252 -16.666 -17.432 1.00 51.42 H new ATOM 0 HD3 ARG A 108 2.002 -15.608 -18.055 1.00 51.42 H new ATOM 0 HE ARG A 108 0.767 -17.478 -18.633 1.00 44.45 H new ATOM 0 HH11 ARG A 108 4.187 -18.333 -18.432 1.00 51.40 H new ATOM 0 HH12 ARG A 108 3.892 -20.050 -18.722 1.00 51.40 H new ATOM 0 HH21 ARG A 108 0.398 -19.685 -19.006 1.00 15.15 H new ATOM 0 HH22 ARG A 108 1.758 -20.813 -19.046 1.00 15.15 H new ATOM 1722 N GLN A 109 6.676 -14.287 -18.606 1.00 5.11 N ATOM 1723 CA GLN A 109 7.994 -14.847 -18.329 1.00 31.21 C ATOM 1724 C GLN A 109 8.530 -14.343 -16.993 1.00 41.33 C ATOM 1725 O GLN A 109 9.220 -15.068 -16.277 1.00 2.54 O ATOM 1726 CB GLN A 109 8.970 -14.490 -19.451 1.00 54.05 C ATOM 1727 CG GLN A 109 10.417 -14.821 -19.127 1.00 64.13 C ATOM 1728 CD GLN A 109 11.370 -14.418 -20.235 1.00 44.22 C ATOM 1729 OE1 GLN A 109 12.225 -13.551 -20.050 1.00 12.31 O ATOM 1730 NE2 GLN A 109 11.229 -15.047 -21.396 1.00 51.42 N ATOM 0 H GLN A 109 6.661 -13.593 -19.353 1.00 5.11 H new ATOM 0 HA GLN A 109 7.896 -15.931 -18.275 1.00 31.21 H new ATOM 0 HB2 GLN A 109 8.679 -15.021 -20.357 1.00 54.05 H new ATOM 0 HB3 GLN A 109 8.889 -13.424 -19.666 1.00 54.05 H new ATOM 0 HG2 GLN A 109 10.704 -14.316 -18.205 1.00 64.13 H new ATOM 0 HG3 GLN A 109 10.509 -15.892 -18.945 1.00 64.13 H new ATOM 0 HE21 GLN A 109 10.507 -15.759 -21.506 1.00 51.42 H new ATOM 0 HE22 GLN A 109 11.843 -14.818 -22.178 1.00 51.42 H new ATOM 1739 N SER A 110 8.208 -13.095 -16.665 1.00 64.41 N ATOM 1740 CA SER A 110 8.661 -12.492 -15.417 1.00 65.32 C ATOM 1741 C SER A 110 7.543 -12.485 -14.380 1.00 14.40 C ATOM 1742 O SER A 110 7.783 -12.274 -13.192 1.00 45.11 O ATOM 1743 CB SER A 110 9.153 -11.065 -15.665 1.00 15.31 C ATOM 1744 OG SER A 110 10.558 -11.033 -15.844 1.00 51.31 O ATOM 0 H SER A 110 7.636 -12.483 -17.246 1.00 64.41 H new ATOM 0 HA SER A 110 9.486 -13.091 -15.031 1.00 65.32 H new ATOM 0 HB2 SER A 110 8.662 -10.656 -16.548 1.00 15.31 H new ATOM 0 HB3 SER A 110 8.876 -10.430 -14.823 1.00 15.31 H new ATOM 0 HG SER A 110 10.847 -10.110 -16.003 1.00 51.31 H new ATOM 1750 N GLY A 111 6.316 -12.716 -14.839 1.00 65.23 N ATOM 1751 CA GLY A 111 5.178 -12.732 -13.940 1.00 11.43 C ATOM 1752 C GLY A 111 5.220 -13.896 -12.971 1.00 24.44 C ATOM 1753 O GLY A 111 4.902 -15.028 -13.336 1.00 24.13 O ATOM 0 H GLY A 111 6.091 -12.892 -15.818 1.00 65.23 H new ATOM 0 HA2 GLY A 111 5.149 -11.798 -13.379 1.00 11.43 H new ATOM 0 HA3 GLY A 111 4.259 -12.782 -14.524 1.00 11.43 H new TER 1757 GLY A 111