USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 HIS : no HD1:sc= -2.35 K(o=-1.7,f=-5.8!) USER MOD Set 1.2: A 113 CYS SG : rot 49:sc= 0.688 USER MOD Set 2.1: A 17 GLN : amide:sc= 0.271 K(o=1.6,f=0.89) USER MOD Set 2.2: A 40 ASN : amide:sc= 1.32 K(o=1.6,f=-0.72) USER MOD Set 3.1: A 34 THR OG1 : rot -30:sc= 1.08 USER MOD Set 3.2: A 90 LYS NZ :NH3+ 137:sc= 0.518 (180deg=-0.263) USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.0675) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -160:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0928 K(o=-0.093,f=-0.7) USER MOD Single : A 24 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : A 26 GLN : amide:sc= -0.82 K(o=-0.82,f=-1.9) USER MOD Single : A 30 THR OG1 : rot -165:sc= -1.11 USER MOD Single : A 32 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.16) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.524 K(o=-0.52,f=-7.1!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -85:sc= 0.205 USER MOD Single : A 72 SER OG : rot -91:sc= 1.32 USER MOD Single : A 77 GLN : amide:sc= -0.782 K(o=-0.78,f=0.37) USER MOD Single : A 78 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 83 MET CE :methyl -153:sc= -0.384 (180deg=-1.88) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0904) USER MOD Single : A 98 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.22) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= -0.0115 (180deg=-0.176) USER MOD Single : A 119 SER OG : rot 180:sc= -0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.650 -1.394 27.990 1.00 43.21 N ATOM 2 CA MET A 1 -2.313 -1.070 27.446 1.00 50.22 C ATOM 3 C MET A 1 -2.249 -1.405 25.964 1.00 14.33 C ATOM 4 O MET A 1 -2.175 -2.575 25.584 1.00 34.21 O ATOM 5 CB MET A 1 -1.221 -1.844 28.191 1.00 25.41 C ATOM 6 CG MET A 1 0.178 -1.591 27.651 1.00 3.40 C ATOM 7 SD MET A 1 1.423 -2.655 28.412 1.00 4.41 S ATOM 8 CE MET A 1 2.911 -2.069 27.603 1.00 33.24 C ATOM 0 H1 MET A 1 -3.679 -1.160 29.003 1.00 43.21 H new ATOM 0 H2 MET A 1 -4.373 -0.841 27.486 1.00 43.21 H new ATOM 0 H3 MET A 1 -3.840 -2.409 27.864 1.00 43.21 H new ATOM 0 HA MET A 1 -2.145 -0.002 27.582 1.00 50.22 H new ATOM 0 HB2 MET A 1 -1.249 -1.572 29.246 1.00 25.41 H new ATOM 0 HB3 MET A 1 -1.438 -2.911 28.131 1.00 25.41 H new ATOM 0 HG2 MET A 1 0.181 -1.750 26.573 1.00 3.40 H new ATOM 0 HG3 MET A 1 0.445 -0.548 27.820 1.00 3.40 H new ATOM 0 HE1 MET A 1 3.679 -2.841 27.650 1.00 33.24 H new ATOM 0 HE2 MET A 1 2.692 -1.839 26.560 1.00 33.24 H new ATOM 0 HE3 MET A 1 3.268 -1.170 28.106 1.00 33.24 H new ATOM 20 N VAL A 2 -2.287 -0.385 25.129 1.00 63.53 N ATOM 21 CA VAL A 2 -2.153 -0.584 23.702 1.00 33.13 C ATOM 22 C VAL A 2 -0.703 -0.356 23.281 1.00 74.15 C ATOM 23 O VAL A 2 -0.243 0.773 23.129 1.00 33.32 O ATOM 24 CB VAL A 2 -3.129 0.308 22.893 1.00 12.21 C ATOM 25 CG1 VAL A 2 -2.982 1.782 23.254 1.00 61.31 C ATOM 26 CG2 VAL A 2 -2.941 0.093 21.396 1.00 61.45 C ATOM 0 H VAL A 2 -2.409 0.587 25.414 1.00 63.53 H new ATOM 0 HA VAL A 2 -2.425 -1.615 23.477 1.00 33.13 H new ATOM 0 HB VAL A 2 -4.143 0.009 23.160 1.00 12.21 H new ATOM 0 HG11 VAL A 2 -3.684 2.373 22.665 1.00 61.31 H new ATOM 0 HG12 VAL A 2 -3.193 1.920 24.315 1.00 61.31 H new ATOM 0 HG13 VAL A 2 -1.964 2.109 23.041 1.00 61.31 H new ATOM 0 HG21 VAL A 2 -3.636 0.729 20.847 1.00 61.45 H new ATOM 0 HG22 VAL A 2 -1.918 0.348 21.117 1.00 61.45 H new ATOM 0 HG23 VAL A 2 -3.134 -0.951 21.151 1.00 61.45 H new ATOM 36 N LYS A 3 0.022 -1.453 23.140 1.00 12.43 N ATOM 37 CA LYS A 3 1.439 -1.404 22.805 1.00 10.10 C ATOM 38 C LYS A 3 1.631 -1.272 21.302 1.00 32.12 C ATOM 39 O LYS A 3 2.713 -0.931 20.827 1.00 53.05 O ATOM 40 CB LYS A 3 2.140 -2.662 23.315 1.00 61.11 C ATOM 41 CG LYS A 3 1.445 -3.952 22.904 1.00 60.31 C ATOM 42 CD LYS A 3 2.194 -5.172 23.410 1.00 25.23 C ATOM 43 CE LYS A 3 3.566 -5.291 22.765 1.00 13.12 C ATOM 44 NZ LYS A 3 4.378 -6.363 23.390 1.00 34.31 N ATOM 0 H LYS A 3 -0.349 -2.396 23.253 1.00 12.43 H new ATOM 0 HA LYS A 3 1.879 -0.530 23.286 1.00 10.10 H new ATOM 0 HB2 LYS A 3 3.164 -2.675 22.941 1.00 61.11 H new ATOM 0 HB3 LYS A 3 2.198 -2.620 24.403 1.00 61.11 H new ATOM 0 HG2 LYS A 3 0.428 -3.960 23.296 1.00 60.31 H new ATOM 0 HG3 LYS A 3 1.368 -3.995 21.818 1.00 60.31 H new ATOM 0 HD2 LYS A 3 2.304 -5.110 24.493 1.00 25.23 H new ATOM 0 HD3 LYS A 3 1.613 -6.070 23.200 1.00 25.23 H new ATOM 0 HE2 LYS A 3 3.451 -5.496 21.701 1.00 13.12 H new ATOM 0 HE3 LYS A 3 4.092 -4.340 22.851 1.00 13.12 H new ATOM 0 HZ1 LYS A 3 5.306 -6.413 22.923 1.00 34.31 H new ATOM 0 HZ2 LYS A 3 4.510 -6.154 24.400 1.00 34.31 H new ATOM 0 HZ3 LYS A 3 3.889 -7.275 23.286 1.00 34.31 H new ATOM 58 N LEU A 4 0.567 -1.551 20.564 1.00 23.33 N ATOM 59 CA LEU A 4 0.577 -1.426 19.116 1.00 51.14 C ATOM 60 C LEU A 4 0.529 0.051 18.722 1.00 62.44 C ATOM 61 O LEU A 4 0.894 0.428 17.607 1.00 61.31 O ATOM 62 CB LEU A 4 -0.612 -2.211 18.540 1.00 53.32 C ATOM 63 CG LEU A 4 -0.735 -2.243 17.016 1.00 73.35 C ATOM 64 CD1 LEU A 4 -1.329 -3.568 16.570 1.00 72.52 C ATOM 65 CD2 LEU A 4 -1.602 -1.097 16.525 1.00 25.35 C ATOM 0 H LEU A 4 -0.322 -1.868 20.950 1.00 23.33 H new ATOM 0 HA LEU A 4 1.496 -1.843 18.704 1.00 51.14 H new ATOM 0 HB2 LEU A 4 -0.548 -3.238 18.899 1.00 53.32 H new ATOM 0 HB3 LEU A 4 -1.530 -1.787 18.947 1.00 53.32 H new ATOM 0 HG LEU A 4 0.261 -2.134 16.587 1.00 73.35 H new ATOM 0 HD11 LEU A 4 -1.413 -3.582 15.483 1.00 72.52 H new ATOM 0 HD12 LEU A 4 -0.683 -4.384 16.894 1.00 72.52 H new ATOM 0 HD13 LEU A 4 -2.318 -3.690 17.012 1.00 72.52 H new ATOM 0 HD21 LEU A 4 -1.677 -1.137 15.438 1.00 25.35 H new ATOM 0 HD22 LEU A 4 -2.597 -1.181 16.961 1.00 25.35 H new ATOM 0 HD23 LEU A 4 -1.155 -0.149 16.823 1.00 25.35 H new ATOM 77 N ALA A 5 0.101 0.884 19.660 1.00 54.32 N ATOM 78 CA ALA A 5 0.028 2.317 19.445 1.00 51.34 C ATOM 79 C ALA A 5 0.915 3.036 20.450 1.00 42.31 C ATOM 80 O ALA A 5 1.597 2.395 21.249 1.00 42.11 O ATOM 81 CB ALA A 5 -1.412 2.801 19.562 1.00 25.11 C ATOM 0 H ALA A 5 -0.203 0.585 20.586 1.00 54.32 H new ATOM 0 HA ALA A 5 0.382 2.541 18.439 1.00 51.34 H new ATOM 0 HB1 ALA A 5 -1.448 3.878 19.398 1.00 25.11 H new ATOM 0 HB2 ALA A 5 -2.026 2.299 18.814 1.00 25.11 H new ATOM 0 HB3 ALA A 5 -1.793 2.573 20.557 1.00 25.11 H new ATOM 87 N PHE A 6 0.909 4.359 20.408 1.00 21.24 N ATOM 88 CA PHE A 6 1.705 5.151 21.331 1.00 12.45 C ATOM 89 C PHE A 6 0.838 6.200 22.013 1.00 71.34 C ATOM 90 O PHE A 6 0.116 6.942 21.348 1.00 62.10 O ATOM 91 CB PHE A 6 2.872 5.823 20.601 1.00 42.12 C ATOM 92 CG PHE A 6 3.816 4.847 19.958 1.00 71.21 C ATOM 93 CD1 PHE A 6 4.721 4.133 20.725 1.00 32.11 C ATOM 94 CD2 PHE A 6 3.794 4.640 18.588 1.00 61.02 C ATOM 95 CE1 PHE A 6 5.586 3.229 20.140 1.00 42.12 C ATOM 96 CE2 PHE A 6 4.657 3.738 17.995 1.00 50.13 C ATOM 97 CZ PHE A 6 5.552 3.030 18.773 1.00 22.43 C ATOM 0 H PHE A 6 0.361 4.907 19.744 1.00 21.24 H new ATOM 0 HA PHE A 6 2.112 4.484 22.091 1.00 12.45 H new ATOM 0 HB2 PHE A 6 2.476 6.491 19.836 1.00 42.12 H new ATOM 0 HB3 PHE A 6 3.426 6.440 21.308 1.00 42.12 H new ATOM 0 HD1 PHE A 6 4.751 4.285 21.794 1.00 32.11 H new ATOM 0 HD2 PHE A 6 3.094 5.190 17.976 1.00 61.02 H new ATOM 0 HE1 PHE A 6 6.287 2.679 20.750 1.00 42.12 H new ATOM 0 HE2 PHE A 6 4.632 3.587 16.926 1.00 50.13 H new ATOM 0 HZ PHE A 6 6.225 2.321 18.313 1.00 22.43 H new ATOM 107 N PRO A 7 0.886 6.256 23.351 1.00 43.43 N ATOM 108 CA PRO A 7 0.122 7.235 24.128 1.00 23.30 C ATOM 109 C PRO A 7 0.584 8.664 23.857 1.00 24.41 C ATOM 110 O PRO A 7 1.784 8.928 23.732 1.00 14.32 O ATOM 111 CB PRO A 7 0.406 6.842 25.582 1.00 3.24 C ATOM 112 CG PRO A 7 1.684 6.077 25.534 1.00 61.21 C ATOM 113 CD PRO A 7 1.684 5.365 24.212 1.00 11.21 C ATOM 0 HA PRO A 7 -0.938 7.223 23.875 1.00 23.30 H new ATOM 0 HB2 PRO A 7 0.497 7.723 26.218 1.00 3.24 H new ATOM 0 HB3 PRO A 7 -0.402 6.235 25.992 1.00 3.24 H new ATOM 0 HG2 PRO A 7 2.542 6.743 25.619 1.00 61.21 H new ATOM 0 HG3 PRO A 7 1.747 5.369 26.360 1.00 61.21 H new ATOM 0 HD2 PRO A 7 2.695 5.231 23.826 1.00 11.21 H new ATOM 0 HD3 PRO A 7 1.238 4.373 24.289 1.00 11.21 H new ATOM 121 N ARG A 8 -0.370 9.584 23.790 1.00 64.23 N ATOM 122 CA ARG A 8 -0.072 10.974 23.462 1.00 55.12 C ATOM 123 C ARG A 8 0.660 11.659 24.614 1.00 42.24 C ATOM 124 O ARG A 8 1.259 12.719 24.438 1.00 20.31 O ATOM 125 CB ARG A 8 -1.358 11.733 23.117 1.00 11.02 C ATOM 126 CG ARG A 8 -2.335 11.856 24.275 1.00 11.33 C ATOM 127 CD ARG A 8 -3.614 12.559 23.852 1.00 41.33 C ATOM 128 NE ARG A 8 -4.366 11.779 22.872 1.00 22.11 N ATOM 129 CZ ARG A 8 -5.157 12.309 21.939 1.00 21.15 C ATOM 130 NH1 ARG A 8 -5.272 13.625 21.829 1.00 15.01 N ATOM 131 NH2 ARG A 8 -5.830 11.516 21.112 1.00 3.11 N ATOM 0 H ARG A 8 -1.358 9.393 23.958 1.00 64.23 H new ATOM 0 HA ARG A 8 0.581 10.984 22.589 1.00 55.12 H new ATOM 0 HB2 ARG A 8 -1.095 12.732 22.769 1.00 11.02 H new ATOM 0 HB3 ARG A 8 -1.855 11.228 22.289 1.00 11.02 H new ATOM 0 HG2 ARG A 8 -2.574 10.864 24.658 1.00 11.33 H new ATOM 0 HG3 ARG A 8 -1.867 12.408 25.090 1.00 11.33 H new ATOM 0 HD2 ARG A 8 -4.237 12.738 24.728 1.00 41.33 H new ATOM 0 HD3 ARG A 8 -3.370 13.534 23.430 1.00 41.33 H new ATOM 0 HE ARG A 8 -4.280 10.763 22.904 1.00 22.11 H new ATOM 0 HH11 ARG A 8 -4.754 14.237 22.460 1.00 15.01 H new ATOM 0 HH12 ARG A 8 -5.878 14.026 21.114 1.00 15.01 H new ATOM 0 HH21 ARG A 8 -5.741 10.503 21.192 1.00 3.11 H new ATOM 0 HH22 ARG A 8 -6.436 11.920 20.398 1.00 3.11 H new ATOM 145 N GLU A 9 0.599 11.045 25.794 1.00 25.44 N ATOM 146 CA GLU A 9 1.330 11.534 26.960 1.00 22.43 C ATOM 147 C GLU A 9 2.835 11.420 26.730 1.00 22.21 C ATOM 148 O GLU A 9 3.629 12.127 27.353 1.00 62.14 O ATOM 149 CB GLU A 9 0.943 10.752 28.223 1.00 35.35 C ATOM 150 CG GLU A 9 -0.556 10.638 28.457 1.00 33.11 C ATOM 151 CD GLU A 9 -1.172 9.465 27.721 1.00 22.32 C ATOM 152 OE1 GLU A 9 -1.214 8.358 28.298 1.00 11.20 O ATOM 153 OE2 GLU A 9 -1.610 9.641 26.569 1.00 15.13 O ATOM 0 H GLU A 9 0.048 10.204 25.968 1.00 25.44 H new ATOM 0 HA GLU A 9 1.064 12.581 27.104 1.00 22.43 H new ATOM 0 HB2 GLU A 9 1.366 9.749 28.159 1.00 35.35 H new ATOM 0 HB3 GLU A 9 1.398 11.235 29.088 1.00 35.35 H new ATOM 0 HG2 GLU A 9 -0.747 10.533 29.525 1.00 33.11 H new ATOM 0 HG3 GLU A 9 -1.042 11.560 28.136 1.00 33.11 H new ATOM 160 N LEU A 10 3.220 10.522 25.834 1.00 43.30 N ATOM 161 CA LEU A 10 4.617 10.350 25.480 1.00 42.42 C ATOM 162 C LEU A 10 4.964 11.319 24.357 1.00 22.42 C ATOM 163 O LEU A 10 5.883 12.127 24.478 1.00 61.24 O ATOM 164 CB LEU A 10 4.872 8.896 25.052 1.00 72.10 C ATOM 165 CG LEU A 10 6.339 8.431 25.042 1.00 1.01 C ATOM 166 CD1 LEU A 10 6.410 6.922 24.897 1.00 1.14 C ATOM 167 CD2 LEU A 10 7.124 9.081 23.914 1.00 43.34 C ATOM 0 H LEU A 10 2.580 9.901 25.339 1.00 43.30 H new ATOM 0 HA LEU A 10 5.251 10.563 26.340 1.00 42.42 H new ATOM 0 HB2 LEU A 10 4.311 8.241 25.718 1.00 72.10 H new ATOM 0 HB3 LEU A 10 4.463 8.758 24.051 1.00 72.10 H new ATOM 0 HG LEU A 10 6.784 8.733 25.990 1.00 1.01 H new ATOM 0 HD11 LEU A 10 7.453 6.606 24.891 1.00 1.14 H new ATOM 0 HD12 LEU A 10 5.893 6.451 25.733 1.00 1.14 H new ATOM 0 HD13 LEU A 10 5.935 6.624 23.962 1.00 1.14 H new ATOM 0 HD21 LEU A 10 8.155 8.729 23.938 1.00 43.34 H new ATOM 0 HD22 LEU A 10 6.673 8.817 22.958 1.00 43.34 H new ATOM 0 HD23 LEU A 10 7.107 10.164 24.036 1.00 43.34 H new ATOM 179 N ARG A 11 4.203 11.238 23.275 1.00 44.01 N ATOM 180 CA ARG A 11 4.415 12.093 22.120 1.00 70.51 C ATOM 181 C ARG A 11 3.093 12.342 21.407 1.00 54.14 C ATOM 182 O ARG A 11 2.367 11.402 21.086 1.00 5.14 O ATOM 183 CB ARG A 11 5.423 11.444 21.163 1.00 72.11 C ATOM 184 CG ARG A 11 5.730 12.267 19.919 1.00 11.52 C ATOM 185 CD ARG A 11 6.339 13.612 20.273 1.00 61.31 C ATOM 186 NE ARG A 11 6.736 14.370 19.089 1.00 14.44 N ATOM 187 CZ ARG A 11 6.389 15.636 18.864 1.00 32.23 C ATOM 188 NH1 ARG A 11 5.574 16.265 19.699 1.00 30.32 N ATOM 189 NH2 ARG A 11 6.860 16.273 17.802 1.00 33.32 N ATOM 0 H ARG A 11 3.428 10.583 23.175 1.00 44.01 H new ATOM 0 HA ARG A 11 4.818 13.049 22.455 1.00 70.51 H new ATOM 0 HB2 ARG A 11 6.353 11.263 21.702 1.00 72.11 H new ATOM 0 HB3 ARG A 11 5.039 10.472 20.855 1.00 72.11 H new ATOM 0 HG2 ARG A 11 6.416 11.714 19.277 1.00 11.52 H new ATOM 0 HG3 ARG A 11 4.814 12.421 19.349 1.00 11.52 H new ATOM 0 HD2 ARG A 11 5.620 14.194 20.850 1.00 61.31 H new ATOM 0 HD3 ARG A 11 7.209 13.458 20.911 1.00 61.31 H new ATOM 0 HE ARG A 11 7.314 13.901 18.392 1.00 14.44 H new ATOM 0 HH11 ARG A 11 5.209 15.779 20.519 1.00 30.32 H new ATOM 0 HH12 ARG A 11 5.311 17.235 19.522 1.00 30.32 H new ATOM 0 HH21 ARG A 11 7.488 15.794 17.157 1.00 33.32 H new ATOM 0 HH22 ARG A 11 6.594 17.243 17.629 1.00 33.32 H new ATOM 203 N LEU A 12 2.774 13.605 21.179 1.00 72.42 N ATOM 204 CA LEU A 12 1.562 13.958 20.459 1.00 13.21 C ATOM 205 C LEU A 12 1.766 13.685 18.973 1.00 21.01 C ATOM 206 O LEU A 12 2.523 14.386 18.298 1.00 34.22 O ATOM 207 CB LEU A 12 1.209 15.434 20.699 1.00 14.41 C ATOM 208 CG LEU A 12 -0.274 15.813 20.539 1.00 51.35 C ATOM 209 CD1 LEU A 12 -0.757 15.614 19.108 1.00 1.14 C ATOM 210 CD2 LEU A 12 -1.133 15.011 21.505 1.00 3.50 C ATOM 0 H LEU A 12 3.336 14.401 21.481 1.00 72.42 H new ATOM 0 HA LEU A 12 0.732 13.352 20.822 1.00 13.21 H new ATOM 0 HB2 LEU A 12 1.524 15.702 21.707 1.00 14.41 H new ATOM 0 HB3 LEU A 12 1.794 16.043 20.010 1.00 14.41 H new ATOM 0 HG LEU A 12 -0.370 16.873 20.774 1.00 51.35 H new ATOM 0 HD11 LEU A 12 -1.808 15.893 19.037 1.00 1.14 H new ATOM 0 HD12 LEU A 12 -0.170 16.239 18.435 1.00 1.14 H new ATOM 0 HD13 LEU A 12 -0.639 14.568 18.826 1.00 1.14 H new ATOM 0 HD21 LEU A 12 -2.179 15.290 21.380 1.00 3.50 H new ATOM 0 HD22 LEU A 12 -1.014 13.947 21.300 1.00 3.50 H new ATOM 0 HD23 LEU A 12 -0.822 15.220 22.528 1.00 3.50 H new ATOM 222 N LEU A 13 1.107 12.648 18.483 1.00 32.35 N ATOM 223 CA LEU A 13 1.216 12.255 17.092 1.00 61.22 C ATOM 224 C LEU A 13 -0.104 12.487 16.370 1.00 15.04 C ATOM 225 O LEU A 13 -1.110 12.834 16.992 1.00 31.11 O ATOM 226 CB LEU A 13 1.655 10.784 16.986 1.00 35.24 C ATOM 227 CG LEU A 13 0.908 9.789 17.891 1.00 13.21 C ATOM 228 CD1 LEU A 13 -0.475 9.463 17.343 1.00 14.21 C ATOM 229 CD2 LEU A 13 1.723 8.517 18.071 1.00 75.13 C ATOM 0 H LEU A 13 0.485 12.059 19.037 1.00 32.35 H new ATOM 0 HA LEU A 13 1.976 12.871 16.610 1.00 61.22 H new ATOM 0 HB2 LEU A 13 1.535 10.464 15.951 1.00 35.24 H new ATOM 0 HB3 LEU A 13 2.719 10.726 17.216 1.00 35.24 H new ATOM 0 HG LEU A 13 0.775 10.262 18.864 1.00 13.21 H new ATOM 0 HD11 LEU A 13 -0.973 8.758 18.008 1.00 14.21 H new ATOM 0 HD12 LEU A 13 -1.065 10.377 17.276 1.00 14.21 H new ATOM 0 HD13 LEU A 13 -0.378 9.021 16.352 1.00 14.21 H new ATOM 0 HD21 LEU A 13 1.180 7.825 18.714 1.00 75.13 H new ATOM 0 HD22 LEU A 13 1.893 8.053 17.099 1.00 75.13 H new ATOM 0 HD23 LEU A 13 2.682 8.761 18.529 1.00 75.13 H new ATOM 241 N THR A 14 -0.094 12.304 15.063 1.00 21.30 N ATOM 242 CA THR A 14 -1.291 12.486 14.265 1.00 12.43 C ATOM 243 C THR A 14 -2.164 11.232 14.334 1.00 4.34 C ATOM 244 O THR A 14 -1.698 10.131 14.039 1.00 72.01 O ATOM 245 CB THR A 14 -0.930 12.789 12.799 1.00 42.33 C ATOM 246 OG1 THR A 14 0.118 13.770 12.745 1.00 54.42 O ATOM 247 CG2 THR A 14 -2.143 13.302 12.037 1.00 31.51 C ATOM 0 H THR A 14 0.732 12.029 14.531 1.00 21.30 H new ATOM 0 HA THR A 14 -1.845 13.334 14.669 1.00 12.43 H new ATOM 0 HB THR A 14 -0.590 11.863 12.334 1.00 42.33 H new ATOM 0 HG1 THR A 14 0.344 13.957 11.810 1.00 54.42 H new ATOM 0 HG21 THR A 14 -1.863 13.509 11.004 1.00 31.51 H new ATOM 0 HG22 THR A 14 -2.930 12.548 12.056 1.00 31.51 H new ATOM 0 HG23 THR A 14 -2.506 14.217 12.505 1.00 31.51 H new ATOM 255 N PRO A 15 -3.441 11.385 14.725 1.00 1.42 N ATOM 256 CA PRO A 15 -4.363 10.256 14.915 1.00 34.04 C ATOM 257 C PRO A 15 -4.873 9.657 13.601 1.00 40.03 C ATOM 258 O PRO A 15 -5.795 8.837 13.594 1.00 11.13 O ATOM 259 CB PRO A 15 -5.518 10.883 15.698 1.00 11.30 C ATOM 260 CG PRO A 15 -5.527 12.309 15.270 1.00 3.35 C ATOM 261 CD PRO A 15 -4.088 12.677 15.029 1.00 61.04 C ATOM 0 HA PRO A 15 -3.875 9.422 15.419 1.00 34.04 H new ATOM 0 HB2 PRO A 15 -6.465 10.394 15.469 1.00 11.30 H new ATOM 0 HB3 PRO A 15 -5.364 10.792 16.773 1.00 11.30 H new ATOM 0 HG2 PRO A 15 -6.121 12.441 14.365 1.00 3.35 H new ATOM 0 HG3 PRO A 15 -5.969 12.944 16.037 1.00 3.35 H new ATOM 0 HD2 PRO A 15 -3.988 13.379 14.201 1.00 61.04 H new ATOM 0 HD3 PRO A 15 -3.644 13.151 15.905 1.00 61.04 H new ATOM 269 N SER A 16 -4.282 10.072 12.493 1.00 14.42 N ATOM 270 CA SER A 16 -4.636 9.531 11.195 1.00 54.55 C ATOM 271 C SER A 16 -3.779 8.306 10.885 1.00 65.44 C ATOM 272 O SER A 16 -2.566 8.314 11.112 1.00 63.33 O ATOM 273 CB SER A 16 -4.466 10.600 10.114 1.00 20.20 C ATOM 274 OG SER A 16 -5.311 11.711 10.369 1.00 54.44 O ATOM 0 H SER A 16 -3.552 10.784 12.469 1.00 14.42 H new ATOM 0 HA SER A 16 -5.682 9.223 11.212 1.00 54.55 H new ATOM 0 HB2 SER A 16 -3.427 10.928 10.080 1.00 20.20 H new ATOM 0 HB3 SER A 16 -4.699 10.176 9.137 1.00 20.20 H new ATOM 0 HG SER A 16 -5.187 12.384 9.668 1.00 54.44 H new ATOM 280 N GLN A 17 -4.421 7.259 10.366 1.00 64.23 N ATOM 281 CA GLN A 17 -3.749 5.992 10.054 1.00 41.42 C ATOM 282 C GLN A 17 -2.528 6.206 9.153 1.00 30.11 C ATOM 283 O GLN A 17 -1.550 5.464 9.236 1.00 60.32 O ATOM 284 CB GLN A 17 -4.736 5.033 9.378 1.00 32.31 C ATOM 285 CG GLN A 17 -5.914 4.644 10.261 1.00 31.44 C ATOM 286 CD GLN A 17 -5.525 3.701 11.384 1.00 63.12 C ATOM 287 OE1 GLN A 17 -5.121 4.134 12.464 1.00 30.04 O ATOM 288 NE2 GLN A 17 -5.677 2.407 11.150 1.00 62.14 N ATOM 0 H GLN A 17 -5.418 7.262 10.150 1.00 64.23 H new ATOM 0 HA GLN A 17 -3.399 5.559 10.991 1.00 41.42 H new ATOM 0 HB2 GLN A 17 -5.114 5.497 8.467 1.00 32.31 H new ATOM 0 HB3 GLN A 17 -4.204 4.130 9.078 1.00 32.31 H new ATOM 0 HG2 GLN A 17 -6.355 5.545 10.687 1.00 31.44 H new ATOM 0 HG3 GLN A 17 -6.681 4.173 9.647 1.00 31.44 H new ATOM 0 HE21 GLN A 17 -6.014 2.089 10.241 1.00 62.14 H new ATOM 0 HE22 GLN A 17 -5.457 1.728 11.878 1.00 62.14 H new ATOM 297 N PHE A 18 -2.590 7.239 8.314 1.00 32.21 N ATOM 298 CA PHE A 18 -1.502 7.562 7.390 1.00 34.13 C ATOM 299 C PHE A 18 -0.201 7.844 8.147 1.00 32.42 C ATOM 300 O PHE A 18 0.876 7.417 7.734 1.00 25.44 O ATOM 301 CB PHE A 18 -1.872 8.781 6.537 1.00 44.23 C ATOM 302 CG PHE A 18 -3.160 8.623 5.773 1.00 13.04 C ATOM 303 CD1 PHE A 18 -3.173 7.992 4.541 1.00 42.52 C ATOM 304 CD2 PHE A 18 -4.355 9.104 6.288 1.00 62.12 C ATOM 305 CE1 PHE A 18 -4.353 7.842 3.835 1.00 62.33 C ATOM 306 CE2 PHE A 18 -5.538 8.957 5.587 1.00 64.14 C ATOM 307 CZ PHE A 18 -5.537 8.325 4.360 1.00 60.51 C ATOM 0 H PHE A 18 -3.388 7.871 8.255 1.00 32.21 H new ATOM 0 HA PHE A 18 -1.348 6.699 6.742 1.00 34.13 H new ATOM 0 HB2 PHE A 18 -1.950 9.655 7.184 1.00 44.23 H new ATOM 0 HB3 PHE A 18 -1.064 8.977 5.832 1.00 44.23 H new ATOM 0 HD1 PHE A 18 -2.251 7.612 4.126 1.00 42.52 H new ATOM 0 HD2 PHE A 18 -4.362 9.599 7.248 1.00 62.12 H new ATOM 0 HE1 PHE A 18 -4.349 7.348 2.875 1.00 62.33 H new ATOM 0 HE2 PHE A 18 -6.461 9.336 5.999 1.00 64.14 H new ATOM 0 HZ PHE A 18 -6.460 8.208 3.811 1.00 60.51 H new ATOM 317 N THR A 19 -0.311 8.552 9.263 1.00 32.01 N ATOM 318 CA THR A 19 0.855 8.912 10.054 1.00 24.14 C ATOM 319 C THR A 19 1.168 7.819 11.075 1.00 34.43 C ATOM 320 O THR A 19 2.296 7.703 11.561 1.00 24.44 O ATOM 321 CB THR A 19 0.623 10.249 10.785 1.00 42.33 C ATOM 322 OG1 THR A 19 0.031 11.199 9.887 1.00 50.44 O ATOM 323 CG2 THR A 19 1.933 10.814 11.318 1.00 12.54 C ATOM 0 H THR A 19 -1.197 8.888 9.640 1.00 32.01 H new ATOM 0 HA THR A 19 1.702 9.020 9.376 1.00 24.14 H new ATOM 0 HB THR A 19 -0.047 10.064 11.625 1.00 42.33 H new ATOM 0 HG1 THR A 19 0.173 12.106 10.230 1.00 50.44 H new ATOM 0 HG21 THR A 19 1.741 11.757 11.829 1.00 12.54 H new ATOM 0 HG22 THR A 19 2.377 10.106 12.018 1.00 12.54 H new ATOM 0 HG23 THR A 19 2.620 10.984 10.489 1.00 12.54 H new ATOM 331 N PHE A 20 0.161 7.012 11.383 1.00 20.41 N ATOM 332 CA PHE A 20 0.297 5.956 12.372 1.00 34.01 C ATOM 333 C PHE A 20 1.190 4.828 11.856 1.00 54.31 C ATOM 334 O PHE A 20 2.037 4.310 12.584 1.00 50.41 O ATOM 335 CB PHE A 20 -1.084 5.413 12.748 1.00 74.24 C ATOM 336 CG PHE A 20 -1.048 4.322 13.778 1.00 34.01 C ATOM 337 CD1 PHE A 20 -0.816 4.618 15.111 1.00 32.42 C ATOM 338 CD2 PHE A 20 -1.248 3.001 13.413 1.00 61.35 C ATOM 339 CE1 PHE A 20 -0.783 3.618 16.061 1.00 11.02 C ATOM 340 CE2 PHE A 20 -1.217 1.994 14.359 1.00 54.34 C ATOM 341 CZ PHE A 20 -0.985 2.303 15.685 1.00 14.43 C ATOM 0 H PHE A 20 -0.764 7.071 10.958 1.00 20.41 H new ATOM 0 HA PHE A 20 0.770 6.377 13.260 1.00 34.01 H new ATOM 0 HB2 PHE A 20 -1.696 6.233 13.123 1.00 74.24 H new ATOM 0 HB3 PHE A 20 -1.572 5.035 11.850 1.00 74.24 H new ATOM 0 HD1 PHE A 20 -0.659 5.644 15.410 1.00 32.42 H new ATOM 0 HD2 PHE A 20 -1.430 2.755 12.377 1.00 61.35 H new ATOM 0 HE1 PHE A 20 -0.600 3.862 17.097 1.00 11.02 H new ATOM 0 HE2 PHE A 20 -1.374 0.968 14.062 1.00 54.34 H new ATOM 0 HZ PHE A 20 -0.961 1.519 16.427 1.00 14.43 H new ATOM 351 N VAL A 21 1.009 4.460 10.595 1.00 31.45 N ATOM 352 CA VAL A 21 1.777 3.368 10.001 1.00 21.40 C ATOM 353 C VAL A 21 3.236 3.766 9.783 1.00 15.23 C ATOM 354 O VAL A 21 4.121 2.913 9.764 1.00 52.22 O ATOM 355 CB VAL A 21 1.164 2.902 8.659 1.00 33.40 C ATOM 356 CG1 VAL A 21 -0.246 2.370 8.869 1.00 64.41 C ATOM 357 CG2 VAL A 21 1.161 4.029 7.635 1.00 52.50 C ATOM 0 H VAL A 21 0.339 4.899 9.963 1.00 31.45 H new ATOM 0 HA VAL A 21 1.738 2.540 10.708 1.00 21.40 H new ATOM 0 HB VAL A 21 1.785 2.095 8.271 1.00 33.40 H new ATOM 0 HG11 VAL A 21 -0.659 2.048 7.913 1.00 64.41 H new ATOM 0 HG12 VAL A 21 -0.217 1.524 9.556 1.00 64.41 H new ATOM 0 HG13 VAL A 21 -0.873 3.157 9.288 1.00 64.41 H new ATOM 0 HG21 VAL A 21 0.725 3.672 6.702 1.00 52.50 H new ATOM 0 HG22 VAL A 21 0.572 4.864 8.015 1.00 52.50 H new ATOM 0 HG23 VAL A 21 2.184 4.359 7.454 1.00 52.50 H new ATOM 367 N PHE A 22 3.480 5.066 9.668 1.00 32.22 N ATOM 368 CA PHE A 22 4.808 5.584 9.347 1.00 55.02 C ATOM 369 C PHE A 22 5.773 5.419 10.524 1.00 63.30 C ATOM 370 O PHE A 22 6.988 5.554 10.367 1.00 50.42 O ATOM 371 CB PHE A 22 4.704 7.061 8.945 1.00 22.24 C ATOM 372 CG PHE A 22 5.974 7.629 8.370 1.00 50.33 C ATOM 373 CD1 PHE A 22 6.420 7.227 7.121 1.00 54.11 C ATOM 374 CD2 PHE A 22 6.719 8.562 9.076 1.00 22.24 C ATOM 375 CE1 PHE A 22 7.584 7.744 6.586 1.00 0.45 C ATOM 376 CE2 PHE A 22 7.884 9.083 8.544 1.00 54.35 C ATOM 377 CZ PHE A 22 8.318 8.672 7.298 1.00 1.32 C ATOM 0 H PHE A 22 2.770 5.788 9.793 1.00 32.22 H new ATOM 0 HA PHE A 22 5.206 5.008 8.511 1.00 55.02 H new ATOM 0 HB2 PHE A 22 3.904 7.172 8.213 1.00 22.24 H new ATOM 0 HB3 PHE A 22 4.420 7.646 9.820 1.00 22.24 H new ATOM 0 HD1 PHE A 22 5.851 6.501 6.559 1.00 54.11 H new ATOM 0 HD2 PHE A 22 6.386 8.885 10.051 1.00 22.24 H new ATOM 0 HE1 PHE A 22 7.920 7.422 5.611 1.00 0.45 H new ATOM 0 HE2 PHE A 22 8.455 9.811 9.102 1.00 54.35 H new ATOM 0 HZ PHE A 22 9.229 9.076 6.882 1.00 1.32 H new ATOM 387 N GLN A 23 5.233 5.115 11.699 1.00 52.15 N ATOM 388 CA GLN A 23 6.054 4.923 12.892 1.00 31.30 C ATOM 389 C GLN A 23 6.922 3.675 12.757 1.00 52.13 C ATOM 390 O GLN A 23 8.050 3.631 13.255 1.00 61.03 O ATOM 391 CB GLN A 23 5.169 4.816 14.136 1.00 41.43 C ATOM 392 CG GLN A 23 4.277 6.028 14.348 1.00 21.22 C ATOM 393 CD GLN A 23 5.064 7.320 14.466 1.00 34.22 C ATOM 394 OE1 GLN A 23 6.194 7.332 14.950 1.00 3.05 O ATOM 395 NE2 GLN A 23 4.481 8.415 14.003 1.00 50.51 N ATOM 0 H GLN A 23 4.232 4.996 11.852 1.00 52.15 H new ATOM 0 HA GLN A 23 6.708 5.789 12.998 1.00 31.30 H new ATOM 0 HB2 GLN A 23 4.546 3.925 14.054 1.00 41.43 H new ATOM 0 HB3 GLN A 23 5.802 4.682 15.013 1.00 41.43 H new ATOM 0 HG2 GLN A 23 3.577 6.109 13.517 1.00 21.22 H new ATOM 0 HG3 GLN A 23 3.684 5.884 15.251 1.00 21.22 H new ATOM 0 HE21 GLN A 23 3.542 8.365 13.608 1.00 50.51 H new ATOM 0 HE22 GLN A 23 4.971 9.309 14.041 1.00 50.51 H new ATOM 404 N GLN A 24 6.387 2.672 12.069 1.00 42.15 N ATOM 405 CA GLN A 24 7.088 1.416 11.828 1.00 74.11 C ATOM 406 C GLN A 24 6.207 0.539 10.947 1.00 62.34 C ATOM 407 O GLN A 24 5.358 -0.200 11.447 1.00 0.12 O ATOM 408 CB GLN A 24 7.401 0.696 13.146 1.00 24.34 C ATOM 409 CG GLN A 24 8.738 -0.031 13.162 1.00 53.02 C ATOM 410 CD GLN A 24 8.846 -1.119 12.115 1.00 51.30 C ATOM 411 OE1 GLN A 24 9.293 -0.878 10.993 1.00 72.43 O ATOM 412 NE2 GLN A 24 8.447 -2.325 12.479 1.00 24.51 N ATOM 0 H GLN A 24 5.453 2.707 11.662 1.00 42.15 H new ATOM 0 HA GLN A 24 8.037 1.620 11.333 1.00 74.11 H new ATOM 0 HB2 GLN A 24 7.388 1.425 13.956 1.00 24.34 H new ATOM 0 HB3 GLN A 24 6.608 -0.023 13.351 1.00 24.34 H new ATOM 0 HG2 GLN A 24 9.538 0.693 13.006 1.00 53.02 H new ATOM 0 HG3 GLN A 24 8.892 -0.470 14.148 1.00 53.02 H new ATOM 0 HE21 GLN A 24 8.083 -2.480 13.419 1.00 24.51 H new ATOM 0 HE22 GLN A 24 8.503 -3.101 11.820 1.00 24.51 H new ATOM 421 N PRO A 25 6.350 0.668 9.623 1.00 14.14 N ATOM 422 CA PRO A 25 5.510 -0.017 8.657 1.00 32.25 C ATOM 423 C PRO A 25 6.122 -1.302 8.107 1.00 20.33 C ATOM 424 O PRO A 25 7.293 -1.613 8.342 1.00 13.11 O ATOM 425 CB PRO A 25 5.404 1.031 7.550 1.00 1.44 C ATOM 426 CG PRO A 25 6.707 1.776 7.590 1.00 2.45 C ATOM 427 CD PRO A 25 7.330 1.525 8.947 1.00 65.41 C ATOM 0 HA PRO A 25 4.566 -0.344 9.092 1.00 32.25 H new ATOM 0 HB2 PRO A 25 5.247 0.563 6.578 1.00 1.44 H new ATOM 0 HB3 PRO A 25 4.561 1.701 7.721 1.00 1.44 H new ATOM 0 HG2 PRO A 25 7.369 1.434 6.794 1.00 2.45 H new ATOM 0 HG3 PRO A 25 6.544 2.842 7.433 1.00 2.45 H new ATOM 0 HD2 PRO A 25 8.299 1.034 8.859 1.00 65.41 H new ATOM 0 HD3 PRO A 25 7.493 2.455 9.492 1.00 65.41 H new ATOM 435 N GLN A 26 5.307 -2.047 7.384 1.00 34.13 N ATOM 436 CA GLN A 26 5.760 -3.220 6.662 1.00 12.04 C ATOM 437 C GLN A 26 6.201 -2.803 5.266 1.00 73.41 C ATOM 438 O GLN A 26 5.448 -2.149 4.543 1.00 4.31 O ATOM 439 CB GLN A 26 4.633 -4.251 6.586 1.00 0.52 C ATOM 440 CG GLN A 26 4.258 -4.842 7.936 1.00 51.22 C ATOM 441 CD GLN A 26 2.943 -5.591 7.895 1.00 53.21 C ATOM 442 OE1 GLN A 26 2.037 -5.235 7.146 1.00 22.14 O ATOM 443 NE2 GLN A 26 2.831 -6.644 8.690 1.00 34.15 N ATOM 0 H GLN A 26 4.311 -1.855 7.281 1.00 34.13 H new ATOM 0 HA GLN A 26 6.603 -3.674 7.182 1.00 12.04 H new ATOM 0 HB2 GLN A 26 3.752 -3.783 6.146 1.00 0.52 H new ATOM 0 HB3 GLN A 26 4.933 -5.057 5.916 1.00 0.52 H new ATOM 0 HG2 GLN A 26 5.047 -5.518 8.265 1.00 51.22 H new ATOM 0 HG3 GLN A 26 4.194 -4.043 8.674 1.00 51.22 H new ATOM 0 HE21 GLN A 26 3.606 -6.909 9.298 1.00 34.15 H new ATOM 0 HE22 GLN A 26 1.970 -7.191 8.694 1.00 34.15 H new ATOM 452 N ARG A 27 7.420 -3.157 4.898 1.00 11.24 N ATOM 453 CA ARG A 27 7.978 -2.719 3.630 1.00 65.34 C ATOM 454 C ARG A 27 7.472 -3.599 2.490 1.00 35.44 C ATOM 455 O ARG A 27 8.095 -4.599 2.129 1.00 64.23 O ATOM 456 CB ARG A 27 9.509 -2.731 3.686 1.00 74.44 C ATOM 457 CG ARG A 27 10.161 -1.583 2.924 1.00 1.01 C ATOM 458 CD ARG A 27 9.975 -1.711 1.421 1.00 65.01 C ATOM 459 NE ARG A 27 10.824 -2.756 0.850 1.00 22.11 N ATOM 460 CZ ARG A 27 10.599 -3.336 -0.327 1.00 41.03 C ATOM 461 NH1 ARG A 27 9.510 -3.027 -1.021 1.00 52.23 N ATOM 462 NH2 ARG A 27 11.460 -4.224 -0.809 1.00 44.02 N ATOM 0 H ARG A 27 8.040 -3.744 5.456 1.00 11.24 H new ATOM 0 HA ARG A 27 7.650 -1.696 3.442 1.00 65.34 H new ATOM 0 HB2 ARG A 27 9.826 -2.689 4.728 1.00 74.44 H new ATOM 0 HB3 ARG A 27 9.871 -3.676 3.281 1.00 74.44 H new ATOM 0 HG2 ARG A 27 9.736 -0.638 3.262 1.00 1.01 H new ATOM 0 HG3 ARG A 27 11.226 -1.554 3.155 1.00 1.01 H new ATOM 0 HD2 ARG A 27 8.930 -1.933 1.203 1.00 65.01 H new ATOM 0 HD3 ARG A 27 10.204 -0.758 0.945 1.00 65.01 H new ATOM 0 HE ARG A 27 11.637 -3.059 1.386 1.00 22.11 H new ATOM 0 HH11 ARG A 27 8.847 -2.346 -0.652 1.00 52.23 H new ATOM 0 HH12 ARG A 27 9.337 -3.471 -1.923 1.00 52.23 H new ATOM 0 HH21 ARG A 27 12.297 -4.464 -0.277 1.00 44.02 H new ATOM 0 HH22 ARG A 27 11.285 -4.667 -1.711 1.00 44.02 H new ATOM 476 N ALA A 28 6.323 -3.230 1.946 1.00 11.43 N ATOM 477 CA ALA A 28 5.739 -3.956 0.832 1.00 63.41 C ATOM 478 C ALA A 28 5.797 -3.123 -0.442 1.00 11.43 C ATOM 479 O ALA A 28 5.882 -1.893 -0.386 1.00 33.43 O ATOM 480 CB ALA A 28 4.302 -4.350 1.146 1.00 23.32 C ATOM 0 H ALA A 28 5.776 -2.429 2.260 1.00 11.43 H new ATOM 0 HA ALA A 28 6.320 -4.865 0.674 1.00 63.41 H new ATOM 0 HB1 ALA A 28 3.880 -4.893 0.300 1.00 23.32 H new ATOM 0 HB2 ALA A 28 4.284 -4.986 2.031 1.00 23.32 H new ATOM 0 HB3 ALA A 28 3.711 -3.453 1.332 1.00 23.32 H new ATOM 486 N GLY A 29 5.769 -3.794 -1.585 1.00 23.11 N ATOM 487 CA GLY A 29 5.783 -3.096 -2.855 1.00 32.21 C ATOM 488 C GLY A 29 7.181 -2.934 -3.409 1.00 41.24 C ATOM 489 O GLY A 29 8.036 -3.799 -3.218 1.00 42.11 O ATOM 0 H GLY A 29 5.737 -4.811 -1.656 1.00 23.11 H new ATOM 0 HA2 GLY A 29 5.172 -3.642 -3.573 1.00 32.21 H new ATOM 0 HA3 GLY A 29 5.328 -2.113 -2.731 1.00 32.21 H new ATOM 493 N THR A 30 7.419 -1.821 -4.081 1.00 23.33 N ATOM 494 CA THR A 30 8.705 -1.557 -4.704 1.00 70.11 C ATOM 495 C THR A 30 9.164 -0.129 -4.393 1.00 35.12 C ATOM 496 O THR A 30 8.421 0.645 -3.787 1.00 14.43 O ATOM 497 CB THR A 30 8.623 -1.763 -6.233 1.00 11.02 C ATOM 498 OG1 THR A 30 7.499 -1.056 -6.768 1.00 71.51 O ATOM 499 CG2 THR A 30 8.508 -3.238 -6.583 1.00 34.03 C ATOM 0 H THR A 30 6.731 -1.079 -4.210 1.00 23.33 H new ATOM 0 HA THR A 30 9.432 -2.260 -4.297 1.00 70.11 H new ATOM 0 HB THR A 30 9.541 -1.373 -6.672 1.00 11.02 H new ATOM 0 HG1 THR A 30 7.314 -1.375 -7.676 1.00 71.51 H new ATOM 0 HG21 THR A 30 8.452 -3.352 -7.666 1.00 34.03 H new ATOM 0 HG22 THR A 30 9.382 -3.770 -6.207 1.00 34.03 H new ATOM 0 HG23 THR A 30 7.608 -3.651 -6.128 1.00 34.03 H new ATOM 507 N PRO A 31 10.400 0.238 -4.778 1.00 33.34 N ATOM 508 CA PRO A 31 10.917 1.601 -4.588 1.00 12.23 C ATOM 509 C PRO A 31 10.186 2.639 -5.444 1.00 22.14 C ATOM 510 O PRO A 31 10.357 3.840 -5.251 1.00 65.24 O ATOM 511 CB PRO A 31 12.389 1.498 -5.015 1.00 32.23 C ATOM 512 CG PRO A 31 12.696 0.040 -5.016 1.00 74.54 C ATOM 513 CD PRO A 31 11.414 -0.642 -5.382 1.00 61.40 C ATOM 0 HA PRO A 31 10.780 1.937 -3.560 1.00 12.23 H new ATOM 0 HB2 PRO A 31 12.544 1.933 -6.002 1.00 32.23 H new ATOM 0 HB3 PRO A 31 13.038 2.036 -4.324 1.00 32.23 H new ATOM 0 HG2 PRO A 31 13.483 -0.194 -5.733 1.00 74.54 H new ATOM 0 HG3 PRO A 31 13.048 -0.287 -4.038 1.00 74.54 H new ATOM 0 HD2 PRO A 31 11.291 -0.721 -6.462 1.00 61.40 H new ATOM 0 HD3 PRO A 31 11.364 -1.654 -4.980 1.00 61.40 H new ATOM 521 N GLN A 32 9.380 2.176 -6.395 1.00 62.12 N ATOM 522 CA GLN A 32 8.607 3.086 -7.236 1.00 44.33 C ATOM 523 C GLN A 32 7.201 3.264 -6.665 1.00 2.04 C ATOM 524 O GLN A 32 6.594 4.325 -6.797 1.00 4.20 O ATOM 525 CB GLN A 32 8.546 2.577 -8.683 1.00 44.54 C ATOM 526 CG GLN A 32 7.736 1.303 -8.856 1.00 41.43 C ATOM 527 CD GLN A 32 7.793 0.762 -10.269 1.00 50.12 C ATOM 528 OE1 GLN A 32 8.646 -0.063 -10.594 1.00 41.20 O ATOM 529 NE2 GLN A 32 6.885 1.217 -11.116 1.00 13.32 N ATOM 0 H GLN A 32 9.245 1.186 -6.602 1.00 62.12 H new ATOM 0 HA GLN A 32 9.105 4.055 -7.244 1.00 44.33 H new ATOM 0 HB2 GLN A 32 8.118 3.356 -9.314 1.00 44.54 H new ATOM 0 HB3 GLN A 32 9.561 2.401 -9.039 1.00 44.54 H new ATOM 0 HG2 GLN A 32 8.107 0.545 -8.166 1.00 41.43 H new ATOM 0 HG3 GLN A 32 6.698 1.498 -8.588 1.00 41.43 H new ATOM 0 HE21 GLN A 32 6.195 1.901 -10.805 1.00 13.32 H new ATOM 0 HE22 GLN A 32 6.874 0.884 -12.080 1.00 13.32 H new ATOM 538 N ILE A 33 6.693 2.220 -6.023 1.00 41.05 N ATOM 539 CA ILE A 33 5.399 2.280 -5.360 1.00 23.25 C ATOM 540 C ILE A 33 5.450 1.485 -4.057 1.00 70.54 C ATOM 541 O ILE A 33 5.475 0.250 -4.054 1.00 64.03 O ATOM 542 CB ILE A 33 4.252 1.778 -6.275 1.00 1.22 C ATOM 543 CG1 ILE A 33 2.923 1.767 -5.513 1.00 21.12 C ATOM 544 CG2 ILE A 33 4.562 0.401 -6.850 1.00 13.44 C ATOM 545 CD1 ILE A 33 1.731 1.398 -6.368 1.00 22.14 C ATOM 0 H ILE A 33 7.161 1.317 -5.948 1.00 41.05 H new ATOM 0 HA ILE A 33 5.183 3.324 -5.133 1.00 23.25 H new ATOM 0 HB ILE A 33 4.163 2.470 -7.112 1.00 1.22 H new ATOM 0 HG12 ILE A 33 2.996 1.062 -4.685 1.00 21.12 H new ATOM 0 HG13 ILE A 33 2.756 2.753 -5.079 1.00 21.12 H new ATOM 0 HG21 ILE A 33 3.738 0.079 -7.487 1.00 13.44 H new ATOM 0 HG22 ILE A 33 5.478 0.450 -7.439 1.00 13.44 H new ATOM 0 HG23 ILE A 33 4.692 -0.312 -6.036 1.00 13.44 H new ATOM 0 HD11 ILE A 33 0.828 1.412 -5.758 1.00 22.14 H new ATOM 0 HD12 ILE A 33 1.631 2.116 -7.182 1.00 22.14 H new ATOM 0 HD13 ILE A 33 1.875 0.400 -6.781 1.00 22.14 H new ATOM 557 N THR A 34 5.504 2.201 -2.950 1.00 74.54 N ATOM 558 CA THR A 34 5.700 1.575 -1.656 1.00 22.23 C ATOM 559 C THR A 34 4.391 1.511 -0.874 1.00 12.14 C ATOM 560 O THR A 34 3.723 2.526 -0.674 1.00 34.44 O ATOM 561 CB THR A 34 6.756 2.344 -0.836 1.00 12.21 C ATOM 562 OG1 THR A 34 7.900 2.629 -1.659 1.00 62.33 O ATOM 563 CG2 THR A 34 7.194 1.535 0.376 1.00 74.43 C ATOM 0 H THR A 34 5.415 3.217 -2.921 1.00 74.54 H new ATOM 0 HA THR A 34 6.053 0.558 -1.830 1.00 22.23 H new ATOM 0 HB THR A 34 6.309 3.276 -0.491 1.00 12.21 H new ATOM 0 HG1 THR A 34 8.001 1.925 -2.334 1.00 62.33 H new ATOM 0 HG21 THR A 34 7.939 2.097 0.939 1.00 74.43 H new ATOM 0 HG22 THR A 34 6.331 1.337 1.012 1.00 74.43 H new ATOM 0 HG23 THR A 34 7.626 0.590 0.046 1.00 74.43 H new ATOM 571 N ILE A 35 4.025 0.313 -0.445 1.00 1.23 N ATOM 572 CA ILE A 35 2.819 0.121 0.343 1.00 35.35 C ATOM 573 C ILE A 35 3.183 0.091 1.824 1.00 11.23 C ATOM 574 O ILE A 35 3.823 -0.851 2.294 1.00 43.45 O ATOM 575 CB ILE A 35 2.062 -1.186 -0.023 1.00 31.33 C ATOM 576 CG1 ILE A 35 1.557 -1.163 -1.475 1.00 24.11 C ATOM 577 CG2 ILE A 35 0.890 -1.409 0.926 1.00 22.53 C ATOM 578 CD1 ILE A 35 2.632 -1.390 -2.514 1.00 12.13 C ATOM 0 H ILE A 35 4.548 -0.543 -0.630 1.00 1.23 H new ATOM 0 HA ILE A 35 2.153 0.955 0.122 1.00 35.35 H new ATOM 0 HB ILE A 35 2.770 -2.009 0.077 1.00 31.33 H new ATOM 0 HG12 ILE A 35 0.789 -1.927 -1.592 1.00 24.11 H new ATOM 0 HG13 ILE A 35 1.081 -0.201 -1.666 1.00 24.11 H new ATOM 0 HG21 ILE A 35 0.372 -2.329 0.654 1.00 22.53 H new ATOM 0 HG22 ILE A 35 1.260 -1.489 1.948 1.00 22.53 H new ATOM 0 HG23 ILE A 35 0.199 -0.569 0.855 1.00 22.53 H new ATOM 0 HD11 ILE A 35 2.189 -1.358 -3.509 1.00 12.13 H new ATOM 0 HD12 ILE A 35 3.390 -0.612 -2.429 1.00 12.13 H new ATOM 0 HD13 ILE A 35 3.093 -2.365 -2.354 1.00 12.13 H new ATOM 590 N LEU A 36 2.794 1.129 2.547 1.00 20.55 N ATOM 591 CA LEU A 36 3.084 1.217 3.966 1.00 4.42 C ATOM 592 C LEU A 36 1.934 0.627 4.769 1.00 45.12 C ATOM 593 O LEU A 36 0.960 1.312 5.086 1.00 30.12 O ATOM 594 CB LEU A 36 3.346 2.669 4.402 1.00 75.42 C ATOM 595 CG LEU A 36 4.631 3.318 3.861 1.00 11.13 C ATOM 596 CD1 LEU A 36 5.830 2.408 4.069 1.00 1.12 C ATOM 597 CD2 LEU A 36 4.489 3.684 2.392 1.00 42.04 C ATOM 0 H LEU A 36 2.276 1.923 2.172 1.00 20.55 H new ATOM 0 HA LEU A 36 3.991 0.645 4.159 1.00 4.42 H new ATOM 0 HB2 LEU A 36 2.497 3.279 4.092 1.00 75.42 H new ATOM 0 HB3 LEU A 36 3.379 2.699 5.491 1.00 75.42 H new ATOM 0 HG LEU A 36 4.796 4.237 4.423 1.00 11.13 H new ATOM 0 HD11 LEU A 36 6.725 2.891 3.678 1.00 1.12 H new ATOM 0 HD12 LEU A 36 5.959 2.213 5.134 1.00 1.12 H new ATOM 0 HD13 LEU A 36 5.667 1.466 3.545 1.00 1.12 H new ATOM 0 HD21 LEU A 36 5.414 4.141 2.040 1.00 42.04 H new ATOM 0 HD22 LEU A 36 4.284 2.785 1.811 1.00 42.04 H new ATOM 0 HD23 LEU A 36 3.667 4.389 2.271 1.00 42.04 H new ATOM 609 N GLY A 37 2.034 -0.659 5.046 1.00 33.40 N ATOM 610 CA GLY A 37 1.033 -1.326 5.847 1.00 52.22 C ATOM 611 C GLY A 37 1.508 -1.526 7.269 1.00 74.13 C ATOM 612 O GLY A 37 2.706 -1.432 7.540 1.00 71.33 O ATOM 0 H GLY A 37 2.796 -1.258 4.728 1.00 33.40 H new ATOM 0 HA2 GLY A 37 0.115 -0.739 5.848 1.00 52.22 H new ATOM 0 HA3 GLY A 37 0.793 -2.292 5.402 1.00 52.22 H new ATOM 616 N ARG A 38 0.581 -1.792 8.174 1.00 65.44 N ATOM 617 CA ARG A 38 0.920 -2.026 9.569 1.00 62.20 C ATOM 618 C ARG A 38 -0.266 -2.620 10.306 1.00 61.24 C ATOM 619 O ARG A 38 -1.361 -2.052 10.296 1.00 4.34 O ATOM 620 CB ARG A 38 1.362 -0.725 10.250 1.00 11.14 C ATOM 621 CG ARG A 38 1.544 -0.848 11.758 1.00 15.13 C ATOM 622 CD ARG A 38 2.077 0.441 12.358 1.00 42.22 C ATOM 623 NE ARG A 38 2.054 0.418 13.820 1.00 41.13 N ATOM 624 CZ ARG A 38 3.139 0.561 14.585 1.00 2.34 C ATOM 625 NH1 ARG A 38 4.343 0.618 14.035 1.00 55.35 N ATOM 626 NH2 ARG A 38 3.026 0.607 15.907 1.00 41.45 N ATOM 0 H ARG A 38 -0.416 -1.852 7.967 1.00 65.44 H new ATOM 0 HA ARG A 38 1.750 -2.732 9.602 1.00 62.20 H new ATOM 0 HB2 ARG A 38 2.301 -0.395 9.806 1.00 11.14 H new ATOM 0 HB3 ARG A 38 0.623 0.050 10.045 1.00 11.14 H new ATOM 0 HG2 ARG A 38 0.590 -1.100 12.222 1.00 15.13 H new ATOM 0 HG3 ARG A 38 2.231 -1.665 11.978 1.00 15.13 H new ATOM 0 HD2 ARG A 38 3.098 0.605 12.014 1.00 42.22 H new ATOM 0 HD3 ARG A 38 1.481 1.281 12.000 1.00 42.22 H new ATOM 0 HE ARG A 38 1.155 0.285 14.283 1.00 41.13 H new ATOM 0 HH11 ARG A 38 4.445 0.553 13.022 1.00 55.35 H new ATOM 0 HH12 ARG A 38 5.168 0.727 14.624 1.00 55.35 H new ATOM 0 HH21 ARG A 38 2.107 0.533 16.343 1.00 41.45 H new ATOM 0 HH22 ARG A 38 3.858 0.716 16.486 1.00 41.45 H new ATOM 640 N LEU A 39 -0.041 -3.768 10.931 1.00 32.41 N ATOM 641 CA LEU A 39 -1.059 -4.399 11.754 1.00 65.45 C ATOM 642 C LEU A 39 -1.517 -3.427 12.830 1.00 41.13 C ATOM 643 O LEU A 39 -0.700 -2.850 13.546 1.00 0.13 O ATOM 644 CB LEU A 39 -0.536 -5.702 12.389 1.00 74.33 C ATOM 645 CG LEU A 39 0.658 -5.566 13.350 1.00 55.45 C ATOM 646 CD1 LEU A 39 0.801 -6.821 14.194 1.00 62.05 C ATOM 647 CD2 LEU A 39 1.951 -5.314 12.583 1.00 51.35 C ATOM 0 H LEU A 39 0.840 -4.280 10.882 1.00 32.41 H new ATOM 0 HA LEU A 39 -1.906 -4.660 11.120 1.00 65.45 H new ATOM 0 HB2 LEU A 39 -1.358 -6.172 12.930 1.00 74.33 H new ATOM 0 HB3 LEU A 39 -0.252 -6.383 11.586 1.00 74.33 H new ATOM 0 HG LEU A 39 0.469 -4.713 14.001 1.00 55.45 H new ATOM 0 HD11 LEU A 39 1.650 -6.711 14.869 1.00 62.05 H new ATOM 0 HD12 LEU A 39 -0.108 -6.974 14.776 1.00 62.05 H new ATOM 0 HD13 LEU A 39 0.964 -7.680 13.544 1.00 62.05 H new ATOM 0 HD21 LEU A 39 2.779 -5.222 13.286 1.00 51.35 H new ATOM 0 HD22 LEU A 39 2.141 -6.147 11.906 1.00 51.35 H new ATOM 0 HD23 LEU A 39 1.859 -4.393 12.008 1.00 51.35 H new ATOM 659 N ASN A 40 -2.817 -3.212 12.912 1.00 24.05 N ATOM 660 CA ASN A 40 -3.363 -2.264 13.864 1.00 73.03 C ATOM 661 C ASN A 40 -4.785 -2.646 14.237 1.00 71.34 C ATOM 662 O ASN A 40 -5.470 -3.336 13.478 1.00 74.00 O ATOM 663 CB ASN A 40 -3.326 -0.836 13.301 1.00 31.02 C ATOM 664 CG ASN A 40 -4.315 -0.611 12.174 1.00 33.22 C ATOM 665 OD1 ASN A 40 -5.461 -0.232 12.409 1.00 42.30 O ATOM 666 ND2 ASN A 40 -3.882 -0.836 10.943 1.00 41.51 N ATOM 0 H ASN A 40 -3.513 -3.680 12.332 1.00 24.05 H new ATOM 0 HA ASN A 40 -2.745 -2.293 14.761 1.00 73.03 H new ATOM 0 HB2 ASN A 40 -3.535 -0.130 14.105 1.00 31.02 H new ATOM 0 HB3 ASN A 40 -2.320 -0.621 12.941 1.00 31.02 H new ATOM 0 HD21 ASN A 40 -4.507 -0.695 10.149 1.00 41.51 H new ATOM 0 HD22 ASN A 40 -2.924 -1.150 10.789 1.00 41.51 H new ATOM 673 N SER A 41 -5.216 -2.209 15.406 1.00 44.54 N ATOM 674 CA SER A 41 -6.554 -2.500 15.877 1.00 43.11 C ATOM 675 C SER A 41 -7.553 -1.487 15.327 1.00 12.01 C ATOM 676 O SER A 41 -7.714 -0.389 15.867 1.00 13.32 O ATOM 677 CB SER A 41 -6.576 -2.510 17.406 1.00 63.42 C ATOM 678 OG SER A 41 -5.623 -3.431 17.914 1.00 35.25 O ATOM 0 H SER A 41 -4.655 -1.649 16.048 1.00 44.54 H new ATOM 0 HA SER A 41 -6.847 -3.486 15.516 1.00 43.11 H new ATOM 0 HB2 SER A 41 -6.361 -1.511 17.785 1.00 63.42 H new ATOM 0 HB3 SER A 41 -7.572 -2.777 17.759 1.00 63.42 H new ATOM 0 HG SER A 41 -5.650 -3.423 18.894 1.00 35.25 H new ATOM 684 N LEU A 42 -8.190 -1.862 14.227 1.00 31.55 N ATOM 685 CA LEU A 42 -9.235 -1.057 13.608 1.00 32.34 C ATOM 686 C LEU A 42 -9.975 -1.904 12.585 1.00 13.11 C ATOM 687 O LEU A 42 -11.204 -1.952 12.571 1.00 70.24 O ATOM 688 CB LEU A 42 -8.654 0.196 12.936 1.00 43.54 C ATOM 689 CG LEU A 42 -9.691 1.154 12.337 1.00 23.14 C ATOM 690 CD1 LEU A 42 -10.624 1.681 13.417 1.00 73.12 C ATOM 691 CD2 LEU A 42 -9.004 2.307 11.618 1.00 2.51 C ATOM 0 H LEU A 42 -7.997 -2.735 13.737 1.00 31.55 H new ATOM 0 HA LEU A 42 -9.924 -0.724 14.384 1.00 32.34 H new ATOM 0 HB2 LEU A 42 -8.061 0.741 13.670 1.00 43.54 H new ATOM 0 HB3 LEU A 42 -7.973 -0.118 12.145 1.00 43.54 H new ATOM 0 HG LEU A 42 -10.286 0.600 11.610 1.00 23.14 H new ATOM 0 HD11 LEU A 42 -11.352 2.359 12.970 1.00 73.12 H new ATOM 0 HD12 LEU A 42 -11.145 0.847 13.886 1.00 73.12 H new ATOM 0 HD13 LEU A 42 -10.044 2.216 14.169 1.00 73.12 H new ATOM 0 HD21 LEU A 42 -9.757 2.975 11.200 1.00 2.51 H new ATOM 0 HD22 LEU A 42 -8.382 2.857 12.324 1.00 2.51 H new ATOM 0 HD23 LEU A 42 -8.381 1.915 10.814 1.00 2.51 H new ATOM 703 N GLY A 43 -9.211 -2.597 11.745 1.00 60.14 N ATOM 704 CA GLY A 43 -9.799 -3.467 10.745 1.00 54.13 C ATOM 705 C GLY A 43 -10.522 -2.685 9.675 1.00 4.32 C ATOM 706 O GLY A 43 -11.661 -2.993 9.328 1.00 34.40 O ATOM 0 H GLY A 43 -8.191 -2.570 11.741 1.00 60.14 H new ATOM 0 HA2 GLY A 43 -9.018 -4.073 10.287 1.00 54.13 H new ATOM 0 HA3 GLY A 43 -10.495 -4.154 11.226 1.00 54.13 H new ATOM 710 N HIS A 44 -9.855 -1.669 9.161 1.00 33.15 N ATOM 711 CA HIS A 44 -10.433 -0.797 8.155 1.00 52.42 C ATOM 712 C HIS A 44 -9.761 -1.044 6.803 1.00 53.12 C ATOM 713 O HIS A 44 -8.756 -0.422 6.474 1.00 12.10 O ATOM 714 CB HIS A 44 -10.270 0.658 8.610 1.00 60.12 C ATOM 715 CG HIS A 44 -10.751 1.690 7.638 1.00 34.31 C ATOM 716 ND1 HIS A 44 -9.896 2.503 6.939 1.00 71.05 N ATOM 717 CD2 HIS A 44 -12.000 2.066 7.284 1.00 14.42 C ATOM 718 CE1 HIS A 44 -10.592 3.337 6.195 1.00 73.10 C ATOM 719 NE2 HIS A 44 -11.879 3.097 6.384 1.00 42.34 N ATOM 0 H HIS A 44 -8.901 -1.425 9.427 1.00 33.15 H new ATOM 0 HA HIS A 44 -11.496 -1.007 8.035 1.00 52.42 H new ATOM 0 HB2 HIS A 44 -10.806 0.790 9.550 1.00 60.12 H new ATOM 0 HB3 HIS A 44 -9.215 0.841 8.817 1.00 60.12 H new ATOM 0 HD1 HIS A 44 -8.878 2.467 6.988 1.00 71.05 H new ATOM 0 HD2 HIS A 44 -12.923 1.635 7.643 1.00 14.42 H new ATOM 0 HE1 HIS A 44 -10.181 4.091 5.540 1.00 73.10 H new ATOM 728 N PRO A 45 -10.300 -1.980 6.008 1.00 12.40 N ATOM 729 CA PRO A 45 -9.696 -2.369 4.745 1.00 13.45 C ATOM 730 C PRO A 45 -10.072 -1.436 3.598 1.00 13.31 C ATOM 731 O PRO A 45 -11.027 -1.687 2.857 1.00 41.34 O ATOM 732 CB PRO A 45 -10.250 -3.772 4.513 1.00 23.54 C ATOM 733 CG PRO A 45 -11.582 -3.780 5.191 1.00 2.11 C ATOM 734 CD PRO A 45 -11.540 -2.729 6.275 1.00 12.44 C ATOM 0 HA PRO A 45 -8.607 -2.326 4.782 1.00 13.45 H new ATOM 0 HB2 PRO A 45 -10.348 -3.987 3.449 1.00 23.54 H new ATOM 0 HB3 PRO A 45 -9.590 -4.531 4.932 1.00 23.54 H new ATOM 0 HG2 PRO A 45 -12.378 -3.565 4.478 1.00 2.11 H new ATOM 0 HG3 PRO A 45 -11.791 -4.762 5.616 1.00 2.11 H new ATOM 0 HD2 PRO A 45 -12.414 -2.079 6.233 1.00 12.44 H new ATOM 0 HD3 PRO A 45 -11.526 -3.181 7.267 1.00 12.44 H new ATOM 742 N ARG A 46 -9.339 -0.344 3.482 1.00 45.54 N ATOM 743 CA ARG A 46 -9.511 0.575 2.372 1.00 34.12 C ATOM 744 C ARG A 46 -8.146 0.994 1.861 1.00 11.33 C ATOM 745 O ARG A 46 -7.272 1.368 2.644 1.00 43.01 O ATOM 746 CB ARG A 46 -10.317 1.809 2.791 1.00 73.41 C ATOM 747 CG ARG A 46 -10.925 2.554 1.611 1.00 32.44 C ATOM 748 CD ARG A 46 -11.641 3.824 2.043 1.00 43.43 C ATOM 749 NE ARG A 46 -10.715 4.934 2.266 1.00 4.22 N ATOM 750 CZ ARG A 46 -11.075 6.123 2.756 1.00 41.31 C ATOM 751 NH1 ARG A 46 -12.328 6.350 3.136 1.00 52.41 N ATOM 752 NH2 ARG A 46 -10.175 7.087 2.857 1.00 45.04 N ATOM 0 H ARG A 46 -8.615 -0.071 4.147 1.00 45.54 H new ATOM 0 HA ARG A 46 -10.066 0.070 1.582 1.00 34.12 H new ATOM 0 HB2 ARG A 46 -11.114 1.502 3.469 1.00 73.41 H new ATOM 0 HB3 ARG A 46 -9.669 2.487 3.347 1.00 73.41 H new ATOM 0 HG2 ARG A 46 -10.140 2.806 0.898 1.00 32.44 H new ATOM 0 HG3 ARG A 46 -11.627 1.901 1.093 1.00 32.44 H new ATOM 0 HD2 ARG A 46 -12.367 4.107 1.281 1.00 43.43 H new ATOM 0 HD3 ARG A 46 -12.200 3.630 2.959 1.00 43.43 H new ATOM 0 HE ARG A 46 -9.732 4.791 2.033 1.00 4.22 H new ATOM 0 HH11 ARG A 46 -13.027 5.612 3.055 1.00 52.41 H new ATOM 0 HH12 ARG A 46 -12.591 7.262 3.509 1.00 52.41 H new ATOM 0 HH21 ARG A 46 -9.213 6.920 2.562 1.00 45.04 H new ATOM 0 HH22 ARG A 46 -10.443 7.998 3.230 1.00 45.04 H new ATOM 766 N ILE A 47 -7.959 0.909 0.556 1.00 0.24 N ATOM 767 CA ILE A 47 -6.683 1.250 -0.047 1.00 31.24 C ATOM 768 C ILE A 47 -6.403 2.752 0.099 1.00 54.23 C ATOM 769 O ILE A 47 -7.200 3.596 -0.319 1.00 13.01 O ATOM 770 CB ILE A 47 -6.637 0.816 -1.534 1.00 40.25 C ATOM 771 CG1 ILE A 47 -5.248 1.076 -2.124 1.00 25.14 C ATOM 772 CG2 ILE A 47 -7.722 1.514 -2.352 1.00 12.13 C ATOM 773 CD1 ILE A 47 -5.126 0.706 -3.585 1.00 44.12 C ATOM 0 H ILE A 47 -8.674 0.607 -0.106 1.00 0.24 H new ATOM 0 HA ILE A 47 -5.900 0.705 0.480 1.00 31.24 H new ATOM 0 HB ILE A 47 -6.834 -0.255 -1.580 1.00 40.25 H new ATOM 0 HG12 ILE A 47 -5.005 2.132 -2.005 1.00 25.14 H new ATOM 0 HG13 ILE A 47 -4.510 0.512 -1.553 1.00 25.14 H new ATOM 0 HG21 ILE A 47 -7.662 1.187 -3.390 1.00 12.13 H new ATOM 0 HG22 ILE A 47 -8.702 1.260 -1.948 1.00 12.13 H new ATOM 0 HG23 ILE A 47 -7.577 2.593 -2.302 1.00 12.13 H new ATOM 0 HD11 ILE A 47 -4.114 0.919 -3.931 1.00 44.12 H new ATOM 0 HD12 ILE A 47 -5.336 -0.356 -3.710 1.00 44.12 H new ATOM 0 HD13 ILE A 47 -5.839 1.288 -4.169 1.00 44.12 H new ATOM 785 N GLY A 48 -5.286 3.079 0.732 1.00 44.02 N ATOM 786 CA GLY A 48 -4.946 4.468 0.966 1.00 63.43 C ATOM 787 C GLY A 48 -3.841 4.957 0.057 1.00 63.22 C ATOM 788 O GLY A 48 -2.832 5.482 0.523 1.00 23.31 O ATOM 0 H GLY A 48 -4.608 2.406 1.089 1.00 44.02 H new ATOM 0 HA2 GLY A 48 -5.832 5.085 0.819 1.00 63.43 H new ATOM 0 HA3 GLY A 48 -4.639 4.593 2.004 1.00 63.43 H new ATOM 792 N LEU A 49 -4.021 4.769 -1.242 1.00 73.44 N ATOM 793 CA LEU A 49 -3.057 5.245 -2.221 1.00 62.03 C ATOM 794 C LEU A 49 -3.144 6.758 -2.352 1.00 61.34 C ATOM 795 O LEU A 49 -4.166 7.294 -2.782 1.00 1.10 O ATOM 796 CB LEU A 49 -3.305 4.600 -3.585 1.00 70.24 C ATOM 797 CG LEU A 49 -2.458 5.165 -4.729 1.00 72.33 C ATOM 798 CD1 LEU A 49 -1.001 4.755 -4.585 1.00 64.22 C ATOM 799 CD2 LEU A 49 -3.008 4.715 -6.067 1.00 3.33 C ATOM 0 H LEU A 49 -4.827 4.289 -1.642 1.00 73.44 H new ATOM 0 HA LEU A 49 -2.061 4.968 -1.877 1.00 62.03 H new ATOM 0 HB2 LEU A 49 -3.114 3.530 -3.505 1.00 70.24 H new ATOM 0 HB3 LEU A 49 -4.358 4.717 -3.840 1.00 70.24 H new ATOM 0 HG LEU A 49 -2.507 6.253 -4.681 1.00 72.33 H new ATOM 0 HD11 LEU A 49 -0.423 5.170 -5.411 1.00 64.22 H new ATOM 0 HD12 LEU A 49 -0.608 5.133 -3.641 1.00 64.22 H new ATOM 0 HD13 LEU A 49 -0.926 3.668 -4.600 1.00 64.22 H new ATOM 0 HD21 LEU A 49 -2.395 5.125 -6.869 1.00 3.33 H new ATOM 0 HD22 LEU A 49 -2.993 3.626 -6.119 1.00 3.33 H new ATOM 0 HD23 LEU A 49 -4.033 5.069 -6.177 1.00 3.33 H new ATOM 811 N THR A 50 -2.075 7.438 -1.982 1.00 11.23 N ATOM 812 CA THR A 50 -2.024 8.885 -2.076 1.00 11.03 C ATOM 813 C THR A 50 -0.876 9.326 -2.981 1.00 13.21 C ATOM 814 O THR A 50 0.291 9.054 -2.696 1.00 4.03 O ATOM 815 CB THR A 50 -1.868 9.523 -0.680 1.00 51.42 C ATOM 816 OG1 THR A 50 -2.929 9.078 0.174 1.00 53.44 O ATOM 817 CG2 THR A 50 -1.892 11.045 -0.765 1.00 42.00 C ATOM 0 H THR A 50 -1.227 7.009 -1.612 1.00 11.23 H new ATOM 0 HA THR A 50 -2.965 9.224 -2.510 1.00 11.03 H new ATOM 0 HB THR A 50 -0.906 9.215 -0.271 1.00 51.42 H new ATOM 0 HG1 THR A 50 -2.827 9.483 1.061 1.00 53.44 H new ATOM 0 HG21 THR A 50 -1.780 11.467 0.234 1.00 42.00 H new ATOM 0 HG22 THR A 50 -1.073 11.387 -1.397 1.00 42.00 H new ATOM 0 HG23 THR A 50 -2.840 11.371 -1.192 1.00 42.00 H new ATOM 825 N VAL A 51 -1.218 9.975 -4.086 1.00 24.10 N ATOM 826 CA VAL A 51 -0.221 10.498 -5.007 1.00 13.14 C ATOM 827 C VAL A 51 0.128 11.938 -4.643 1.00 11.23 C ATOM 828 O VAL A 51 -0.759 12.784 -4.488 1.00 41.15 O ATOM 829 CB VAL A 51 -0.711 10.442 -6.471 1.00 62.13 C ATOM 830 CG1 VAL A 51 0.360 10.948 -7.426 1.00 54.02 C ATOM 831 CG2 VAL A 51 -1.128 9.027 -6.846 1.00 63.21 C ATOM 0 H VAL A 51 -2.183 10.152 -4.366 1.00 24.10 H new ATOM 0 HA VAL A 51 0.666 9.870 -4.920 1.00 13.14 H new ATOM 0 HB VAL A 51 -1.580 11.094 -6.557 1.00 62.13 H new ATOM 0 HG11 VAL A 51 -0.012 10.897 -8.449 1.00 54.02 H new ATOM 0 HG12 VAL A 51 0.608 11.981 -7.181 1.00 54.02 H new ATOM 0 HG13 VAL A 51 1.252 10.329 -7.333 1.00 54.02 H new ATOM 0 HG21 VAL A 51 -1.470 9.011 -7.881 1.00 63.21 H new ATOM 0 HG22 VAL A 51 -0.277 8.355 -6.734 1.00 63.21 H new ATOM 0 HG23 VAL A 51 -1.936 8.701 -6.192 1.00 63.21 H new ATOM 841 N ALA A 52 1.417 12.205 -4.495 1.00 32.15 N ATOM 842 CA ALA A 52 1.892 13.531 -4.123 1.00 62.54 C ATOM 843 C ALA A 52 2.373 14.298 -5.346 1.00 74.34 C ATOM 844 O ALA A 52 2.853 13.702 -6.313 1.00 64.52 O ATOM 845 CB ALA A 52 3.013 13.424 -3.102 1.00 70.43 C ATOM 0 H ALA A 52 2.158 11.516 -4.628 1.00 32.15 H new ATOM 0 HA ALA A 52 1.059 14.077 -3.679 1.00 62.54 H new ATOM 0 HB1 ALA A 52 3.357 14.423 -2.834 1.00 70.43 H new ATOM 0 HB2 ALA A 52 2.646 12.915 -2.211 1.00 70.43 H new ATOM 0 HB3 ALA A 52 3.841 12.857 -3.528 1.00 70.43 H new ATOM 851 N LYS A 53 2.261 15.621 -5.298 1.00 73.41 N ATOM 852 CA LYS A 53 2.719 16.463 -6.396 1.00 55.51 C ATOM 853 C LYS A 53 4.228 16.664 -6.322 1.00 24.53 C ATOM 854 O LYS A 53 4.712 17.719 -5.916 1.00 64.25 O ATOM 855 CB LYS A 53 2.006 17.826 -6.414 1.00 12.45 C ATOM 856 CG LYS A 53 0.597 17.791 -6.995 1.00 1.52 C ATOM 857 CD LYS A 53 -0.400 17.126 -6.057 1.00 21.43 C ATOM 858 CE LYS A 53 -0.573 17.918 -4.770 1.00 70.34 C ATOM 859 NZ LYS A 53 -1.634 17.346 -3.905 1.00 4.12 N ATOM 0 H LYS A 53 1.858 16.132 -4.513 1.00 73.41 H new ATOM 0 HA LYS A 53 2.470 15.947 -7.323 1.00 55.51 H new ATOM 0 HB2 LYS A 53 1.957 18.210 -5.395 1.00 12.45 H new ATOM 0 HB3 LYS A 53 2.607 18.529 -6.991 1.00 12.45 H new ATOM 0 HG2 LYS A 53 0.269 18.809 -7.208 1.00 1.52 H new ATOM 0 HG3 LYS A 53 0.611 17.256 -7.944 1.00 1.52 H new ATOM 0 HD2 LYS A 53 -1.363 17.030 -6.558 1.00 21.43 H new ATOM 0 HD3 LYS A 53 -0.061 16.117 -5.821 1.00 21.43 H new ATOM 0 HE2 LYS A 53 0.370 17.934 -4.224 1.00 70.34 H new ATOM 0 HE3 LYS A 53 -0.820 18.952 -5.011 1.00 70.34 H new ATOM 0 HZ1 LYS A 53 -1.720 17.915 -3.039 1.00 4.12 H new ATOM 0 HZ2 LYS A 53 -2.540 17.354 -4.416 1.00 4.12 H new ATOM 0 HZ3 LYS A 53 -1.387 16.368 -3.654 1.00 4.12 H new ATOM 873 N LYS A 54 4.955 15.610 -6.652 1.00 51.43 N ATOM 874 CA LYS A 54 6.407 15.662 -6.761 1.00 41.24 C ATOM 875 C LYS A 54 6.885 14.565 -7.701 1.00 60.44 C ATOM 876 O LYS A 54 8.059 14.201 -7.720 1.00 53.31 O ATOM 877 CB LYS A 54 7.071 15.530 -5.384 1.00 53.34 C ATOM 878 CG LYS A 54 6.557 14.368 -4.546 1.00 60.32 C ATOM 879 CD LYS A 54 7.297 14.275 -3.219 1.00 34.23 C ATOM 880 CE LYS A 54 7.263 15.597 -2.465 1.00 31.30 C ATOM 881 NZ LYS A 54 7.986 15.515 -1.169 1.00 32.31 N ATOM 0 H LYS A 54 4.557 14.693 -6.852 1.00 51.43 H new ATOM 0 HA LYS A 54 6.694 16.631 -7.169 1.00 41.24 H new ATOM 0 HB2 LYS A 54 8.146 15.415 -5.522 1.00 53.34 H new ATOM 0 HB3 LYS A 54 6.918 16.457 -4.830 1.00 53.34 H new ATOM 0 HG2 LYS A 54 5.490 14.493 -4.362 1.00 60.32 H new ATOM 0 HG3 LYS A 54 6.678 13.436 -5.099 1.00 60.32 H new ATOM 0 HD2 LYS A 54 6.848 13.494 -2.605 1.00 34.23 H new ATOM 0 HD3 LYS A 54 8.332 13.984 -3.398 1.00 34.23 H new ATOM 0 HE2 LYS A 54 7.709 16.378 -3.081 1.00 31.30 H new ATOM 0 HE3 LYS A 54 6.227 15.886 -2.285 1.00 31.30 H new ATOM 0 HZ1 LYS A 54 7.939 16.435 -0.687 1.00 32.31 H new ATOM 0 HZ2 LYS A 54 7.545 14.788 -0.571 1.00 32.31 H new ATOM 0 HZ3 LYS A 54 8.981 15.264 -1.342 1.00 32.31 H new ATOM 895 N ASN A 55 5.946 14.053 -8.484 1.00 75.34 N ATOM 896 CA ASN A 55 6.231 13.037 -9.486 1.00 73.20 C ATOM 897 C ASN A 55 5.230 13.151 -10.627 1.00 61.34 C ATOM 898 O ASN A 55 5.590 13.489 -11.754 1.00 43.31 O ATOM 899 CB ASN A 55 6.219 11.624 -8.869 1.00 10.11 C ATOM 900 CG ASN A 55 5.071 11.381 -7.902 1.00 31.42 C ATOM 901 OD1 ASN A 55 3.974 10.995 -8.300 1.00 43.31 O ATOM 902 ND2 ASN A 55 5.323 11.588 -6.620 1.00 75.43 N ATOM 0 H ASN A 55 4.965 14.331 -8.442 1.00 75.34 H new ATOM 0 HA ASN A 55 7.233 13.204 -9.881 1.00 73.20 H new ATOM 0 HB2 ASN A 55 6.166 10.889 -9.672 1.00 10.11 H new ATOM 0 HB3 ASN A 55 7.161 11.459 -8.347 1.00 10.11 H new ATOM 0 HD21 ASN A 55 4.594 11.427 -5.925 1.00 75.43 H new ATOM 0 HD22 ASN A 55 6.246 11.909 -6.327 1.00 75.43 H new ATOM 909 N VAL A 56 3.970 12.900 -10.323 1.00 22.43 N ATOM 910 CA VAL A 56 2.903 13.082 -11.289 1.00 23.01 C ATOM 911 C VAL A 56 2.124 14.347 -10.959 1.00 72.21 C ATOM 912 O VAL A 56 1.530 14.452 -9.886 1.00 2.45 O ATOM 913 CB VAL A 56 1.937 11.878 -11.302 1.00 42.13 C ATOM 914 CG1 VAL A 56 0.914 12.020 -12.420 1.00 4.21 C ATOM 915 CG2 VAL A 56 2.706 10.570 -11.435 1.00 24.54 C ATOM 0 H VAL A 56 3.660 12.568 -9.410 1.00 22.43 H new ATOM 0 HA VAL A 56 3.357 13.166 -12.276 1.00 23.01 H new ATOM 0 HB VAL A 56 1.402 11.861 -10.353 1.00 42.13 H new ATOM 0 HG11 VAL A 56 0.243 11.161 -12.411 1.00 4.21 H new ATOM 0 HG12 VAL A 56 0.337 12.933 -12.271 1.00 4.21 H new ATOM 0 HG13 VAL A 56 1.428 12.069 -13.380 1.00 4.21 H new ATOM 0 HG21 VAL A 56 2.005 9.735 -11.442 1.00 24.54 H new ATOM 0 HG22 VAL A 56 3.274 10.575 -12.365 1.00 24.54 H new ATOM 0 HG23 VAL A 56 3.390 10.463 -10.593 1.00 24.54 H new ATOM 925 N ARG A 57 2.156 15.318 -11.861 1.00 45.44 N ATOM 926 CA ARG A 57 1.413 16.556 -11.665 1.00 64.51 C ATOM 927 C ARG A 57 0.202 16.591 -12.581 1.00 62.41 C ATOM 928 O ARG A 57 -0.937 16.497 -12.129 1.00 50.10 O ATOM 929 CB ARG A 57 2.287 17.792 -11.926 1.00 54.44 C ATOM 930 CG ARG A 57 3.418 17.998 -10.930 1.00 34.42 C ATOM 931 CD ARG A 57 4.584 17.056 -11.181 1.00 25.13 C ATOM 932 NE ARG A 57 5.749 17.408 -10.374 1.00 54.52 N ATOM 933 CZ ARG A 57 6.947 16.845 -10.506 1.00 60.22 C ATOM 934 NH1 ARG A 57 7.134 15.852 -11.364 1.00 2.35 N ATOM 935 NH2 ARG A 57 7.959 17.260 -9.758 1.00 14.43 N ATOM 0 H ARG A 57 2.685 15.274 -12.732 1.00 45.44 H new ATOM 0 HA ARG A 57 1.090 16.581 -10.624 1.00 64.51 H new ATOM 0 HB2 ARG A 57 2.713 17.713 -12.926 1.00 54.44 H new ATOM 0 HB3 ARG A 57 1.651 18.677 -11.919 1.00 54.44 H new ATOM 0 HG2 ARG A 57 3.767 19.029 -10.988 1.00 34.42 H new ATOM 0 HG3 ARG A 57 3.041 17.845 -9.919 1.00 34.42 H new ATOM 0 HD2 ARG A 57 4.281 16.034 -10.955 1.00 25.13 H new ATOM 0 HD3 ARG A 57 4.852 17.083 -12.237 1.00 25.13 H new ATOM 0 HE ARG A 57 5.637 18.132 -9.664 1.00 54.52 H new ATOM 0 HH11 ARG A 57 6.356 15.514 -11.930 1.00 2.35 H new ATOM 0 HH12 ARG A 57 8.056 15.426 -11.458 1.00 2.35 H new ATOM 0 HH21 ARG A 57 7.819 18.011 -9.082 1.00 14.43 H new ATOM 0 HH22 ARG A 57 8.878 16.829 -9.859 1.00 14.43 H new ATOM 949 N ARG A 58 0.457 16.710 -13.877 1.00 21.15 N ATOM 950 CA ARG A 58 -0.614 16.830 -14.854 1.00 45.30 C ATOM 951 C ARG A 58 -0.395 15.875 -16.016 1.00 73.04 C ATOM 952 O ARG A 58 0.381 16.150 -16.934 1.00 22.21 O ATOM 953 CB ARG A 58 -0.724 18.275 -15.354 1.00 33.44 C ATOM 954 CG ARG A 58 -1.158 19.249 -14.269 1.00 73.04 C ATOM 955 CD ARG A 58 -2.530 18.884 -13.724 1.00 12.34 C ATOM 956 NE ARG A 58 -2.742 19.384 -12.367 1.00 72.14 N ATOM 957 CZ ARG A 58 -3.682 18.922 -11.547 1.00 0.50 C ATOM 958 NH1 ARG A 58 -4.519 17.976 -11.956 1.00 42.42 N ATOM 959 NH2 ARG A 58 -3.782 19.408 -10.316 1.00 63.44 N ATOM 0 H ARG A 58 1.396 16.726 -14.275 1.00 21.15 H new ATOM 0 HA ARG A 58 -1.552 16.561 -14.368 1.00 45.30 H new ATOM 0 HB2 ARG A 58 0.240 18.590 -15.752 1.00 33.44 H new ATOM 0 HB3 ARG A 58 -1.437 18.315 -16.177 1.00 33.44 H new ATOM 0 HG2 ARG A 58 -0.429 19.245 -13.459 1.00 73.04 H new ATOM 0 HG3 ARG A 58 -1.181 20.261 -14.672 1.00 73.04 H new ATOM 0 HD2 ARG A 58 -3.299 19.289 -14.382 1.00 12.34 H new ATOM 0 HD3 ARG A 58 -2.644 17.800 -13.731 1.00 12.34 H new ATOM 0 HE ARG A 58 -2.134 20.130 -12.029 1.00 72.14 H new ATOM 0 HH11 ARG A 58 -4.442 17.601 -12.902 1.00 42.42 H new ATOM 0 HH12 ARG A 58 -5.239 17.624 -11.325 1.00 42.42 H new ATOM 0 HH21 ARG A 58 -3.139 20.134 -10.001 1.00 63.44 H new ATOM 0 HH22 ARG A 58 -4.502 19.055 -9.685 1.00 63.44 H new ATOM 973 N ALA A 59 -1.078 14.741 -15.946 1.00 24.21 N ATOM 974 CA ALA A 59 -1.011 13.715 -16.971 1.00 31.32 C ATOM 975 C ALA A 59 -2.128 12.712 -16.735 1.00 5.40 C ATOM 976 O ALA A 59 -2.671 12.638 -15.633 1.00 35.12 O ATOM 977 CB ALA A 59 0.343 13.018 -16.950 1.00 63.30 C ATOM 0 H ALA A 59 -1.698 14.508 -15.170 1.00 24.21 H new ATOM 0 HA ALA A 59 -1.132 14.175 -17.952 1.00 31.32 H new ATOM 0 HB1 ALA A 59 0.371 12.253 -17.726 1.00 63.30 H new ATOM 0 HB2 ALA A 59 1.131 13.749 -17.132 1.00 63.30 H new ATOM 0 HB3 ALA A 59 0.498 12.553 -15.977 1.00 63.30 H new ATOM 983 N HIS A 60 -2.454 11.921 -17.746 1.00 20.14 N ATOM 984 CA HIS A 60 -3.530 10.939 -17.626 1.00 52.22 C ATOM 985 C HIS A 60 -3.096 9.791 -16.725 1.00 64.14 C ATOM 986 O HIS A 60 -3.908 8.991 -16.269 1.00 25.35 O ATOM 987 CB HIS A 60 -3.930 10.408 -19.002 1.00 54.15 C ATOM 988 CG HIS A 60 -4.414 11.475 -19.935 1.00 21.20 C ATOM 989 ND1 HIS A 60 -3.606 12.069 -20.879 1.00 53.53 N ATOM 990 CD2 HIS A 60 -5.624 12.065 -20.055 1.00 24.53 C ATOM 991 CE1 HIS A 60 -4.299 12.980 -21.537 1.00 40.51 C ATOM 992 NE2 HIS A 60 -5.528 12.995 -21.057 1.00 70.42 N ATOM 0 H HIS A 60 -1.994 11.937 -18.656 1.00 20.14 H new ATOM 0 HA HIS A 60 -4.396 11.429 -17.181 1.00 52.22 H new ATOM 0 HB2 HIS A 60 -3.074 9.904 -19.451 1.00 54.15 H new ATOM 0 HB3 HIS A 60 -4.713 9.660 -18.881 1.00 54.15 H new ATOM 0 HD2 HIS A 60 -6.504 11.844 -19.469 1.00 24.53 H new ATOM 0 HE1 HIS A 60 -3.924 13.606 -22.333 1.00 40.51 H new ATOM 0 HE2 HIS A 60 -6.283 13.600 -21.379 1.00 70.42 H new ATOM 1001 N GLU A 61 -1.803 9.741 -16.459 1.00 43.21 N ATOM 1002 CA GLU A 61 -1.227 8.728 -15.593 1.00 13.45 C ATOM 1003 C GLU A 61 -1.519 9.032 -14.123 1.00 53.11 C ATOM 1004 O GLU A 61 -1.210 8.234 -13.241 1.00 24.04 O ATOM 1005 CB GLU A 61 0.283 8.625 -15.832 1.00 3.25 C ATOM 1006 CG GLU A 61 0.660 7.904 -17.124 1.00 43.02 C ATOM 1007 CD GLU A 61 0.003 8.497 -18.357 1.00 42.23 C ATOM 1008 OE1 GLU A 61 0.399 9.607 -18.774 1.00 10.44 O ATOM 1009 OE2 GLU A 61 -0.919 7.859 -18.906 1.00 11.12 O ATOM 0 H GLU A 61 -1.123 10.401 -16.837 1.00 43.21 H new ATOM 0 HA GLU A 61 -1.687 7.770 -15.834 1.00 13.45 H new ATOM 0 HB2 GLU A 61 0.707 9.629 -15.852 1.00 3.25 H new ATOM 0 HB3 GLU A 61 0.739 8.103 -14.991 1.00 3.25 H new ATOM 0 HG2 GLU A 61 1.743 7.936 -17.247 1.00 43.02 H new ATOM 0 HG3 GLU A 61 0.379 6.854 -17.041 1.00 43.02 H new ATOM 1016 N ARG A 62 -2.134 10.186 -13.874 1.00 11.24 N ATOM 1017 CA ARG A 62 -2.508 10.584 -12.520 1.00 12.53 C ATOM 1018 C ARG A 62 -3.564 9.623 -11.977 1.00 70.43 C ATOM 1019 O ARG A 62 -3.474 9.159 -10.841 1.00 12.32 O ATOM 1020 CB ARG A 62 -3.048 12.023 -12.527 1.00 61.41 C ATOM 1021 CG ARG A 62 -2.761 12.821 -11.257 1.00 54.24 C ATOM 1022 CD ARG A 62 -3.438 12.231 -10.028 1.00 53.03 C ATOM 1023 NE ARG A 62 -4.896 12.183 -10.163 1.00 64.20 N ATOM 1024 CZ ARG A 62 -5.717 11.797 -9.187 1.00 61.30 C ATOM 1025 NH1 ARG A 62 -5.225 11.458 -8.001 1.00 32.15 N ATOM 1026 NH2 ARG A 62 -7.029 11.761 -9.398 1.00 44.23 N ATOM 0 H ARG A 62 -2.384 10.863 -14.595 1.00 11.24 H new ATOM 0 HA ARG A 62 -1.629 10.545 -11.876 1.00 12.53 H new ATOM 0 HB2 ARG A 62 -2.619 12.553 -13.377 1.00 61.41 H new ATOM 0 HB3 ARG A 62 -4.126 11.991 -12.683 1.00 61.41 H new ATOM 0 HG2 ARG A 62 -1.684 12.858 -11.091 1.00 54.24 H new ATOM 0 HG3 ARG A 62 -3.098 13.849 -11.394 1.00 54.24 H new ATOM 0 HD2 ARG A 62 -3.058 11.224 -9.856 1.00 53.03 H new ATOM 0 HD3 ARG A 62 -3.176 12.825 -9.152 1.00 53.03 H new ATOM 0 HE ARG A 62 -5.306 12.461 -11.055 1.00 64.20 H new ATOM 0 HH11 ARG A 62 -4.219 11.493 -7.837 1.00 32.15 H new ATOM 0 HH12 ARG A 62 -5.853 11.163 -7.254 1.00 32.15 H new ATOM 0 HH21 ARG A 62 -7.407 12.029 -10.307 1.00 44.23 H new ATOM 0 HH22 ARG A 62 -7.658 11.466 -8.651 1.00 44.23 H new ATOM 1040 N ASN A 63 -4.559 9.316 -12.805 1.00 23.23 N ATOM 1041 CA ASN A 63 -5.624 8.398 -12.410 1.00 54.53 C ATOM 1042 C ASN A 63 -5.225 6.961 -12.718 1.00 55.22 C ATOM 1043 O ASN A 63 -5.836 6.018 -12.219 1.00 52.24 O ATOM 1044 CB ASN A 63 -6.949 8.741 -13.112 1.00 4.43 C ATOM 1045 CG ASN A 63 -6.880 8.593 -14.624 1.00 52.23 C ATOM 1046 OD1 ASN A 63 -7.075 7.505 -15.164 1.00 45.00 O ATOM 1047 ND2 ASN A 63 -6.636 9.693 -15.321 1.00 4.44 N ATOM 0 H ASN A 63 -4.650 9.688 -13.750 1.00 23.23 H new ATOM 0 HA ASN A 63 -5.774 8.504 -11.336 1.00 54.53 H new ATOM 0 HB2 ASN A 63 -7.736 8.094 -12.725 1.00 4.43 H new ATOM 0 HB3 ASN A 63 -7.229 9.765 -12.866 1.00 4.43 H new ATOM 0 HD21 ASN A 63 -6.605 9.655 -16.340 1.00 4.44 H new ATOM 0 HD22 ASN A 63 -6.479 10.578 -14.839 1.00 4.44 H new ATOM 1054 N ARG A 64 -4.185 6.809 -13.530 1.00 72.41 N ATOM 1055 CA ARG A 64 -3.681 5.493 -13.919 1.00 14.51 C ATOM 1056 C ARG A 64 -3.307 4.670 -12.691 1.00 23.41 C ATOM 1057 O ARG A 64 -3.703 3.510 -12.560 1.00 71.34 O ATOM 1058 CB ARG A 64 -2.445 5.654 -14.806 1.00 5.24 C ATOM 1059 CG ARG A 64 -1.931 4.356 -15.406 1.00 43.42 C ATOM 1060 CD ARG A 64 -2.647 4.037 -16.702 1.00 21.44 C ATOM 1061 NE ARG A 64 -2.439 5.090 -17.696 1.00 24.31 N ATOM 1062 CZ ARG A 64 -3.193 5.255 -18.777 1.00 33.51 C ATOM 1063 NH1 ARG A 64 -4.215 4.441 -19.012 1.00 53.54 N ATOM 1064 NH2 ARG A 64 -2.926 6.245 -19.621 1.00 14.35 N ATOM 0 H ARG A 64 -3.668 7.589 -13.937 1.00 72.41 H new ATOM 0 HA ARG A 64 -4.469 4.975 -14.466 1.00 14.51 H new ATOM 0 HB2 ARG A 64 -2.680 6.346 -15.615 1.00 5.24 H new ATOM 0 HB3 ARG A 64 -1.648 6.110 -14.219 1.00 5.24 H new ATOM 0 HG2 ARG A 64 -0.859 4.435 -15.588 1.00 43.42 H new ATOM 0 HG3 ARG A 64 -2.075 3.541 -14.697 1.00 43.42 H new ATOM 0 HD2 ARG A 64 -2.286 3.086 -17.095 1.00 21.44 H new ATOM 0 HD3 ARG A 64 -3.714 3.919 -16.511 1.00 21.44 H new ATOM 0 HE ARG A 64 -1.666 5.739 -17.550 1.00 24.31 H new ATOM 0 HH11 ARG A 64 -4.425 3.684 -18.361 1.00 53.54 H new ATOM 0 HH12 ARG A 64 -4.791 4.572 -19.844 1.00 53.54 H new ATOM 0 HH21 ARG A 64 -2.145 6.875 -19.438 1.00 14.35 H new ATOM 0 HH22 ARG A 64 -3.502 6.376 -20.452 1.00 14.35 H new ATOM 1078 N ILE A 65 -2.549 5.291 -11.794 1.00 23.02 N ATOM 1079 CA ILE A 65 -2.036 4.615 -10.611 1.00 64.23 C ATOM 1080 C ILE A 65 -3.175 4.150 -9.704 1.00 3.24 C ATOM 1081 O ILE A 65 -3.159 3.025 -9.198 1.00 54.12 O ATOM 1082 CB ILE A 65 -1.088 5.535 -9.807 1.00 14.23 C ATOM 1083 CG1 ILE A 65 -0.009 6.131 -10.722 1.00 40.12 C ATOM 1084 CG2 ILE A 65 -0.441 4.768 -8.659 1.00 25.21 C ATOM 1085 CD1 ILE A 65 0.867 5.094 -11.396 1.00 62.24 C ATOM 0 H ILE A 65 -2.275 6.271 -11.867 1.00 23.02 H new ATOM 0 HA ILE A 65 -1.478 3.745 -10.957 1.00 64.23 H new ATOM 0 HB ILE A 65 -1.679 6.350 -9.390 1.00 14.23 H new ATOM 0 HG12 ILE A 65 -0.491 6.738 -11.488 1.00 40.12 H new ATOM 0 HG13 ILE A 65 0.622 6.799 -10.136 1.00 40.12 H new ATOM 0 HG21 ILE A 65 0.222 5.433 -8.106 1.00 25.21 H new ATOM 0 HG22 ILE A 65 -1.216 4.390 -7.992 1.00 25.21 H new ATOM 0 HG23 ILE A 65 0.133 3.932 -9.058 1.00 25.21 H new ATOM 0 HD11 ILE A 65 1.604 5.594 -12.025 1.00 62.24 H new ATOM 0 HD12 ILE A 65 1.379 4.502 -10.638 1.00 62.24 H new ATOM 0 HD13 ILE A 65 0.249 4.440 -12.011 1.00 62.24 H new ATOM 1097 N LYS A 66 -4.180 5.001 -9.516 1.00 32.44 N ATOM 1098 CA LYS A 66 -5.270 4.671 -8.609 1.00 13.10 C ATOM 1099 C LYS A 66 -6.305 3.778 -9.281 1.00 71.23 C ATOM 1100 O LYS A 66 -7.137 3.183 -8.609 1.00 61.44 O ATOM 1101 CB LYS A 66 -5.921 5.932 -8.029 1.00 52.43 C ATOM 1102 CG LYS A 66 -6.667 6.794 -9.034 1.00 34.05 C ATOM 1103 CD LYS A 66 -7.263 8.020 -8.354 1.00 20.02 C ATOM 1104 CE LYS A 66 -8.229 7.630 -7.239 1.00 21.21 C ATOM 1105 NZ LYS A 66 -8.639 8.802 -6.419 1.00 51.24 N ATOM 0 H LYS A 66 -4.261 5.910 -9.972 1.00 32.44 H new ATOM 0 HA LYS A 66 -4.840 4.111 -7.779 1.00 13.10 H new ATOM 0 HB2 LYS A 66 -6.615 5.635 -7.243 1.00 52.43 H new ATOM 0 HB3 LYS A 66 -5.147 6.538 -7.558 1.00 52.43 H new ATOM 0 HG2 LYS A 66 -5.988 7.106 -9.828 1.00 34.05 H new ATOM 0 HG3 LYS A 66 -7.459 6.211 -9.503 1.00 34.05 H new ATOM 0 HD2 LYS A 66 -6.462 8.635 -7.944 1.00 20.02 H new ATOM 0 HD3 LYS A 66 -7.785 8.628 -9.092 1.00 20.02 H new ATOM 0 HE2 LYS A 66 -9.114 7.164 -7.673 1.00 21.21 H new ATOM 0 HE3 LYS A 66 -7.759 6.885 -6.597 1.00 21.21 H new ATOM 0 HZ1 LYS A 66 -9.295 8.492 -5.674 1.00 51.24 H new ATOM 0 HZ2 LYS A 66 -7.798 9.232 -5.983 1.00 51.24 H new ATOM 0 HZ3 LYS A 66 -9.111 9.502 -7.026 1.00 51.24 H new ATOM 1119 N ARG A 67 -6.251 3.683 -10.605 1.00 72.24 N ATOM 1120 CA ARG A 67 -7.086 2.736 -11.337 1.00 73.24 C ATOM 1121 C ARG A 67 -6.567 1.317 -11.139 1.00 24.00 C ATOM 1122 O ARG A 67 -7.300 0.429 -10.701 1.00 40.33 O ATOM 1123 CB ARG A 67 -7.100 3.059 -12.834 1.00 53.11 C ATOM 1124 CG ARG A 67 -8.242 3.957 -13.279 1.00 51.15 C ATOM 1125 CD ARG A 67 -8.197 4.173 -14.784 1.00 41.43 C ATOM 1126 NE ARG A 67 -9.428 4.769 -15.306 1.00 30.53 N ATOM 1127 CZ ARG A 67 -9.567 5.223 -16.552 1.00 32.25 C ATOM 1128 NH1 ARG A 67 -8.541 5.186 -17.396 1.00 15.34 N ATOM 1129 NH2 ARG A 67 -10.733 5.712 -16.948 1.00 42.43 N ATOM 0 H ARG A 67 -5.639 4.249 -11.193 1.00 72.24 H new ATOM 0 HA ARG A 67 -8.101 2.816 -10.948 1.00 73.24 H new ATOM 0 HB2 ARG A 67 -6.156 3.537 -13.098 1.00 53.11 H new ATOM 0 HB3 ARG A 67 -7.151 2.125 -13.393 1.00 53.11 H new ATOM 0 HG2 ARG A 67 -9.195 3.508 -12.999 1.00 51.15 H new ATOM 0 HG3 ARG A 67 -8.178 4.917 -12.766 1.00 51.15 H new ATOM 0 HD2 ARG A 67 -7.353 4.818 -15.029 1.00 41.43 H new ATOM 0 HD3 ARG A 67 -8.022 3.218 -15.279 1.00 41.43 H new ATOM 0 HE ARG A 67 -10.229 4.841 -14.678 1.00 30.53 H new ATOM 0 HH11 ARG A 67 -7.643 4.809 -17.091 1.00 15.34 H new ATOM 0 HH12 ARG A 67 -8.651 5.534 -18.348 1.00 15.34 H new ATOM 0 HH21 ARG A 67 -11.521 5.740 -16.300 1.00 42.43 H new ATOM 0 HH22 ARG A 67 -10.843 6.060 -17.900 1.00 42.43 H new ATOM 1143 N LEU A 68 -5.287 1.132 -11.451 1.00 12.03 N ATOM 1144 CA LEU A 68 -4.643 -0.178 -11.395 1.00 31.11 C ATOM 1145 C LEU A 68 -4.765 -0.779 -9.995 1.00 1.20 C ATOM 1146 O LEU A 68 -5.143 -1.941 -9.833 1.00 21.31 O ATOM 1147 CB LEU A 68 -3.162 -0.031 -11.793 1.00 3.34 C ATOM 1148 CG LEU A 68 -2.464 -1.291 -12.343 1.00 60.32 C ATOM 1149 CD1 LEU A 68 -2.305 -2.364 -11.273 1.00 41.34 C ATOM 1150 CD2 LEU A 68 -3.229 -1.841 -13.541 1.00 2.43 C ATOM 0 H LEU A 68 -4.667 1.885 -11.750 1.00 12.03 H new ATOM 0 HA LEU A 68 -5.139 -0.853 -12.093 1.00 31.11 H new ATOM 0 HB2 LEU A 68 -3.088 0.754 -12.545 1.00 3.34 H new ATOM 0 HB3 LEU A 68 -2.607 0.311 -10.919 1.00 3.34 H new ATOM 0 HG LEU A 68 -1.464 -0.999 -12.664 1.00 60.32 H new ATOM 0 HD11 LEU A 68 -1.809 -3.235 -11.702 1.00 41.34 H new ATOM 0 HD12 LEU A 68 -1.705 -1.972 -10.451 1.00 41.34 H new ATOM 0 HD13 LEU A 68 -3.287 -2.653 -10.899 1.00 41.34 H new ATOM 0 HD21 LEU A 68 -2.724 -2.730 -13.918 1.00 2.43 H new ATOM 0 HD22 LEU A 68 -4.243 -2.101 -13.237 1.00 2.43 H new ATOM 0 HD23 LEU A 68 -3.268 -1.086 -14.326 1.00 2.43 H new ATOM 1162 N THR A 69 -4.462 0.030 -8.990 1.00 52.20 N ATOM 1163 CA THR A 69 -4.454 -0.425 -7.605 1.00 62.03 C ATOM 1164 C THR A 69 -5.866 -0.676 -7.073 1.00 71.40 C ATOM 1165 O THR A 69 -6.098 -1.621 -6.322 1.00 2.53 O ATOM 1166 CB THR A 69 -3.742 0.600 -6.708 1.00 34.02 C ATOM 1167 OG1 THR A 69 -4.265 1.912 -6.956 1.00 34.30 O ATOM 1168 CG2 THR A 69 -2.241 0.590 -6.959 1.00 4.50 C ATOM 0 H THR A 69 -4.216 1.013 -9.109 1.00 52.20 H new ATOM 0 HA THR A 69 -3.914 -1.371 -7.583 1.00 62.03 H new ATOM 0 HB THR A 69 -3.921 0.327 -5.668 1.00 34.02 H new ATOM 0 HG1 THR A 69 -3.804 2.308 -7.724 1.00 34.30 H new ATOM 0 HG21 THR A 69 -1.759 1.324 -6.313 1.00 4.50 H new ATOM 0 HG22 THR A 69 -1.843 -0.401 -6.743 1.00 4.50 H new ATOM 0 HG23 THR A 69 -2.045 0.841 -8.001 1.00 4.50 H new ATOM 1176 N ARG A 70 -6.809 0.163 -7.478 1.00 53.54 N ATOM 1177 CA ARG A 70 -8.184 0.063 -6.997 1.00 14.02 C ATOM 1178 C ARG A 70 -8.834 -1.227 -7.478 1.00 54.54 C ATOM 1179 O ARG A 70 -9.459 -1.951 -6.700 1.00 3.23 O ATOM 1180 CB ARG A 70 -9.004 1.252 -7.492 1.00 41.33 C ATOM 1181 CG ARG A 70 -10.426 1.293 -6.960 1.00 31.20 C ATOM 1182 CD ARG A 70 -11.293 2.229 -7.787 1.00 21.53 C ATOM 1183 NE ARG A 70 -11.493 1.725 -9.150 1.00 14.34 N ATOM 1184 CZ ARG A 70 -11.504 2.488 -10.244 1.00 14.23 C ATOM 1185 NH1 ARG A 70 -11.302 3.796 -10.148 1.00 45.42 N ATOM 1186 NH2 ARG A 70 -11.708 1.937 -11.433 1.00 34.12 N ATOM 0 H ARG A 70 -6.649 0.923 -8.140 1.00 53.54 H new ATOM 0 HA ARG A 70 -8.159 0.063 -5.907 1.00 14.02 H new ATOM 0 HB2 ARG A 70 -8.495 2.173 -7.208 1.00 41.33 H new ATOM 0 HB3 ARG A 70 -9.036 1.228 -8.581 1.00 41.33 H new ATOM 0 HG2 ARG A 70 -10.852 0.290 -6.974 1.00 31.20 H new ATOM 0 HG3 ARG A 70 -10.419 1.622 -5.921 1.00 31.20 H new ATOM 0 HD2 ARG A 70 -12.260 2.354 -7.300 1.00 21.53 H new ATOM 0 HD3 ARG A 70 -10.828 3.214 -7.828 1.00 21.53 H new ATOM 0 HE ARG A 70 -11.633 0.722 -9.269 1.00 14.34 H new ATOM 0 HH11 ARG A 70 -11.138 4.221 -9.235 1.00 45.42 H new ATOM 0 HH12 ARG A 70 -11.311 4.376 -10.987 1.00 45.42 H new ATOM 0 HH21 ARG A 70 -11.856 0.931 -11.510 1.00 34.12 H new ATOM 0 HH22 ARG A 70 -11.717 2.519 -12.270 1.00 34.12 H new ATOM 1200 N GLU A 71 -8.674 -1.509 -8.760 1.00 20.42 N ATOM 1201 CA GLU A 71 -9.358 -2.628 -9.388 1.00 12.21 C ATOM 1202 C GLU A 71 -8.779 -3.962 -8.920 1.00 35.42 C ATOM 1203 O GLU A 71 -9.500 -4.953 -8.807 1.00 24.44 O ATOM 1204 CB GLU A 71 -9.273 -2.494 -10.908 1.00 70.14 C ATOM 1205 CG GLU A 71 -10.205 -3.425 -11.662 1.00 32.22 C ATOM 1206 CD GLU A 71 -10.399 -3.002 -13.101 1.00 2.30 C ATOM 1207 OE1 GLU A 71 -11.216 -2.089 -13.345 1.00 54.21 O ATOM 1208 OE2 GLU A 71 -9.743 -3.579 -13.992 1.00 52.05 O ATOM 0 H GLU A 71 -8.074 -0.976 -9.389 1.00 20.42 H new ATOM 0 HA GLU A 71 -10.407 -2.609 -9.091 1.00 12.21 H new ATOM 0 HB2 GLU A 71 -9.501 -1.465 -11.185 1.00 70.14 H new ATOM 0 HB3 GLU A 71 -8.248 -2.689 -11.223 1.00 70.14 H new ATOM 0 HG2 GLU A 71 -9.803 -4.438 -11.634 1.00 32.22 H new ATOM 0 HG3 GLU A 71 -11.172 -3.452 -11.160 1.00 32.22 H new ATOM 1215 N SER A 72 -7.485 -3.980 -8.628 1.00 31.34 N ATOM 1216 CA SER A 72 -6.836 -5.192 -8.149 1.00 73.42 C ATOM 1217 C SER A 72 -7.169 -5.440 -6.676 1.00 41.12 C ATOM 1218 O SER A 72 -7.405 -6.580 -6.267 1.00 31.42 O ATOM 1219 CB SER A 72 -5.322 -5.098 -8.360 1.00 11.25 C ATOM 1220 OG SER A 72 -4.826 -3.842 -7.933 1.00 32.12 O ATOM 0 H SER A 72 -6.867 -3.173 -8.714 1.00 31.34 H new ATOM 0 HA SER A 72 -7.212 -6.039 -8.723 1.00 73.42 H new ATOM 0 HB2 SER A 72 -4.824 -5.896 -7.809 1.00 11.25 H new ATOM 0 HB3 SER A 72 -5.089 -5.246 -9.414 1.00 11.25 H new ATOM 0 HG SER A 72 -4.838 -3.213 -8.684 1.00 32.12 H new ATOM 1226 N PHE A 73 -7.207 -4.364 -5.891 1.00 21.12 N ATOM 1227 CA PHE A 73 -7.564 -4.451 -4.475 1.00 43.41 C ATOM 1228 C PHE A 73 -8.985 -4.989 -4.315 1.00 0.01 C ATOM 1229 O PHE A 73 -9.262 -5.803 -3.433 1.00 65.13 O ATOM 1230 CB PHE A 73 -7.445 -3.071 -3.818 1.00 60.04 C ATOM 1231 CG PHE A 73 -7.675 -3.082 -2.330 1.00 23.42 C ATOM 1232 CD1 PHE A 73 -6.696 -3.550 -1.466 1.00 62.01 C ATOM 1233 CD2 PHE A 73 -8.867 -2.620 -1.795 1.00 73.53 C ATOM 1234 CE1 PHE A 73 -6.903 -3.556 -0.100 1.00 52.55 C ATOM 1235 CE2 PHE A 73 -9.079 -2.625 -0.430 1.00 24.10 C ATOM 1236 CZ PHE A 73 -8.095 -3.093 0.419 1.00 1.24 C ATOM 0 H PHE A 73 -6.994 -3.420 -6.212 1.00 21.12 H new ATOM 0 HA PHE A 73 -6.876 -5.138 -3.983 1.00 43.41 H new ATOM 0 HB2 PHE A 73 -6.453 -2.668 -4.019 1.00 60.04 H new ATOM 0 HB3 PHE A 73 -8.164 -2.395 -4.282 1.00 60.04 H new ATOM 0 HD1 PHE A 73 -5.761 -3.914 -1.866 1.00 62.01 H new ATOM 0 HD2 PHE A 73 -9.640 -2.251 -2.453 1.00 73.53 H new ATOM 0 HE1 PHE A 73 -6.132 -3.923 0.561 1.00 52.55 H new ATOM 0 HE2 PHE A 73 -10.013 -2.263 -0.027 1.00 24.10 H new ATOM 0 HZ PHE A 73 -8.258 -3.097 1.487 1.00 1.24 H new ATOM 1246 N ARG A 74 -9.869 -4.548 -5.205 1.00 65.50 N ATOM 1247 CA ARG A 74 -11.278 -4.935 -5.172 1.00 13.12 C ATOM 1248 C ARG A 74 -11.460 -6.422 -5.497 1.00 14.22 C ATOM 1249 O ARG A 74 -12.530 -6.991 -5.284 1.00 61.44 O ATOM 1250 CB ARG A 74 -12.071 -4.072 -6.165 1.00 55.13 C ATOM 1251 CG ARG A 74 -13.568 -4.350 -6.181 1.00 3.34 C ATOM 1252 CD ARG A 74 -14.289 -3.488 -7.206 1.00 33.33 C ATOM 1253 NE ARG A 74 -15.710 -3.821 -7.300 1.00 30.23 N ATOM 1254 CZ ARG A 74 -16.638 -3.005 -7.799 1.00 63.44 C ATOM 1255 NH1 ARG A 74 -16.299 -1.793 -8.223 1.00 20.43 N ATOM 1256 NH2 ARG A 74 -17.907 -3.394 -7.859 1.00 71.14 N ATOM 0 H ARG A 74 -9.631 -3.914 -5.968 1.00 65.50 H new ATOM 0 HA ARG A 74 -11.655 -4.771 -4.163 1.00 13.12 H new ATOM 0 HB2 ARG A 74 -11.911 -3.021 -5.923 1.00 55.13 H new ATOM 0 HB3 ARG A 74 -11.673 -4.233 -7.167 1.00 55.13 H new ATOM 0 HG2 ARG A 74 -13.740 -5.403 -6.405 1.00 3.34 H new ATOM 0 HG3 ARG A 74 -13.984 -4.163 -5.191 1.00 3.34 H new ATOM 0 HD2 ARG A 74 -14.180 -2.437 -6.937 1.00 33.33 H new ATOM 0 HD3 ARG A 74 -13.821 -3.617 -8.182 1.00 33.33 H new ATOM 0 HE ARG A 74 -16.010 -4.736 -6.962 1.00 30.23 H new ATOM 0 HH11 ARG A 74 -15.328 -1.486 -8.167 1.00 20.43 H new ATOM 0 HH12 ARG A 74 -17.010 -1.169 -8.605 1.00 20.43 H new ATOM 0 HH21 ARG A 74 -18.173 -4.319 -7.523 1.00 71.14 H new ATOM 0 HH22 ARG A 74 -18.615 -2.767 -8.241 1.00 71.14 H new ATOM 1270 N LEU A 75 -10.415 -7.055 -6.006 1.00 35.24 N ATOM 1271 CA LEU A 75 -10.500 -8.465 -6.360 1.00 72.30 C ATOM 1272 C LEU A 75 -9.676 -9.322 -5.398 1.00 44.52 C ATOM 1273 O LEU A 75 -9.754 -10.551 -5.425 1.00 41.54 O ATOM 1274 CB LEU A 75 -10.034 -8.684 -7.807 1.00 63.13 C ATOM 1275 CG LEU A 75 -10.231 -10.104 -8.350 1.00 32.42 C ATOM 1276 CD1 LEU A 75 -11.706 -10.489 -8.325 1.00 3.22 C ATOM 1277 CD2 LEU A 75 -9.669 -10.220 -9.762 1.00 11.52 C ATOM 0 H LEU A 75 -9.508 -6.623 -6.182 1.00 35.24 H new ATOM 0 HA LEU A 75 -11.543 -8.772 -6.279 1.00 72.30 H new ATOM 0 HB2 LEU A 75 -10.569 -7.988 -8.453 1.00 63.13 H new ATOM 0 HB3 LEU A 75 -8.976 -8.431 -7.873 1.00 63.13 H new ATOM 0 HG LEU A 75 -9.687 -10.796 -7.707 1.00 32.42 H new ATOM 0 HD11 LEU A 75 -11.825 -11.500 -8.714 1.00 3.22 H new ATOM 0 HD12 LEU A 75 -12.075 -10.449 -7.300 1.00 3.22 H new ATOM 0 HD13 LEU A 75 -12.274 -9.793 -8.943 1.00 3.22 H new ATOM 0 HD21 LEU A 75 -9.818 -11.235 -10.131 1.00 11.52 H new ATOM 0 HD22 LEU A 75 -10.183 -9.517 -10.417 1.00 11.52 H new ATOM 0 HD23 LEU A 75 -8.603 -9.991 -9.749 1.00 11.52 H new ATOM 1289 N ARG A 76 -8.905 -8.677 -4.532 1.00 45.53 N ATOM 1290 CA ARG A 76 -8.001 -9.399 -3.637 1.00 44.54 C ATOM 1291 C ARG A 76 -8.250 -9.056 -2.168 1.00 42.30 C ATOM 1292 O ARG A 76 -7.409 -9.344 -1.319 1.00 71.41 O ATOM 1293 CB ARG A 76 -6.539 -9.080 -3.976 1.00 21.01 C ATOM 1294 CG ARG A 76 -6.055 -9.620 -5.317 1.00 45.01 C ATOM 1295 CD ARG A 76 -6.050 -11.143 -5.358 1.00 74.24 C ATOM 1296 NE ARG A 76 -7.304 -11.688 -5.881 1.00 40.31 N ATOM 1297 CZ ARG A 76 -7.431 -12.922 -6.370 1.00 2.11 C ATOM 1298 NH1 ARG A 76 -6.459 -13.812 -6.202 1.00 62.42 N ATOM 1299 NH2 ARG A 76 -8.562 -13.282 -6.965 1.00 11.35 N ATOM 0 H ARG A 76 -8.885 -7.663 -4.428 1.00 45.53 H new ATOM 0 HA ARG A 76 -8.198 -10.461 -3.784 1.00 44.54 H new ATOM 0 HB2 ARG A 76 -6.408 -7.998 -3.969 1.00 21.01 H new ATOM 0 HB3 ARG A 76 -5.903 -9.483 -3.188 1.00 21.01 H new ATOM 0 HG2 ARG A 76 -6.696 -9.239 -6.112 1.00 45.01 H new ATOM 0 HG3 ARG A 76 -5.049 -9.250 -5.514 1.00 45.01 H new ATOM 0 HD2 ARG A 76 -5.221 -11.485 -5.978 1.00 74.24 H new ATOM 0 HD3 ARG A 76 -5.878 -11.531 -4.354 1.00 74.24 H new ATOM 0 HE ARG A 76 -8.129 -11.088 -5.871 1.00 40.31 H new ATOM 0 HH11 ARG A 76 -5.611 -13.552 -5.697 1.00 62.42 H new ATOM 0 HH12 ARG A 76 -6.560 -14.755 -6.578 1.00 62.42 H new ATOM 0 HH21 ARG A 76 -9.330 -12.616 -7.047 1.00 11.35 H new ATOM 0 HH22 ARG A 76 -8.663 -14.225 -7.340 1.00 11.35 H new ATOM 1313 N GLN A 77 -9.405 -8.470 -1.856 1.00 23.35 N ATOM 1314 CA GLN A 77 -9.673 -8.024 -0.486 1.00 64.41 C ATOM 1315 C GLN A 77 -9.852 -9.199 0.475 1.00 65.21 C ATOM 1316 O GLN A 77 -9.733 -9.037 1.685 1.00 1.40 O ATOM 1317 CB GLN A 77 -10.901 -7.109 -0.411 1.00 24.15 C ATOM 1318 CG GLN A 77 -12.227 -7.794 -0.713 1.00 73.40 C ATOM 1319 CD GLN A 77 -12.625 -7.690 -2.169 1.00 4.03 C ATOM 1320 OE1 GLN A 77 -13.261 -6.720 -2.576 1.00 73.31 O ATOM 1321 NE2 GLN A 77 -12.287 -8.696 -2.962 1.00 72.42 N ATOM 0 H GLN A 77 -10.160 -8.294 -2.519 1.00 23.35 H new ATOM 0 HA GLN A 77 -8.795 -7.455 -0.179 1.00 64.41 H new ATOM 0 HB2 GLN A 77 -10.952 -6.674 0.587 1.00 24.15 H new ATOM 0 HB3 GLN A 77 -10.766 -6.285 -1.112 1.00 24.15 H new ATOM 0 HG2 GLN A 77 -12.159 -8.846 -0.434 1.00 73.40 H new ATOM 0 HG3 GLN A 77 -13.008 -7.351 -0.095 1.00 73.40 H new ATOM 0 HE21 GLN A 77 -11.759 -9.485 -2.589 1.00 72.42 H new ATOM 0 HE22 GLN A 77 -12.555 -8.682 -3.946 1.00 72.42 H new ATOM 1330 N HIS A 78 -10.138 -10.378 -0.060 1.00 53.41 N ATOM 1331 CA HIS A 78 -10.300 -11.561 0.778 1.00 11.34 C ATOM 1332 C HIS A 78 -8.980 -12.317 0.872 1.00 41.50 C ATOM 1333 O HIS A 78 -8.819 -13.223 1.687 1.00 1.33 O ATOM 1334 CB HIS A 78 -11.392 -12.474 0.214 1.00 42.12 C ATOM 1335 CG HIS A 78 -11.850 -13.531 1.174 1.00 71.32 C ATOM 1336 ND1 HIS A 78 -12.896 -13.343 2.048 1.00 35.14 N ATOM 1337 CD2 HIS A 78 -11.402 -14.790 1.394 1.00 34.42 C ATOM 1338 CE1 HIS A 78 -13.071 -14.437 2.765 1.00 11.33 C ATOM 1339 NE2 HIS A 78 -12.180 -15.332 2.385 1.00 22.34 N ATOM 0 H HIS A 78 -10.262 -10.542 -1.059 1.00 53.41 H new ATOM 0 HA HIS A 78 -10.599 -11.242 1.776 1.00 11.34 H new ATOM 0 HB2 HIS A 78 -12.248 -11.865 -0.077 1.00 42.12 H new ATOM 0 HB3 HIS A 78 -11.020 -12.954 -0.691 1.00 42.12 H new ATOM 0 HD2 HIS A 78 -10.584 -15.277 0.884 1.00 34.42 H new ATOM 0 HE1 HIS A 78 -13.818 -14.576 3.533 1.00 11.33 H new ATOM 0 HE2 HIS A 78 -12.085 -16.273 2.766 1.00 22.34 H new ATOM 1348 N GLU A 79 -8.033 -11.918 0.037 1.00 52.20 N ATOM 1349 CA GLU A 79 -6.736 -12.575 -0.031 1.00 34.24 C ATOM 1350 C GLU A 79 -5.778 -11.931 0.974 1.00 2.44 C ATOM 1351 O GLU A 79 -4.603 -12.287 1.062 1.00 12.24 O ATOM 1352 CB GLU A 79 -6.189 -12.469 -1.458 1.00 4.13 C ATOM 1353 CG GLU A 79 -5.030 -13.409 -1.758 1.00 31.12 C ATOM 1354 CD GLU A 79 -4.447 -13.176 -3.132 1.00 14.53 C ATOM 1355 OE1 GLU A 79 -3.644 -12.238 -3.280 1.00 1.22 O ATOM 1356 OE2 GLU A 79 -4.800 -13.908 -4.073 1.00 53.52 O ATOM 0 H GLU A 79 -8.140 -11.135 -0.608 1.00 52.20 H new ATOM 0 HA GLU A 79 -6.839 -13.630 0.225 1.00 34.24 H new ATOM 0 HB2 GLU A 79 -6.997 -12.673 -2.160 1.00 4.13 H new ATOM 0 HB3 GLU A 79 -5.864 -11.444 -1.635 1.00 4.13 H new ATOM 0 HG2 GLU A 79 -4.251 -13.274 -1.007 1.00 31.12 H new ATOM 0 HG3 GLU A 79 -5.372 -14.441 -1.681 1.00 31.12 H new ATOM 1363 N LEU A 80 -6.305 -10.970 1.724 1.00 13.32 N ATOM 1364 CA LEU A 80 -5.546 -10.267 2.745 1.00 43.02 C ATOM 1365 C LEU A 80 -6.442 -9.961 3.944 1.00 55.45 C ATOM 1366 O LEU A 80 -7.666 -9.940 3.814 1.00 22.30 O ATOM 1367 CB LEU A 80 -4.933 -8.977 2.168 1.00 64.34 C ATOM 1368 CG LEU A 80 -5.887 -8.051 1.390 1.00 51.43 C ATOM 1369 CD1 LEU A 80 -6.751 -7.222 2.329 1.00 31.40 C ATOM 1370 CD2 LEU A 80 -5.098 -7.145 0.458 1.00 1.03 C ATOM 0 H LEU A 80 -7.272 -10.658 1.639 1.00 13.32 H new ATOM 0 HA LEU A 80 -4.728 -10.905 3.081 1.00 43.02 H new ATOM 0 HB2 LEU A 80 -4.500 -8.408 2.990 1.00 64.34 H new ATOM 0 HB3 LEU A 80 -4.113 -9.255 1.506 1.00 64.34 H new ATOM 0 HG LEU A 80 -6.551 -8.679 0.797 1.00 51.43 H new ATOM 0 HD11 LEU A 80 -7.411 -6.581 1.745 1.00 31.40 H new ATOM 0 HD12 LEU A 80 -7.349 -7.885 2.954 1.00 31.40 H new ATOM 0 HD13 LEU A 80 -6.113 -6.605 2.962 1.00 31.40 H new ATOM 0 HD21 LEU A 80 -5.784 -6.496 -0.086 1.00 1.03 H new ATOM 0 HD22 LEU A 80 -4.408 -6.536 1.041 1.00 1.03 H new ATOM 0 HD23 LEU A 80 -4.536 -7.753 -0.251 1.00 1.03 H new ATOM 1382 N PRO A 81 -5.851 -9.768 5.133 1.00 23.33 N ATOM 1383 CA PRO A 81 -6.595 -9.380 6.334 1.00 45.34 C ATOM 1384 C PRO A 81 -7.077 -7.933 6.257 1.00 61.22 C ATOM 1385 O PRO A 81 -6.423 -7.088 5.646 1.00 41.13 O ATOM 1386 CB PRO A 81 -5.575 -9.544 7.475 1.00 42.23 C ATOM 1387 CG PRO A 81 -4.415 -10.272 6.877 1.00 21.01 C ATOM 1388 CD PRO A 81 -4.421 -9.933 5.416 1.00 2.43 C ATOM 0 HA PRO A 81 -7.492 -9.984 6.469 1.00 45.34 H new ATOM 0 HB2 PRO A 81 -5.269 -8.575 7.869 1.00 42.23 H new ATOM 0 HB3 PRO A 81 -6.003 -10.105 8.306 1.00 42.23 H new ATOM 0 HG2 PRO A 81 -3.479 -9.965 7.345 1.00 21.01 H new ATOM 0 HG3 PRO A 81 -4.510 -11.347 7.028 1.00 21.01 H new ATOM 0 HD2 PRO A 81 -3.859 -9.022 5.209 1.00 2.43 H new ATOM 0 HD3 PRO A 81 -3.977 -10.726 4.814 1.00 2.43 H new ATOM 1396 N ALA A 82 -8.225 -7.655 6.874 1.00 23.44 N ATOM 1397 CA ALA A 82 -8.782 -6.307 6.894 1.00 54.42 C ATOM 1398 C ALA A 82 -7.847 -5.347 7.621 1.00 12.13 C ATOM 1399 O ALA A 82 -7.779 -5.339 8.852 1.00 24.40 O ATOM 1400 CB ALA A 82 -10.153 -6.316 7.553 1.00 12.10 C ATOM 0 H ALA A 82 -8.787 -8.349 7.367 1.00 23.44 H new ATOM 0 HA ALA A 82 -8.890 -5.962 5.866 1.00 54.42 H new ATOM 0 HB1 ALA A 82 -10.559 -5.304 7.562 1.00 12.10 H new ATOM 0 HB2 ALA A 82 -10.821 -6.970 6.993 1.00 12.10 H new ATOM 0 HB3 ALA A 82 -10.062 -6.680 8.576 1.00 12.10 H new ATOM 1406 N MET A 83 -7.116 -4.552 6.857 1.00 41.43 N ATOM 1407 CA MET A 83 -6.113 -3.664 7.418 1.00 55.23 C ATOM 1408 C MET A 83 -5.976 -2.405 6.570 1.00 1.44 C ATOM 1409 O MET A 83 -6.258 -2.425 5.370 1.00 20.11 O ATOM 1410 CB MET A 83 -4.770 -4.399 7.489 1.00 74.13 C ATOM 1411 CG MET A 83 -3.662 -3.616 8.172 1.00 51.42 C ATOM 1412 SD MET A 83 -2.068 -4.457 8.091 1.00 25.52 S ATOM 1413 CE MET A 83 -2.466 -6.029 8.852 1.00 53.14 C ATOM 0 H MET A 83 -7.200 -4.504 5.842 1.00 41.43 H new ATOM 0 HA MET A 83 -6.421 -3.368 8.421 1.00 55.23 H new ATOM 0 HB2 MET A 83 -4.913 -5.341 8.019 1.00 74.13 H new ATOM 0 HB3 MET A 83 -4.452 -4.648 6.477 1.00 74.13 H new ATOM 0 HG2 MET A 83 -3.575 -2.635 7.706 1.00 51.42 H new ATOM 0 HG3 MET A 83 -3.929 -3.451 9.216 1.00 51.42 H new ATOM 0 HE1 MET A 83 -1.569 -6.451 9.306 1.00 53.14 H new ATOM 0 HE2 MET A 83 -3.225 -5.880 9.620 1.00 53.14 H new ATOM 0 HE3 MET A 83 -2.846 -6.714 8.094 1.00 53.14 H new ATOM 1423 N ASP A 84 -5.570 -1.312 7.203 1.00 0.41 N ATOM 1424 CA ASP A 84 -5.289 -0.072 6.491 1.00 21.25 C ATOM 1425 C ASP A 84 -3.945 -0.163 5.783 1.00 74.23 C ATOM 1426 O ASP A 84 -2.910 -0.379 6.419 1.00 62.25 O ATOM 1427 CB ASP A 84 -5.273 1.123 7.449 1.00 53.11 C ATOM 1428 CG ASP A 84 -6.619 1.388 8.087 1.00 33.34 C ATOM 1429 OD1 ASP A 84 -6.906 0.788 9.144 1.00 62.42 O ATOM 1430 OD2 ASP A 84 -7.390 2.209 7.540 1.00 51.33 O ATOM 0 H ASP A 84 -5.428 -1.259 8.212 1.00 0.41 H new ATOM 0 HA ASP A 84 -6.081 0.076 5.757 1.00 21.25 H new ATOM 0 HB2 ASP A 84 -4.535 0.944 8.231 1.00 53.11 H new ATOM 0 HB3 ASP A 84 -4.953 2.012 6.906 1.00 53.11 H new ATOM 1435 N PHE A 85 -3.965 -0.013 4.469 1.00 64.53 N ATOM 1436 CA PHE A 85 -2.744 -0.031 3.681 1.00 61.42 C ATOM 1437 C PHE A 85 -2.535 1.319 3.009 1.00 12.15 C ATOM 1438 O PHE A 85 -3.230 1.663 2.049 1.00 12.54 O ATOM 1439 CB PHE A 85 -2.789 -1.144 2.628 1.00 53.44 C ATOM 1440 CG PHE A 85 -2.796 -2.530 3.206 1.00 71.33 C ATOM 1441 CD1 PHE A 85 -1.633 -3.083 3.717 1.00 61.23 C ATOM 1442 CD2 PHE A 85 -3.961 -3.280 3.241 1.00 52.41 C ATOM 1443 CE1 PHE A 85 -1.630 -4.358 4.252 1.00 61.42 C ATOM 1444 CE2 PHE A 85 -3.967 -4.554 3.775 1.00 1.15 C ATOM 1445 CZ PHE A 85 -2.800 -5.094 4.281 1.00 73.12 C ATOM 0 H PHE A 85 -4.816 0.123 3.924 1.00 64.53 H new ATOM 0 HA PHE A 85 -1.907 -0.229 4.351 1.00 61.42 H new ATOM 0 HB2 PHE A 85 -3.680 -1.013 2.013 1.00 53.44 H new ATOM 0 HB3 PHE A 85 -1.928 -1.041 1.968 1.00 53.44 H new ATOM 0 HD1 PHE A 85 -0.717 -2.511 3.697 1.00 61.23 H new ATOM 0 HD2 PHE A 85 -4.876 -2.863 2.846 1.00 52.41 H new ATOM 0 HE1 PHE A 85 -0.716 -4.778 4.646 1.00 61.42 H new ATOM 0 HE2 PHE A 85 -4.882 -5.127 3.797 1.00 1.15 H new ATOM 0 HZ PHE A 85 -2.802 -6.090 4.699 1.00 73.12 H new ATOM 1455 N VAL A 86 -1.589 2.083 3.529 1.00 43.34 N ATOM 1456 CA VAL A 86 -1.286 3.398 2.991 1.00 24.43 C ATOM 1457 C VAL A 86 -0.250 3.282 1.881 1.00 33.24 C ATOM 1458 O VAL A 86 0.930 3.050 2.133 1.00 53.01 O ATOM 1459 CB VAL A 86 -0.766 4.348 4.088 1.00 25.11 C ATOM 1460 CG1 VAL A 86 -0.509 5.739 3.527 1.00 4.31 C ATOM 1461 CG2 VAL A 86 -1.753 4.411 5.244 1.00 22.21 C ATOM 0 H VAL A 86 -1.015 1.813 4.328 1.00 43.34 H new ATOM 0 HA VAL A 86 -2.209 3.815 2.588 1.00 24.43 H new ATOM 0 HB VAL A 86 0.181 3.955 4.459 1.00 25.11 H new ATOM 0 HG11 VAL A 86 -0.143 6.390 4.321 1.00 4.31 H new ATOM 0 HG12 VAL A 86 0.236 5.679 2.734 1.00 4.31 H new ATOM 0 HG13 VAL A 86 -1.436 6.146 3.123 1.00 4.31 H new ATOM 0 HG21 VAL A 86 -1.372 5.086 6.011 1.00 22.21 H new ATOM 0 HG22 VAL A 86 -2.714 4.778 4.883 1.00 22.21 H new ATOM 0 HG23 VAL A 86 -1.881 3.415 5.668 1.00 22.21 H new ATOM 1471 N VAL A 87 -0.699 3.423 0.649 1.00 71.44 N ATOM 1472 CA VAL A 87 0.178 3.262 -0.493 1.00 13.34 C ATOM 1473 C VAL A 87 0.709 4.617 -0.945 1.00 42.11 C ATOM 1474 O VAL A 87 -0.049 5.474 -1.405 1.00 63.25 O ATOM 1475 CB VAL A 87 -0.544 2.573 -1.669 1.00 42.11 C ATOM 1476 CG1 VAL A 87 0.449 2.181 -2.750 1.00 62.43 C ATOM 1477 CG2 VAL A 87 -1.325 1.355 -1.194 1.00 10.31 C ATOM 0 H VAL A 87 -1.666 3.649 0.414 1.00 71.44 H new ATOM 0 HA VAL A 87 1.008 2.628 -0.183 1.00 13.34 H new ATOM 0 HB VAL A 87 -1.253 3.285 -2.092 1.00 42.11 H new ATOM 0 HG11 VAL A 87 -0.079 1.696 -3.571 1.00 62.43 H new ATOM 0 HG12 VAL A 87 0.955 3.073 -3.120 1.00 62.43 H new ATOM 0 HG13 VAL A 87 1.185 1.492 -2.335 1.00 62.43 H new ATOM 0 HG21 VAL A 87 -1.824 0.889 -2.044 1.00 10.31 H new ATOM 0 HG22 VAL A 87 -0.641 0.640 -0.738 1.00 10.31 H new ATOM 0 HG23 VAL A 87 -2.070 1.664 -0.460 1.00 10.31 H new ATOM 1487 N VAL A 88 2.007 4.810 -0.803 1.00 4.14 N ATOM 1488 CA VAL A 88 2.629 6.066 -1.176 1.00 0.20 C ATOM 1489 C VAL A 88 3.384 5.911 -2.488 1.00 44.33 C ATOM 1490 O VAL A 88 4.348 5.147 -2.581 1.00 75.44 O ATOM 1491 CB VAL A 88 3.594 6.576 -0.082 1.00 55.25 C ATOM 1492 CG1 VAL A 88 4.240 7.891 -0.501 1.00 24.41 C ATOM 1493 CG2 VAL A 88 2.863 6.741 1.242 1.00 40.14 C ATOM 0 H VAL A 88 2.651 4.112 -0.432 1.00 4.14 H new ATOM 0 HA VAL A 88 1.832 6.801 -1.294 1.00 0.20 H new ATOM 0 HB VAL A 88 4.382 5.834 0.048 1.00 55.25 H new ATOM 0 HG11 VAL A 88 4.915 8.231 0.284 1.00 24.41 H new ATOM 0 HG12 VAL A 88 4.802 7.743 -1.423 1.00 24.41 H new ATOM 0 HG13 VAL A 88 3.466 8.641 -0.664 1.00 24.41 H new ATOM 0 HG21 VAL A 88 3.559 7.101 2.000 1.00 40.14 H new ATOM 0 HG22 VAL A 88 2.053 7.460 1.123 1.00 40.14 H new ATOM 0 HG23 VAL A 88 2.453 5.780 1.553 1.00 40.14 H new ATOM 1503 N ALA A 89 2.925 6.622 -3.505 1.00 63.05 N ATOM 1504 CA ALA A 89 3.553 6.578 -4.814 1.00 73.44 C ATOM 1505 C ALA A 89 4.864 7.356 -4.804 1.00 11.11 C ATOM 1506 O ALA A 89 4.938 8.464 -4.265 1.00 34.21 O ATOM 1507 CB ALA A 89 2.615 7.133 -5.873 1.00 1.31 C ATOM 0 H ALA A 89 2.115 7.240 -3.448 1.00 63.05 H new ATOM 0 HA ALA A 89 3.771 5.538 -5.056 1.00 73.44 H new ATOM 0 HB1 ALA A 89 3.102 7.092 -6.847 1.00 1.31 H new ATOM 0 HB2 ALA A 89 1.702 6.538 -5.898 1.00 1.31 H new ATOM 0 HB3 ALA A 89 2.367 8.167 -5.634 1.00 1.31 H new ATOM 1513 N LYS A 90 5.896 6.765 -5.384 1.00 72.52 N ATOM 1514 CA LYS A 90 7.194 7.413 -5.467 1.00 53.11 C ATOM 1515 C LYS A 90 7.413 7.943 -6.880 1.00 55.43 C ATOM 1516 O LYS A 90 6.642 7.639 -7.791 1.00 62.41 O ATOM 1517 CB LYS A 90 8.313 6.434 -5.091 1.00 53.52 C ATOM 1518 CG LYS A 90 8.131 5.759 -3.736 1.00 44.32 C ATOM 1519 CD LYS A 90 8.159 6.759 -2.590 1.00 71.55 C ATOM 1520 CE LYS A 90 8.079 6.058 -1.241 1.00 40.23 C ATOM 1521 NZ LYS A 90 9.266 5.195 -0.985 1.00 4.33 N ATOM 0 H LYS A 90 5.860 5.836 -5.805 1.00 72.52 H new ATOM 0 HA LYS A 90 7.217 8.244 -4.762 1.00 53.11 H new ATOM 0 HB2 LYS A 90 8.380 5.665 -5.860 1.00 53.52 H new ATOM 0 HB3 LYS A 90 9.263 6.969 -5.092 1.00 53.52 H new ATOM 0 HG2 LYS A 90 7.183 5.221 -3.724 1.00 44.32 H new ATOM 0 HG3 LYS A 90 8.919 5.020 -3.591 1.00 44.32 H new ATOM 0 HD2 LYS A 90 9.074 7.349 -2.642 1.00 71.55 H new ATOM 0 HD3 LYS A 90 7.325 7.454 -2.691 1.00 71.55 H new ATOM 0 HE2 LYS A 90 7.996 6.804 -0.450 1.00 40.23 H new ATOM 0 HE3 LYS A 90 7.175 5.451 -1.202 1.00 40.23 H new ATOM 0 HZ1 LYS A 90 9.583 5.323 -0.003 1.00 4.33 H new ATOM 0 HZ2 LYS A 90 9.011 4.199 -1.140 1.00 4.33 H new ATOM 0 HZ3 LYS A 90 10.034 5.460 -1.634 1.00 4.33 H new ATOM 1535 N LYS A 91 8.465 8.723 -7.065 1.00 11.01 N ATOM 1536 CA LYS A 91 8.747 9.308 -8.366 1.00 65.04 C ATOM 1537 C LYS A 91 9.300 8.261 -9.328 1.00 34.05 C ATOM 1538 O LYS A 91 10.386 7.715 -9.124 1.00 15.20 O ATOM 1539 CB LYS A 91 9.703 10.500 -8.224 1.00 33.52 C ATOM 1540 CG LYS A 91 10.920 10.230 -7.352 1.00 14.34 C ATOM 1541 CD LYS A 91 11.687 11.510 -7.058 1.00 70.10 C ATOM 1542 CE LYS A 91 12.283 12.121 -8.318 1.00 13.21 C ATOM 1543 NZ LYS A 91 13.354 11.268 -8.895 1.00 34.24 N ATOM 0 H LYS A 91 9.135 8.965 -6.335 1.00 11.01 H new ATOM 0 HA LYS A 91 7.812 9.676 -8.787 1.00 65.04 H new ATOM 0 HB2 LYS A 91 10.041 10.799 -9.216 1.00 33.52 H new ATOM 0 HB3 LYS A 91 9.153 11.344 -7.807 1.00 33.52 H new ATOM 0 HG2 LYS A 91 10.604 9.770 -6.416 1.00 14.34 H new ATOM 0 HG3 LYS A 91 11.576 9.517 -7.851 1.00 14.34 H new ATOM 0 HD2 LYS A 91 11.020 12.232 -6.586 1.00 70.10 H new ATOM 0 HD3 LYS A 91 12.484 11.299 -6.345 1.00 70.10 H new ATOM 0 HE2 LYS A 91 11.496 12.266 -9.058 1.00 13.21 H new ATOM 0 HE3 LYS A 91 12.689 13.106 -8.087 1.00 13.21 H new ATOM 0 HZ1 LYS A 91 13.848 11.791 -9.646 1.00 34.24 H new ATOM 0 HZ2 LYS A 91 14.032 11.010 -8.150 1.00 34.24 H new ATOM 0 HZ3 LYS A 91 12.933 10.405 -9.294 1.00 34.24 H new ATOM 1557 N GLY A 92 8.519 7.969 -10.363 1.00 2.04 N ATOM 1558 CA GLY A 92 8.919 6.992 -11.356 1.00 52.23 C ATOM 1559 C GLY A 92 7.886 5.895 -11.538 1.00 11.52 C ATOM 1560 O GLY A 92 7.994 5.078 -12.455 1.00 14.03 O ATOM 0 H GLY A 92 7.608 8.397 -10.531 1.00 2.04 H new ATOM 0 HA2 GLY A 92 9.084 7.494 -12.309 1.00 52.23 H new ATOM 0 HA3 GLY A 92 9.869 6.547 -11.062 1.00 52.23 H new ATOM 1564 N VAL A 93 6.875 5.879 -10.675 1.00 5.43 N ATOM 1565 CA VAL A 93 5.851 4.835 -10.714 1.00 70.00 C ATOM 1566 C VAL A 93 4.969 4.944 -11.958 1.00 15.25 C ATOM 1567 O VAL A 93 4.561 3.932 -12.525 1.00 31.32 O ATOM 1568 CB VAL A 93 4.969 4.862 -9.439 1.00 40.35 C ATOM 1569 CG1 VAL A 93 4.200 6.173 -9.322 1.00 74.01 C ATOM 1570 CG2 VAL A 93 4.019 3.672 -9.411 1.00 43.41 C ATOM 0 H VAL A 93 6.741 6.574 -9.941 1.00 5.43 H new ATOM 0 HA VAL A 93 6.380 3.883 -10.756 1.00 70.00 H new ATOM 0 HB VAL A 93 5.632 4.789 -8.577 1.00 40.35 H new ATOM 0 HG11 VAL A 93 3.592 6.159 -8.418 1.00 74.01 H new ATOM 0 HG12 VAL A 93 4.903 7.004 -9.273 1.00 74.01 H new ATOM 0 HG13 VAL A 93 3.554 6.295 -10.192 1.00 74.01 H new ATOM 0 HG21 VAL A 93 3.411 3.713 -8.507 1.00 43.41 H new ATOM 0 HG22 VAL A 93 3.370 3.704 -10.286 1.00 43.41 H new ATOM 0 HG23 VAL A 93 4.595 2.747 -9.419 1.00 43.41 H new ATOM 1580 N ALA A 94 4.693 6.166 -12.393 1.00 20.45 N ATOM 1581 CA ALA A 94 3.837 6.383 -13.553 1.00 13.54 C ATOM 1582 C ALA A 94 4.655 6.428 -14.834 1.00 32.32 C ATOM 1583 O ALA A 94 4.146 6.769 -15.898 1.00 73.05 O ATOM 1584 CB ALA A 94 3.045 7.667 -13.384 1.00 4.43 C ATOM 0 H ALA A 94 5.048 7.020 -11.962 1.00 20.45 H new ATOM 0 HA ALA A 94 3.142 5.546 -13.627 1.00 13.54 H new ATOM 0 HB1 ALA A 94 2.409 7.820 -14.256 1.00 4.43 H new ATOM 0 HB2 ALA A 94 2.425 7.597 -12.490 1.00 4.43 H new ATOM 0 HB3 ALA A 94 3.732 8.508 -13.284 1.00 4.43 H new ATOM 1590 N ASP A 95 5.923 6.071 -14.727 1.00 21.02 N ATOM 1591 CA ASP A 95 6.815 6.093 -15.871 1.00 43.14 C ATOM 1592 C ASP A 95 7.419 4.713 -16.090 1.00 21.44 C ATOM 1593 O ASP A 95 8.570 4.459 -15.746 1.00 3.45 O ATOM 1594 CB ASP A 95 7.912 7.143 -15.668 1.00 50.41 C ATOM 1595 CG ASP A 95 8.829 7.284 -16.868 1.00 2.40 C ATOM 1596 OD1 ASP A 95 8.402 7.880 -17.880 1.00 15.44 O ATOM 1597 OD2 ASP A 95 9.986 6.813 -16.795 1.00 4.51 O ATOM 0 H ASP A 95 6.358 5.762 -13.858 1.00 21.02 H new ATOM 0 HA ASP A 95 6.245 6.363 -16.760 1.00 43.14 H new ATOM 0 HB2 ASP A 95 7.449 8.107 -15.456 1.00 50.41 H new ATOM 0 HB3 ASP A 95 8.506 6.875 -14.794 1.00 50.41 H new ATOM 1602 N LEU A 96 6.611 3.810 -16.615 1.00 50.52 N ATOM 1603 CA LEU A 96 7.064 2.460 -16.915 1.00 50.12 C ATOM 1604 C LEU A 96 6.562 2.014 -18.286 1.00 13.40 C ATOM 1605 O LEU A 96 5.768 2.712 -18.920 1.00 23.01 O ATOM 1606 CB LEU A 96 6.618 1.486 -15.811 1.00 44.05 C ATOM 1607 CG LEU A 96 5.194 1.682 -15.262 1.00 52.41 C ATOM 1608 CD1 LEU A 96 4.138 1.343 -16.303 1.00 44.40 C ATOM 1609 CD2 LEU A 96 4.988 0.843 -14.010 1.00 65.32 C ATOM 0 H LEU A 96 5.633 3.986 -16.844 1.00 50.52 H new ATOM 0 HA LEU A 96 8.154 2.457 -16.945 1.00 50.12 H new ATOM 0 HB2 LEU A 96 6.698 0.470 -16.198 1.00 44.05 H new ATOM 0 HB3 LEU A 96 7.319 1.567 -14.980 1.00 44.05 H new ATOM 0 HG LEU A 96 5.082 2.736 -15.007 1.00 52.41 H new ATOM 0 HD11 LEU A 96 3.146 1.494 -15.877 1.00 44.40 H new ATOM 0 HD12 LEU A 96 4.263 1.990 -17.172 1.00 44.40 H new ATOM 0 HD13 LEU A 96 4.248 0.302 -16.607 1.00 44.40 H new ATOM 0 HD21 LEU A 96 3.976 0.993 -13.634 1.00 65.32 H new ATOM 0 HD22 LEU A 96 5.134 -0.210 -14.250 1.00 65.32 H new ATOM 0 HD23 LEU A 96 5.707 1.144 -13.248 1.00 65.32 H new ATOM 1621 N ASP A 97 7.031 0.858 -18.739 1.00 71.42 N ATOM 1622 CA ASP A 97 6.651 0.329 -20.047 1.00 64.15 C ATOM 1623 C ASP A 97 5.282 -0.333 -19.995 1.00 74.23 C ATOM 1624 O ASP A 97 4.754 -0.608 -18.917 1.00 50.12 O ATOM 1625 CB ASP A 97 7.684 -0.691 -20.534 1.00 35.03 C ATOM 1626 CG ASP A 97 9.049 -0.080 -20.771 1.00 73.23 C ATOM 1627 OD1 ASP A 97 9.781 0.153 -19.788 1.00 22.54 O ATOM 1628 OD2 ASP A 97 9.397 0.171 -21.945 1.00 22.13 O ATOM 0 H ASP A 97 7.678 0.265 -18.219 1.00 71.42 H new ATOM 0 HA ASP A 97 6.611 1.168 -20.741 1.00 64.15 H new ATOM 0 HB2 ASP A 97 7.772 -1.491 -19.799 1.00 35.03 H new ATOM 0 HB3 ASP A 97 7.330 -1.146 -21.459 1.00 35.03 H new ATOM 1633 N ASN A 98 4.719 -0.597 -21.166 1.00 21.14 N ATOM 1634 CA ASN A 98 3.435 -1.286 -21.274 1.00 45.42 C ATOM 1635 C ASN A 98 3.518 -2.662 -20.611 1.00 41.21 C ATOM 1636 O ASN A 98 2.633 -3.048 -19.848 1.00 5.32 O ATOM 1637 CB ASN A 98 3.050 -1.436 -22.752 1.00 12.41 C ATOM 1638 CG ASN A 98 1.586 -1.799 -22.985 1.00 5.52 C ATOM 1639 OD1 ASN A 98 1.022 -1.459 -24.027 1.00 45.15 O ATOM 1640 ND2 ASN A 98 0.956 -2.487 -22.043 1.00 11.01 N ATOM 0 H ASN A 98 5.133 -0.343 -22.063 1.00 21.14 H new ATOM 0 HA ASN A 98 2.672 -0.698 -20.764 1.00 45.42 H new ATOM 0 HB2 ASN A 98 3.267 -0.501 -23.269 1.00 12.41 H new ATOM 0 HB3 ASN A 98 3.679 -2.203 -23.203 1.00 12.41 H new ATOM 0 HD21 ASN A 98 -0.022 -2.749 -22.170 1.00 11.01 H new ATOM 0 HD22 ASN A 98 1.449 -2.754 -21.191 1.00 11.01 H new ATOM 1647 N ARG A 99 4.590 -3.390 -20.908 1.00 61.21 N ATOM 1648 CA ARG A 99 4.814 -4.714 -20.328 1.00 24.14 C ATOM 1649 C ARG A 99 4.975 -4.643 -18.812 1.00 63.02 C ATOM 1650 O ARG A 99 4.638 -5.589 -18.098 1.00 12.41 O ATOM 1651 CB ARG A 99 6.056 -5.370 -20.945 1.00 72.00 C ATOM 1652 CG ARG A 99 7.305 -4.499 -20.891 1.00 14.45 C ATOM 1653 CD ARG A 99 8.555 -5.275 -21.271 1.00 60.43 C ATOM 1654 NE ARG A 99 8.986 -6.178 -20.207 1.00 34.10 N ATOM 1655 CZ ARG A 99 9.949 -7.092 -20.339 1.00 21.43 C ATOM 1656 NH1 ARG A 99 10.583 -7.238 -21.496 1.00 14.02 N ATOM 1657 NH2 ARG A 99 10.281 -7.852 -19.303 1.00 63.44 N ATOM 0 H ARG A 99 5.322 -3.085 -21.550 1.00 61.21 H new ATOM 0 HA ARG A 99 3.935 -5.318 -20.552 1.00 24.14 H new ATOM 0 HB2 ARG A 99 6.256 -6.307 -20.426 1.00 72.00 H new ATOM 0 HB3 ARG A 99 5.844 -5.620 -21.984 1.00 72.00 H new ATOM 0 HG2 ARG A 99 7.185 -3.651 -21.565 1.00 14.45 H new ATOM 0 HG3 ARG A 99 7.421 -4.093 -19.886 1.00 14.45 H new ATOM 0 HD2 ARG A 99 8.363 -5.849 -22.177 1.00 60.43 H new ATOM 0 HD3 ARG A 99 9.359 -4.576 -21.501 1.00 60.43 H new ATOM 0 HE ARG A 99 8.520 -6.105 -19.303 1.00 34.10 H new ATOM 0 HH11 ARG A 99 10.335 -6.649 -22.291 1.00 14.02 H new ATOM 0 HH12 ARG A 99 11.318 -7.939 -21.590 1.00 14.02 H new ATOM 0 HH21 ARG A 99 9.801 -7.736 -18.411 1.00 63.44 H new ATOM 0 HH22 ARG A 99 11.017 -8.552 -19.399 1.00 63.44 H new ATOM 1671 N ALA A 100 5.458 -3.505 -18.324 1.00 45.54 N ATOM 1672 CA ALA A 100 5.764 -3.342 -16.910 1.00 73.50 C ATOM 1673 C ALA A 100 4.500 -3.385 -16.057 1.00 0.12 C ATOM 1674 O ALA A 100 4.568 -3.646 -14.858 1.00 72.44 O ATOM 1675 CB ALA A 100 6.522 -2.044 -16.678 1.00 61.03 C ATOM 0 H ALA A 100 5.646 -2.679 -18.892 1.00 45.54 H new ATOM 0 HA ALA A 100 6.396 -4.176 -16.606 1.00 73.50 H new ATOM 0 HB1 ALA A 100 6.743 -1.937 -15.616 1.00 61.03 H new ATOM 0 HB2 ALA A 100 7.454 -2.061 -17.243 1.00 61.03 H new ATOM 0 HB3 ALA A 100 5.913 -1.203 -17.008 1.00 61.03 H new ATOM 1681 N LEU A 101 3.350 -3.137 -16.681 1.00 14.51 N ATOM 1682 CA LEU A 101 2.072 -3.203 -15.981 1.00 24.14 C ATOM 1683 C LEU A 101 1.846 -4.599 -15.413 1.00 30.30 C ATOM 1684 O LEU A 101 1.588 -4.764 -14.221 1.00 22.33 O ATOM 1685 CB LEU A 101 0.918 -2.843 -16.919 1.00 33.34 C ATOM 1686 CG LEU A 101 0.912 -1.403 -17.433 1.00 60.14 C ATOM 1687 CD1 LEU A 101 -0.243 -1.194 -18.401 1.00 70.21 C ATOM 1688 CD2 LEU A 101 0.819 -0.421 -16.275 1.00 25.41 C ATOM 0 H LEU A 101 3.279 -2.889 -17.668 1.00 14.51 H new ATOM 0 HA LEU A 101 2.102 -2.482 -15.164 1.00 24.14 H new ATOM 0 HB2 LEU A 101 0.946 -3.516 -17.776 1.00 33.34 H new ATOM 0 HB3 LEU A 101 -0.022 -3.028 -16.399 1.00 33.34 H new ATOM 0 HG LEU A 101 1.848 -1.221 -17.962 1.00 60.14 H new ATOM 0 HD11 LEU A 101 -0.236 -0.165 -18.759 1.00 70.21 H new ATOM 0 HD12 LEU A 101 -0.136 -1.873 -19.247 1.00 70.21 H new ATOM 0 HD13 LEU A 101 -1.186 -1.394 -17.891 1.00 70.21 H new ATOM 0 HD21 LEU A 101 0.816 0.598 -16.662 1.00 25.41 H new ATOM 0 HD22 LEU A 101 -0.101 -0.601 -15.719 1.00 25.41 H new ATOM 0 HD23 LEU A 101 1.675 -0.556 -15.614 1.00 25.41 H new ATOM 1700 N SER A 102 1.977 -5.600 -16.272 1.00 14.04 N ATOM 1701 CA SER A 102 1.760 -6.985 -15.879 1.00 13.24 C ATOM 1702 C SER A 102 2.886 -7.471 -14.972 1.00 71.23 C ATOM 1703 O SER A 102 2.665 -8.279 -14.067 1.00 64.11 O ATOM 1704 CB SER A 102 1.669 -7.866 -17.125 1.00 51.21 C ATOM 1705 OG SER A 102 0.724 -7.343 -18.044 1.00 74.22 O ATOM 0 H SER A 102 2.234 -5.477 -17.251 1.00 14.04 H new ATOM 0 HA SER A 102 0.824 -7.049 -15.324 1.00 13.24 H new ATOM 0 HB2 SER A 102 2.647 -7.933 -17.601 1.00 51.21 H new ATOM 0 HB3 SER A 102 1.384 -8.879 -16.840 1.00 51.21 H new ATOM 0 HG SER A 102 0.682 -7.920 -18.835 1.00 74.22 H new ATOM 1711 N GLU A 103 4.088 -6.963 -15.211 1.00 65.42 N ATOM 1712 CA GLU A 103 5.256 -7.355 -14.433 1.00 11.30 C ATOM 1713 C GLU A 103 5.143 -6.856 -12.997 1.00 61.55 C ATOM 1714 O GLU A 103 5.292 -7.628 -12.052 1.00 2.45 O ATOM 1715 CB GLU A 103 6.532 -6.813 -15.081 1.00 34.22 C ATOM 1716 CG GLU A 103 6.751 -7.319 -16.496 1.00 14.10 C ATOM 1717 CD GLU A 103 8.025 -6.786 -17.114 1.00 22.01 C ATOM 1718 OE1 GLU A 103 9.081 -7.433 -16.967 1.00 72.00 O ATOM 1719 OE2 GLU A 103 7.980 -5.721 -17.762 1.00 21.41 O ATOM 0 H GLU A 103 4.280 -6.276 -15.940 1.00 65.42 H new ATOM 0 HA GLU A 103 5.304 -8.444 -14.415 1.00 11.30 H new ATOM 0 HB2 GLU A 103 6.489 -5.724 -15.095 1.00 34.22 H new ATOM 0 HB3 GLU A 103 7.389 -7.091 -14.467 1.00 34.22 H new ATOM 0 HG2 GLU A 103 6.784 -8.408 -16.487 1.00 14.10 H new ATOM 0 HG3 GLU A 103 5.902 -7.031 -17.116 1.00 14.10 H new ATOM 1726 N ALA A 104 4.854 -5.569 -12.838 1.00 33.04 N ATOM 1727 CA ALA A 104 4.763 -4.966 -11.513 1.00 74.03 C ATOM 1728 C ALA A 104 3.530 -5.455 -10.763 1.00 72.31 C ATOM 1729 O ALA A 104 3.519 -5.493 -9.532 1.00 63.25 O ATOM 1730 CB ALA A 104 4.751 -3.448 -11.621 1.00 14.45 C ATOM 0 H ALA A 104 4.679 -4.924 -13.609 1.00 33.04 H new ATOM 0 HA ALA A 104 5.642 -5.272 -10.946 1.00 74.03 H new ATOM 0 HB1 ALA A 104 4.683 -3.013 -10.624 1.00 14.45 H new ATOM 0 HB2 ALA A 104 5.669 -3.110 -12.102 1.00 14.45 H new ATOM 0 HB3 ALA A 104 3.893 -3.132 -12.214 1.00 14.45 H new ATOM 1736 N LEU A 105 2.505 -5.837 -11.514 1.00 52.51 N ATOM 1737 CA LEU A 105 1.253 -6.310 -10.935 1.00 1.41 C ATOM 1738 C LEU A 105 1.490 -7.467 -9.970 1.00 72.04 C ATOM 1739 O LEU A 105 1.078 -7.414 -8.810 1.00 40.11 O ATOM 1740 CB LEU A 105 0.293 -6.745 -12.046 1.00 71.14 C ATOM 1741 CG LEU A 105 -1.069 -7.261 -11.573 1.00 52.03 C ATOM 1742 CD1 LEU A 105 -1.842 -6.165 -10.858 1.00 42.05 C ATOM 1743 CD2 LEU A 105 -1.873 -7.799 -12.744 1.00 41.32 C ATOM 0 H LEU A 105 2.517 -5.828 -12.534 1.00 52.51 H new ATOM 0 HA LEU A 105 0.810 -5.487 -10.374 1.00 1.41 H new ATOM 0 HB2 LEU A 105 0.130 -5.899 -12.714 1.00 71.14 H new ATOM 0 HB3 LEU A 105 0.775 -7.527 -12.633 1.00 71.14 H new ATOM 0 HG LEU A 105 -0.897 -8.075 -10.868 1.00 52.03 H new ATOM 0 HD11 LEU A 105 -2.806 -6.554 -10.531 1.00 42.05 H new ATOM 0 HD12 LEU A 105 -1.275 -5.826 -9.991 1.00 42.05 H new ATOM 0 HD13 LEU A 105 -2.000 -5.328 -11.538 1.00 42.05 H new ATOM 0 HD21 LEU A 105 -2.837 -8.161 -12.388 1.00 41.32 H new ATOM 0 HD22 LEU A 105 -2.031 -7.004 -13.473 1.00 41.32 H new ATOM 0 HD23 LEU A 105 -1.329 -8.619 -13.213 1.00 41.32 H new ATOM 1755 N GLU A 106 2.179 -8.501 -10.436 1.00 54.30 N ATOM 1756 CA GLU A 106 2.382 -9.686 -9.618 1.00 61.10 C ATOM 1757 C GLU A 106 3.432 -9.432 -8.538 1.00 22.35 C ATOM 1758 O GLU A 106 3.499 -10.160 -7.552 1.00 54.23 O ATOM 1759 CB GLU A 106 2.775 -10.897 -10.472 1.00 52.02 C ATOM 1760 CG GLU A 106 4.168 -10.820 -11.074 1.00 13.52 C ATOM 1761 CD GLU A 106 4.571 -12.118 -11.744 1.00 60.03 C ATOM 1762 OE1 GLU A 106 4.696 -13.140 -11.034 1.00 21.20 O ATOM 1763 OE2 GLU A 106 4.742 -12.131 -12.983 1.00 54.43 O ATOM 0 H GLU A 106 2.601 -8.542 -11.364 1.00 54.30 H new ATOM 0 HA GLU A 106 1.433 -9.912 -9.131 1.00 61.10 H new ATOM 0 HB2 GLU A 106 2.708 -11.795 -9.858 1.00 52.02 H new ATOM 0 HB3 GLU A 106 2.050 -11.007 -11.279 1.00 52.02 H new ATOM 0 HG2 GLU A 106 4.204 -10.010 -11.803 1.00 13.52 H new ATOM 0 HG3 GLU A 106 4.888 -10.577 -10.292 1.00 13.52 H new ATOM 1770 N LYS A 107 4.236 -8.388 -8.717 1.00 42.45 N ATOM 1771 CA LYS A 107 5.258 -8.042 -7.735 1.00 64.23 C ATOM 1772 C LYS A 107 4.612 -7.558 -6.448 1.00 64.15 C ATOM 1773 O LYS A 107 5.041 -7.921 -5.353 1.00 54.51 O ATOM 1774 CB LYS A 107 6.205 -6.973 -8.286 1.00 41.51 C ATOM 1775 CG LYS A 107 6.966 -7.418 -9.526 1.00 10.05 C ATOM 1776 CD LYS A 107 7.818 -8.649 -9.255 1.00 15.01 C ATOM 1777 CE LYS A 107 8.974 -8.340 -8.317 1.00 22.54 C ATOM 1778 NZ LYS A 107 9.972 -7.437 -8.946 1.00 72.25 N ATOM 0 H LYS A 107 4.200 -7.770 -9.528 1.00 42.45 H new ATOM 0 HA LYS A 107 5.841 -8.938 -7.521 1.00 64.23 H new ATOM 0 HB2 LYS A 107 5.631 -6.078 -8.524 1.00 41.51 H new ATOM 0 HB3 LYS A 107 6.919 -6.697 -7.510 1.00 41.51 H new ATOM 0 HG2 LYS A 107 6.260 -7.634 -10.328 1.00 10.05 H new ATOM 0 HG3 LYS A 107 7.603 -6.604 -9.873 1.00 10.05 H new ATOM 0 HD2 LYS A 107 7.197 -9.432 -8.821 1.00 15.01 H new ATOM 0 HD3 LYS A 107 8.207 -9.036 -10.197 1.00 15.01 H new ATOM 0 HE2 LYS A 107 8.590 -7.879 -7.407 1.00 22.54 H new ATOM 0 HE3 LYS A 107 9.461 -9.270 -8.022 1.00 22.54 H new ATOM 0 HZ1 LYS A 107 10.833 -7.412 -8.364 1.00 72.25 H new ATOM 0 HZ2 LYS A 107 10.207 -7.787 -9.897 1.00 72.25 H new ATOM 0 HZ3 LYS A 107 9.576 -6.478 -9.019 1.00 72.25 H new ATOM 1792 N LEU A 108 3.576 -6.742 -6.585 1.00 74.15 N ATOM 1793 CA LEU A 108 2.818 -6.269 -5.432 1.00 10.12 C ATOM 1794 C LEU A 108 1.878 -7.363 -4.938 1.00 64.02 C ATOM 1795 O LEU A 108 1.670 -7.525 -3.733 1.00 44.02 O ATOM 1796 CB LEU A 108 2.015 -5.007 -5.780 1.00 12.30 C ATOM 1797 CG LEU A 108 2.801 -3.686 -5.798 1.00 71.43 C ATOM 1798 CD1 LEU A 108 3.880 -3.692 -6.871 1.00 31.44 C ATOM 1799 CD2 LEU A 108 1.851 -2.516 -6.008 1.00 44.42 C ATOM 0 H LEU A 108 3.240 -6.393 -7.483 1.00 74.15 H new ATOM 0 HA LEU A 108 3.525 -6.018 -4.641 1.00 10.12 H new ATOM 0 HB2 LEU A 108 1.561 -5.149 -6.761 1.00 12.30 H new ATOM 0 HB3 LEU A 108 1.200 -4.911 -5.063 1.00 12.30 H new ATOM 0 HG LEU A 108 3.296 -3.576 -4.833 1.00 71.43 H new ATOM 0 HD11 LEU A 108 4.415 -2.742 -6.854 1.00 31.44 H new ATOM 0 HD12 LEU A 108 4.579 -4.506 -6.679 1.00 31.44 H new ATOM 0 HD13 LEU A 108 3.420 -3.832 -7.849 1.00 31.44 H new ATOM 0 HD21 LEU A 108 2.417 -1.585 -6.019 1.00 44.42 H new ATOM 0 HD22 LEU A 108 1.331 -2.636 -6.958 1.00 44.42 H new ATOM 0 HD23 LEU A 108 1.123 -2.488 -5.197 1.00 44.42 H new ATOM 1811 N TRP A 109 1.324 -8.113 -5.885 1.00 73.42 N ATOM 1812 CA TRP A 109 0.401 -9.198 -5.578 1.00 33.24 C ATOM 1813 C TRP A 109 1.079 -10.274 -4.729 1.00 61.11 C ATOM 1814 O TRP A 109 0.731 -10.456 -3.563 1.00 3.34 O ATOM 1815 CB TRP A 109 -0.146 -9.798 -6.880 1.00 41.45 C ATOM 1816 CG TRP A 109 -1.051 -10.971 -6.673 1.00 42.12 C ATOM 1817 CD1 TRP A 109 -2.038 -11.095 -5.742 1.00 63.12 C ATOM 1818 CD2 TRP A 109 -1.061 -12.185 -7.432 1.00 51.02 C ATOM 1819 NE1 TRP A 109 -2.644 -12.320 -5.859 1.00 75.12 N ATOM 1820 CE2 TRP A 109 -2.067 -13.006 -6.892 1.00 52.33 C ATOM 1821 CE3 TRP A 109 -0.311 -12.659 -8.511 1.00 41.14 C ATOM 1822 CZ2 TRP A 109 -2.341 -14.273 -7.392 1.00 14.02 C ATOM 1823 CZ3 TRP A 109 -0.588 -13.916 -9.011 1.00 32.40 C ATOM 1824 CH2 TRP A 109 -1.595 -14.711 -8.451 1.00 0.43 C ATOM 0 H TRP A 109 1.501 -7.986 -6.881 1.00 73.42 H new ATOM 0 HA TRP A 109 -0.429 -8.795 -4.997 1.00 33.24 H new ATOM 0 HB2 TRP A 109 -0.688 -9.025 -7.425 1.00 41.45 H new ATOM 0 HB3 TRP A 109 0.691 -10.104 -7.508 1.00 41.45 H new ATOM 0 HD1 TRP A 109 -2.304 -10.339 -5.018 1.00 63.12 H new ATOM 0 HE1 TRP A 109 -3.403 -12.664 -5.270 1.00 75.12 H new ATOM 0 HE3 TRP A 109 0.471 -12.054 -8.946 1.00 41.14 H new ATOM 0 HZ2 TRP A 109 -3.115 -14.890 -6.960 1.00 14.02 H new ATOM 0 HZ3 TRP A 109 -0.018 -14.292 -9.848 1.00 32.40 H new ATOM 0 HH2 TRP A 109 -1.787 -15.690 -8.864 1.00 0.43 H new ATOM 1835 N ARG A 110 2.070 -10.950 -5.300 1.00 31.14 N ATOM 1836 CA ARG A 110 2.738 -12.067 -4.628 1.00 64.31 C ATOM 1837 C ARG A 110 3.335 -11.634 -3.290 1.00 42.24 C ATOM 1838 O ARG A 110 3.412 -12.425 -2.347 1.00 70.35 O ATOM 1839 CB ARG A 110 3.823 -12.649 -5.538 1.00 51.51 C ATOM 1840 CG ARG A 110 3.266 -13.227 -6.829 1.00 45.53 C ATOM 1841 CD ARG A 110 4.356 -13.501 -7.851 1.00 33.41 C ATOM 1842 NE ARG A 110 5.268 -14.566 -7.438 1.00 64.05 N ATOM 1843 CZ ARG A 110 5.994 -15.290 -8.289 1.00 60.12 C ATOM 1844 NH1 ARG A 110 5.945 -15.037 -9.594 1.00 64.22 N ATOM 1845 NH2 ARG A 110 6.781 -16.255 -7.833 1.00 45.22 N ATOM 0 H ARG A 110 2.432 -10.745 -6.231 1.00 31.14 H new ATOM 0 HA ARG A 110 1.994 -12.837 -4.423 1.00 64.31 H new ATOM 0 HB2 ARG A 110 4.546 -11.869 -5.777 1.00 51.51 H new ATOM 0 HB3 ARG A 110 4.362 -13.429 -5.000 1.00 51.51 H new ATOM 0 HG2 ARG A 110 2.734 -14.153 -6.611 1.00 45.53 H new ATOM 0 HG3 ARG A 110 2.539 -12.533 -7.252 1.00 45.53 H new ATOM 0 HD2 ARG A 110 3.896 -13.772 -8.801 1.00 33.41 H new ATOM 0 HD3 ARG A 110 4.926 -12.587 -8.021 1.00 33.41 H new ATOM 0 HE ARG A 110 5.354 -14.766 -6.442 1.00 64.05 H new ATOM 0 HH11 ARG A 110 5.350 -14.287 -9.946 1.00 64.22 H new ATOM 0 HH12 ARG A 110 6.502 -15.593 -10.243 1.00 64.22 H new ATOM 0 HH21 ARG A 110 6.830 -16.443 -6.832 1.00 45.22 H new ATOM 0 HH22 ARG A 110 7.337 -16.810 -8.484 1.00 45.22 H new ATOM 1859 N ARG A 111 3.728 -10.367 -3.207 1.00 21.52 N ATOM 1860 CA ARG A 111 4.281 -9.807 -1.980 1.00 64.35 C ATOM 1861 C ARG A 111 3.256 -9.847 -0.850 1.00 42.54 C ATOM 1862 O ARG A 111 3.566 -10.267 0.267 1.00 32.12 O ATOM 1863 CB ARG A 111 4.740 -8.361 -2.215 1.00 72.54 C ATOM 1864 CG ARG A 111 5.286 -7.667 -0.973 1.00 22.43 C ATOM 1865 CD ARG A 111 6.544 -8.343 -0.447 1.00 31.22 C ATOM 1866 NE ARG A 111 7.639 -8.289 -1.412 1.00 4.52 N ATOM 1867 CZ ARG A 111 8.928 -8.317 -1.083 1.00 44.21 C ATOM 1868 NH1 ARG A 111 9.295 -8.322 0.194 1.00 53.42 N ATOM 1869 NH2 ARG A 111 9.852 -8.304 -2.037 1.00 2.41 N ATOM 0 H ARG A 111 3.673 -9.705 -3.981 1.00 21.52 H new ATOM 0 HA ARG A 111 5.139 -10.413 -1.690 1.00 64.35 H new ATOM 0 HB2 ARG A 111 5.510 -8.357 -2.987 1.00 72.54 H new ATOM 0 HB3 ARG A 111 3.900 -7.783 -2.600 1.00 72.54 H new ATOM 0 HG2 ARG A 111 5.505 -6.625 -1.207 1.00 22.43 H new ATOM 0 HG3 ARG A 111 4.523 -7.665 -0.194 1.00 22.43 H new ATOM 0 HD2 ARG A 111 6.854 -7.861 0.480 1.00 31.22 H new ATOM 0 HD3 ARG A 111 6.323 -9.383 -0.207 1.00 31.22 H new ATOM 0 HE ARG A 111 7.400 -8.226 -2.402 1.00 4.52 H new ATOM 0 HH11 ARG A 111 8.587 -8.304 0.928 1.00 53.42 H new ATOM 0 HH12 ARG A 111 10.285 -8.344 0.440 1.00 53.42 H new ATOM 0 HH21 ARG A 111 9.572 -8.273 -3.017 1.00 2.41 H new ATOM 0 HH22 ARG A 111 10.841 -8.325 -1.789 1.00 2.41 H new ATOM 1883 N HIS A 112 2.030 -9.428 -1.145 1.00 63.12 N ATOM 1884 CA HIS A 112 1.008 -9.324 -0.110 1.00 63.12 C ATOM 1885 C HIS A 112 0.455 -10.703 0.253 1.00 41.31 C ATOM 1886 O HIS A 112 -0.021 -10.905 1.366 1.00 71.44 O ATOM 1887 CB HIS A 112 -0.123 -8.365 -0.539 1.00 24.30 C ATOM 1888 CG HIS A 112 -1.360 -9.031 -1.081 1.00 72.25 C ATOM 1889 ND1 HIS A 112 -2.433 -9.377 -0.289 1.00 3.35 N ATOM 1890 CD2 HIS A 112 -1.681 -9.430 -2.331 1.00 10.23 C ATOM 1891 CE1 HIS A 112 -3.354 -9.957 -1.031 1.00 71.42 C ATOM 1892 NE2 HIS A 112 -2.925 -10.006 -2.276 1.00 34.23 N ATOM 0 H HIS A 112 1.722 -9.158 -2.079 1.00 63.12 H new ATOM 0 HA HIS A 112 1.475 -8.906 0.782 1.00 63.12 H new ATOM 0 HB2 HIS A 112 -0.405 -7.755 0.319 1.00 24.30 H new ATOM 0 HB3 HIS A 112 0.267 -7.686 -1.298 1.00 24.30 H new ATOM 0 HD2 HIS A 112 -1.069 -9.316 -3.214 1.00 10.23 H new ATOM 0 HE1 HIS A 112 -4.304 -10.331 -0.677 1.00 71.42 H new ATOM 0 HE2 HIS A 112 -3.432 -10.405 -3.066 1.00 34.23 H new ATOM 1901 N CYS A 113 0.516 -11.641 -0.691 1.00 51.43 N ATOM 1902 CA CYS A 113 0.004 -12.991 -0.460 1.00 62.32 C ATOM 1903 C CYS A 113 0.806 -13.694 0.630 1.00 44.14 C ATOM 1904 O CYS A 113 0.243 -14.347 1.508 1.00 21.00 O ATOM 1905 CB CYS A 113 0.059 -13.812 -1.751 1.00 45.32 C ATOM 1906 SG CYS A 113 -0.749 -13.028 -3.162 1.00 21.52 S ATOM 0 H CYS A 113 0.913 -11.492 -1.619 1.00 51.43 H new ATOM 0 HA CYS A 113 -1.033 -12.907 -0.134 1.00 62.32 H new ATOM 0 HB2 CYS A 113 1.102 -14.002 -2.003 1.00 45.32 H new ATOM 0 HB3 CYS A 113 -0.407 -14.781 -1.572 1.00 45.32 H new ATOM 0 HG CYS A 113 -0.341 -11.798 -3.268 1.00 21.52 H new ATOM 1912 N ARG A 114 2.123 -13.535 0.576 1.00 60.13 N ATOM 1913 CA ARG A 114 3.016 -14.183 1.528 1.00 40.20 C ATOM 1914 C ARG A 114 2.844 -13.574 2.918 1.00 13.35 C ATOM 1915 O ARG A 114 2.694 -14.289 3.908 1.00 24.30 O ATOM 1916 CB ARG A 114 4.469 -14.032 1.065 1.00 52.22 C ATOM 1917 CG ARG A 114 5.447 -14.955 1.773 1.00 54.11 C ATOM 1918 CD ARG A 114 5.149 -16.414 1.472 1.00 62.51 C ATOM 1919 NE ARG A 114 6.224 -17.298 1.916 1.00 12.44 N ATOM 1920 CZ ARG A 114 6.603 -18.395 1.263 1.00 70.32 C ATOM 1921 NH1 ARG A 114 5.969 -18.766 0.163 1.00 11.53 N ATOM 1922 NH2 ARG A 114 7.612 -19.124 1.722 1.00 42.45 N ATOM 0 H ARG A 114 2.597 -12.960 -0.120 1.00 60.13 H new ATOM 0 HA ARG A 114 2.765 -15.243 1.579 1.00 40.20 H new ATOM 0 HB2 ARG A 114 4.519 -14.222 -0.007 1.00 52.22 H new ATOM 0 HB3 ARG A 114 4.783 -13.000 1.221 1.00 52.22 H new ATOM 0 HG2 ARG A 114 6.464 -14.718 1.461 1.00 54.11 H new ATOM 0 HG3 ARG A 114 5.396 -14.786 2.849 1.00 54.11 H new ATOM 0 HD2 ARG A 114 4.218 -16.702 1.961 1.00 62.51 H new ATOM 0 HD3 ARG A 114 4.997 -16.539 0.400 1.00 62.51 H new ATOM 0 HE ARG A 114 6.714 -17.061 2.779 1.00 12.44 H new ATOM 0 HH11 ARG A 114 5.188 -18.211 -0.187 1.00 11.53 H new ATOM 0 HH12 ARG A 114 6.261 -19.607 -0.335 1.00 11.53 H new ATOM 0 HH21 ARG A 114 8.097 -18.844 2.575 1.00 42.45 H new ATOM 0 HH22 ARG A 114 7.903 -19.964 1.222 1.00 42.45 H new ATOM 1936 N LEU A 115 2.835 -12.249 2.974 1.00 61.41 N ATOM 1937 CA LEU A 115 2.745 -11.532 4.242 1.00 41.22 C ATOM 1938 C LEU A 115 1.383 -11.736 4.905 1.00 42.35 C ATOM 1939 O LEU A 115 1.264 -11.686 6.132 1.00 63.42 O ATOM 1940 CB LEU A 115 3.007 -10.040 4.019 1.00 12.12 C ATOM 1941 CG LEU A 115 3.051 -9.186 5.287 1.00 32.23 C ATOM 1942 CD1 LEU A 115 4.160 -9.657 6.214 1.00 71.04 C ATOM 1943 CD2 LEU A 115 3.245 -7.722 4.929 1.00 32.24 C ATOM 0 H LEU A 115 2.889 -11.646 2.153 1.00 61.41 H new ATOM 0 HA LEU A 115 3.504 -11.935 4.912 1.00 41.22 H new ATOM 0 HB2 LEU A 115 3.956 -9.929 3.494 1.00 12.12 H new ATOM 0 HB3 LEU A 115 2.231 -9.646 3.363 1.00 12.12 H new ATOM 0 HG LEU A 115 2.100 -9.295 5.809 1.00 32.23 H new ATOM 0 HD11 LEU A 115 4.174 -9.036 7.110 1.00 71.04 H new ATOM 0 HD12 LEU A 115 3.983 -10.695 6.495 1.00 71.04 H new ATOM 0 HD13 LEU A 115 5.120 -9.578 5.703 1.00 71.04 H new ATOM 0 HD21 LEU A 115 3.275 -7.125 5.841 1.00 32.24 H new ATOM 0 HD22 LEU A 115 4.182 -7.601 4.386 1.00 32.24 H new ATOM 0 HD23 LEU A 115 2.417 -7.388 4.303 1.00 32.24 H new ATOM 1955 N ALA A 116 0.360 -11.994 4.096 1.00 53.12 N ATOM 1956 CA ALA A 116 -0.994 -12.193 4.609 1.00 13.43 C ATOM 1957 C ALA A 116 -1.109 -13.508 5.379 1.00 64.45 C ATOM 1958 O ALA A 116 -2.104 -13.754 6.059 1.00 41.35 O ATOM 1959 CB ALA A 116 -2.004 -12.158 3.472 1.00 71.55 C ATOM 0 H ALA A 116 0.442 -12.070 3.082 1.00 53.12 H new ATOM 0 HA ALA A 116 -1.211 -11.378 5.300 1.00 13.43 H new ATOM 0 HB1 ALA A 116 -3.007 -12.308 3.872 1.00 71.55 H new ATOM 0 HB2 ALA A 116 -1.954 -11.192 2.970 1.00 71.55 H new ATOM 0 HB3 ALA A 116 -1.776 -12.950 2.758 1.00 71.55 H new ATOM 1965 N ARG A 117 -0.092 -14.351 5.256 1.00 30.43 N ATOM 1966 CA ARG A 117 -0.058 -15.619 5.967 1.00 42.13 C ATOM 1967 C ARG A 117 1.121 -15.636 6.932 1.00 53.41 C ATOM 1968 O ARG A 117 1.421 -16.654 7.560 1.00 42.23 O ATOM 1969 CB ARG A 117 0.040 -16.771 4.967 1.00 2.01 C ATOM 1970 CG ARG A 117 -1.049 -16.725 3.909 1.00 60.25 C ATOM 1971 CD ARG A 117 -0.907 -17.840 2.894 1.00 55.55 C ATOM 1972 NE ARG A 117 -1.798 -17.635 1.753 1.00 2.23 N ATOM 1973 CZ ARG A 117 -1.932 -18.492 0.744 1.00 72.54 C ATOM 1974 NH1 ARG A 117 -1.298 -19.660 0.764 1.00 41.44 N ATOM 1975 NH2 ARG A 117 -2.723 -18.190 -0.276 1.00 74.45 N ATOM 0 H ARG A 117 0.723 -14.177 4.668 1.00 30.43 H new ATOM 0 HA ARG A 117 -0.976 -15.740 6.542 1.00 42.13 H new ATOM 0 HB2 ARG A 117 1.015 -16.742 4.480 1.00 2.01 H new ATOM 0 HB3 ARG A 117 -0.020 -17.718 5.503 1.00 2.01 H new ATOM 0 HG2 ARG A 117 -2.024 -16.796 4.390 1.00 60.25 H new ATOM 0 HG3 ARG A 117 -1.016 -15.763 3.397 1.00 60.25 H new ATOM 0 HD2 ARG A 117 0.125 -17.890 2.548 1.00 55.55 H new ATOM 0 HD3 ARG A 117 -1.132 -18.796 3.367 1.00 55.55 H new ATOM 0 HE ARG A 117 -2.353 -16.779 1.729 1.00 2.23 H new ATOM 0 HH11 ARG A 117 -0.704 -19.904 1.556 1.00 41.44 H new ATOM 0 HH12 ARG A 117 -1.405 -20.312 -0.013 1.00 41.44 H new ATOM 0 HH21 ARG A 117 -3.227 -17.303 -0.286 1.00 74.45 H new ATOM 0 HH22 ARG A 117 -2.828 -18.845 -1.051 1.00 74.45 H new ATOM 1989 N GLY A 118 1.777 -14.487 7.048 1.00 51.12 N ATOM 1990 CA GLY A 118 2.910 -14.359 7.937 1.00 53.13 C ATOM 1991 C GLY A 118 4.162 -14.986 7.365 1.00 63.23 C ATOM 1992 O GLY A 118 4.741 -14.475 6.405 1.00 2.33 O ATOM 0 H GLY A 118 1.540 -13.637 6.536 1.00 51.12 H new ATOM 0 HA2 GLY A 118 3.094 -13.304 8.138 1.00 53.13 H new ATOM 0 HA3 GLY A 118 2.675 -14.829 8.892 1.00 53.13 H new ATOM 1996 N SER A 119 4.587 -16.089 7.959 1.00 4.23 N ATOM 1997 CA SER A 119 5.767 -16.805 7.500 1.00 34.03 C ATOM 1998 C SER A 119 5.667 -18.279 7.883 1.00 1.03 C ATOM 1999 O SER A 119 6.163 -18.650 8.969 1.00 65.34 O ATOM 2000 CB SER A 119 7.034 -16.187 8.098 1.00 51.24 C ATOM 2001 OG SER A 119 7.123 -14.802 7.795 1.00 33.53 O ATOM 2002 OXT SER A 119 5.072 -19.057 7.110 1.00 0.00 O ATOM 0 H SER A 119 4.128 -16.511 8.767 1.00 4.23 H new ATOM 0 HA SER A 119 5.823 -16.726 6.414 1.00 34.03 H new ATOM 0 HB2 SER A 119 7.034 -16.326 9.179 1.00 51.24 H new ATOM 0 HB3 SER A 119 7.912 -16.704 7.710 1.00 51.24 H new ATOM 0 HG SER A 119 7.940 -14.433 8.190 1.00 33.53 H new TER 2008 SER A 119