USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1081 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 169:sc= -0.306 (180deg=-0.765) USER MOD Single : A 5 HIS : no HD1:sc= -0.902 K(o=-0.9,f=-2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.0535 (180deg=-0.55) USER MOD Single : A 17 THR OG1 : rot 80:sc= 0.75 USER MOD Single : A 19 ASN : amide:sc= -0.288 K(o=-0.29,f=-4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.315 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.378 USER MOD Single : A 29 THR OG1 : rot -87:sc=-0.00439 USER MOD Single : A 32 THR OG1 : rot 42:sc= 0.162 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0897 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 63:sc= -0.703 USER MOD Single : A 54 THR OG1 : rot 180:sc=0.000491 USER MOD Single : A 58 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 86:sc= 0.00247 USER MOD Single : A 61 SER OG : rot 118:sc= 0.911 USER MOD Single : A 62 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-7.8!) USER MOD Single : A 63 HIS : no HD1:sc= -1.7 X(o=-1.7,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0.978 (180deg=0.112) USER MOD Single : A 67 THR OG1 : rot 70:sc= 0.873 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 76 GLN : amide:sc= -3.46 K(o=-3.5,f=-5.3!) USER MOD Single : A 78 HIS : no HD1:sc=-0.00977 X(o=-0.0098,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.91 K(o=-2.9,f=-5.1) USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= -0.039 (180deg=-0.381) USER MOD Single : A 82 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= -0.518! (180deg=-1.06!) USER MOD Single : A 93 ASN : amide:sc= -0.784 K(o=-0.78,f=-4.8!) USER MOD Single : A 101 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.67) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 147:sc= -0.248 (180deg=-1.15) USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 115 ASN : amide:sc= -2.35! K(o=-2.4!,f=-0.1) USER MOD Single : A 121 LYS NZ :NH3+ 153:sc= -0.0694 (180deg=-0.387) USER MOD Single : A 122 THR OG1 : rot 81:sc= 0.0854 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -172:sc= -0.921 (180deg=-1.39!) USER MOD Single : A 128 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 129 SER OG : rot 180:sc= 0.211 USER MOD Single : A 130 LYS NZ :NH3+ -117:sc= -1.37 (180deg=-5.77!) USER MOD Single : A 132 SER OG : rot -51:sc= 0.971 USER MOD Single : A 133 SER OG : rot -37:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -25.806 16.902 9.308 1.00 6.27 N ATOM 2 CA GLU A 1 -26.701 15.733 9.075 1.00 5.40 C ATOM 3 C GLU A 1 -26.857 15.501 7.571 1.00 4.06 C ATOM 4 O GLU A 1 -27.644 14.684 7.138 1.00 2.60 O ATOM 5 CB GLU A 1 -28.072 16.009 9.694 1.00 5.51 C ATOM 6 CG GLU A 1 -28.580 17.373 9.224 1.00 5.18 C ATOM 7 CD GLU A 1 -30.021 17.572 9.696 1.00 5.58 C ATOM 8 OE1 GLU A 1 -30.547 16.671 10.328 1.00 5.95 O ATOM 9 OE2 GLU A 1 -30.575 18.622 9.415 1.00 5.92 O ATOM 0 H1 GLU A 1 -25.846 17.176 10.311 1.00 6.27 H new ATOM 0 H2 GLU A 1 -24.829 16.647 9.058 1.00 6.27 H new ATOM 0 H3 GLU A 1 -26.117 17.700 8.718 1.00 6.27 H new ATOM 0 HA GLU A 1 -26.267 14.846 9.536 1.00 5.40 H new ATOM 0 HB2 GLU A 1 -28.776 15.228 9.407 1.00 5.51 H new ATOM 0 HB3 GLU A 1 -28.002 15.990 10.782 1.00 5.51 H new ATOM 0 HG2 GLU A 1 -27.944 18.165 9.619 1.00 5.18 H new ATOM 0 HG3 GLU A 1 -28.530 17.436 8.137 1.00 5.18 H new ATOM 18 N ALA A 2 -26.112 16.215 6.771 1.00 4.83 N ATOM 19 CA ALA A 2 -26.219 16.035 5.296 1.00 4.20 C ATOM 20 C ALA A 2 -25.634 14.676 4.904 1.00 3.73 C ATOM 21 O ALA A 2 -25.442 14.384 3.740 1.00 3.52 O ATOM 22 CB ALA A 2 -25.442 17.147 4.590 1.00 5.69 C ATOM 0 H ALA A 2 -25.435 16.914 7.075 1.00 4.83 H new ATOM 0 HA ALA A 2 -27.267 16.078 4.999 1.00 4.20 H new ATOM 0 HB1 ALA A 2 -25.520 17.016 3.511 1.00 5.69 H new ATOM 0 HB2 ALA A 2 -25.858 18.115 4.869 1.00 5.69 H new ATOM 0 HB3 ALA A 2 -24.394 17.103 4.886 1.00 5.69 H new ATOM 28 N GLU A 3 -25.350 13.842 5.868 1.00 3.83 N ATOM 29 CA GLU A 3 -24.777 12.503 5.549 1.00 3.60 C ATOM 30 C GLU A 3 -25.892 11.575 5.061 1.00 2.29 C ATOM 31 O GLU A 3 -26.297 10.660 5.751 1.00 2.40 O ATOM 32 CB GLU A 3 -24.134 11.912 6.805 1.00 4.53 C ATOM 33 CG GLU A 3 -22.768 12.561 7.033 1.00 5.65 C ATOM 34 CD GLU A 3 -21.736 11.921 6.104 1.00 6.06 C ATOM 35 OE1 GLU A 3 -21.217 10.875 6.458 1.00 6.68 O ATOM 36 OE2 GLU A 3 -21.481 12.487 5.053 1.00 6.11 O ATOM 0 H GLU A 3 -25.490 14.030 6.861 1.00 3.83 H new ATOM 0 HA GLU A 3 -24.023 12.606 4.769 1.00 3.60 H new ATOM 0 HB2 GLU A 3 -24.777 12.080 7.669 1.00 4.53 H new ATOM 0 HB3 GLU A 3 -24.022 10.833 6.696 1.00 4.53 H new ATOM 0 HG2 GLU A 3 -22.827 13.633 6.844 1.00 5.65 H new ATOM 0 HG3 GLU A 3 -22.464 12.437 8.072 1.00 5.65 H new ATOM 43 N ALA A 4 -26.392 11.803 3.878 1.00 1.63 N ATOM 44 CA ALA A 4 -27.480 10.934 3.348 1.00 0.94 C ATOM 45 C ALA A 4 -26.956 9.506 3.182 1.00 0.89 C ATOM 46 O ALA A 4 -27.026 8.699 4.087 1.00 1.73 O ATOM 47 CB ALA A 4 -27.945 11.468 1.992 1.00 1.82 C ATOM 0 H ALA A 4 -26.094 12.554 3.255 1.00 1.63 H new ATOM 0 HA ALA A 4 -28.318 10.935 4.045 1.00 0.94 H new ATOM 0 HB1 ALA A 4 -28.741 10.832 1.604 1.00 1.82 H new ATOM 0 HB2 ALA A 4 -28.318 12.485 2.110 1.00 1.82 H new ATOM 0 HB3 ALA A 4 -27.108 11.467 1.294 1.00 1.82 H new ATOM 53 N HIS A 5 -26.429 9.189 2.031 1.00 0.93 N ATOM 54 CA HIS A 5 -25.900 7.814 1.806 1.00 1.46 C ATOM 55 C HIS A 5 -24.790 7.523 2.817 1.00 1.24 C ATOM 56 O HIS A 5 -24.741 8.104 3.883 1.00 1.77 O ATOM 57 CB HIS A 5 -25.337 7.711 0.386 1.00 1.96 C ATOM 58 CG HIS A 5 -26.387 8.136 -0.602 1.00 2.88 C ATOM 59 ND1 HIS A 5 -27.688 8.427 -0.220 1.00 4.24 N ATOM 60 CD2 HIS A 5 -26.346 8.324 -1.962 1.00 3.22 C ATOM 61 CE1 HIS A 5 -28.369 8.772 -1.328 1.00 4.82 C ATOM 62 NE2 HIS A 5 -27.597 8.726 -2.418 1.00 4.26 N ATOM 0 H HIS A 5 -26.342 9.823 1.237 1.00 0.93 H new ATOM 0 HA HIS A 5 -26.705 7.089 1.932 1.00 1.46 H new ATOM 0 HB2 HIS A 5 -24.453 8.341 0.287 1.00 1.96 H new ATOM 0 HB3 HIS A 5 -25.023 6.687 0.181 1.00 1.96 H new ATOM 0 HD2 HIS A 5 -25.474 8.181 -2.583 1.00 3.22 H new ATOM 0 HE1 HIS A 5 -29.412 9.052 -1.336 1.00 4.82 H new ATOM 0 HE2 HIS A 5 -27.867 8.940 -3.378 1.00 4.26 H new ATOM 70 N LYS A 6 -23.898 6.627 2.490 1.00 0.58 N ATOM 71 CA LYS A 6 -22.790 6.296 3.429 1.00 0.56 C ATOM 72 C LYS A 6 -21.517 6.007 2.631 1.00 0.49 C ATOM 73 O LYS A 6 -20.750 5.124 2.964 1.00 0.52 O ATOM 74 CB LYS A 6 -23.168 5.060 4.250 1.00 1.03 C ATOM 75 CG LYS A 6 -24.142 5.463 5.360 1.00 1.57 C ATOM 76 CD LYS A 6 -24.656 4.208 6.070 1.00 1.85 C ATOM 77 CE LYS A 6 -23.478 3.450 6.687 1.00 1.98 C ATOM 78 NZ LYS A 6 -23.962 2.634 7.837 1.00 2.68 N ATOM 0 H LYS A 6 -23.890 6.110 1.611 1.00 0.58 H new ATOM 0 HA LYS A 6 -22.617 7.138 4.099 1.00 0.56 H new ATOM 0 HB2 LYS A 6 -23.625 4.308 3.606 1.00 1.03 H new ATOM 0 HB3 LYS A 6 -22.274 4.610 4.682 1.00 1.03 H new ATOM 0 HG2 LYS A 6 -23.645 6.119 6.074 1.00 1.57 H new ATOM 0 HG3 LYS A 6 -24.977 6.024 4.940 1.00 1.57 H new ATOM 0 HD2 LYS A 6 -25.371 4.483 6.845 1.00 1.85 H new ATOM 0 HD3 LYS A 6 -25.184 3.568 5.363 1.00 1.85 H new ATOM 0 HE2 LYS A 6 -23.014 2.806 5.940 1.00 1.98 H new ATOM 0 HE3 LYS A 6 -22.714 4.152 7.021 1.00 1.98 H new ATOM 0 HZ1 LYS A 6 -23.163 2.118 8.257 1.00 2.68 H new ATOM 0 HZ2 LYS A 6 -24.385 3.259 8.552 1.00 2.68 H new ATOM 0 HZ3 LYS A 6 -24.676 1.955 7.505 1.00 2.68 H new ATOM 92 N CYS A 7 -21.285 6.744 1.580 1.00 0.44 N ATOM 93 CA CYS A 7 -20.060 6.512 0.762 1.00 0.38 C ATOM 94 C CYS A 7 -18.819 6.788 1.612 1.00 0.29 C ATOM 95 O CYS A 7 -18.768 7.741 2.363 1.00 0.34 O ATOM 96 CB CYS A 7 -20.070 7.450 -0.446 1.00 0.37 C ATOM 97 SG CYS A 7 -21.770 7.669 -1.028 1.00 0.94 S ATOM 0 H CYS A 7 -21.890 7.497 1.252 1.00 0.44 H new ATOM 0 HA CYS A 7 -20.042 5.477 0.419 1.00 0.38 H new ATOM 0 HB2 CYS A 7 -19.641 8.414 -0.174 1.00 0.37 H new ATOM 0 HB3 CYS A 7 -19.451 7.039 -1.244 1.00 0.37 H new ATOM 102 N ASP A 8 -17.818 5.959 1.502 1.00 0.18 N ATOM 103 CA ASP A 8 -16.581 6.173 2.305 1.00 0.12 C ATOM 104 C ASP A 8 -15.665 7.160 1.577 1.00 0.12 C ATOM 105 O ASP A 8 -15.486 7.087 0.377 1.00 0.24 O ATOM 106 CB ASP A 8 -15.852 4.840 2.486 1.00 0.12 C ATOM 107 CG ASP A 8 -14.826 4.968 3.613 1.00 0.36 C ATOM 108 OD1 ASP A 8 -15.127 5.635 4.588 1.00 0.80 O ATOM 109 OD2 ASP A 8 -13.756 4.395 3.481 1.00 1.58 O ATOM 0 H ASP A 8 -17.803 5.143 0.891 1.00 0.18 H new ATOM 0 HA ASP A 8 -16.848 6.576 3.282 1.00 0.12 H new ATOM 0 HB2 ASP A 8 -16.567 4.051 2.719 1.00 0.12 H new ATOM 0 HB3 ASP A 8 -15.355 4.556 1.558 1.00 0.12 H new ATOM 114 N ILE A 9 -15.082 8.083 2.294 1.00 0.25 N ATOM 115 CA ILE A 9 -14.179 9.072 1.641 1.00 0.25 C ATOM 116 C ILE A 9 -12.745 8.539 1.657 1.00 0.29 C ATOM 117 O ILE A 9 -11.966 8.801 0.762 1.00 0.50 O ATOM 118 CB ILE A 9 -14.240 10.397 2.403 1.00 0.28 C ATOM 119 CG1 ILE A 9 -13.284 11.401 1.753 1.00 0.33 C ATOM 120 CG2 ILE A 9 -13.828 10.170 3.858 1.00 0.33 C ATOM 121 CD1 ILE A 9 -13.937 12.785 1.730 1.00 0.43 C ATOM 0 H ILE A 9 -15.192 8.194 3.302 1.00 0.25 H new ATOM 0 HA ILE A 9 -14.496 9.231 0.610 1.00 0.25 H new ATOM 0 HB ILE A 9 -15.257 10.788 2.372 1.00 0.28 H new ATOM 0 HG12 ILE A 9 -12.347 11.439 2.308 1.00 0.33 H new ATOM 0 HG13 ILE A 9 -13.042 11.084 0.739 1.00 0.33 H new ATOM 0 HG21 ILE A 9 -13.872 11.115 4.400 1.00 0.33 H new ATOM 0 HG22 ILE A 9 -14.507 9.454 4.321 1.00 0.33 H new ATOM 0 HG23 ILE A 9 -12.811 9.779 3.891 1.00 0.33 H new ATOM 0 HD11 ILE A 9 -13.257 13.500 1.267 1.00 0.43 H new ATOM 0 HD12 ILE A 9 -14.863 12.741 1.156 1.00 0.43 H new ATOM 0 HD13 ILE A 9 -14.157 13.101 2.750 1.00 0.43 H new ATOM 133 N THR A 10 -12.390 7.794 2.667 1.00 0.24 N ATOM 134 CA THR A 10 -11.007 7.245 2.740 1.00 0.27 C ATOM 135 C THR A 10 -10.662 6.558 1.417 1.00 0.21 C ATOM 136 O THR A 10 -9.621 6.792 0.836 1.00 0.24 O ATOM 137 CB THR A 10 -10.920 6.229 3.881 1.00 0.32 C ATOM 138 OG1 THR A 10 -11.656 6.710 4.996 1.00 0.37 O ATOM 139 CG2 THR A 10 -9.456 6.031 4.281 1.00 0.38 C ATOM 0 H THR A 10 -12.999 7.541 3.446 1.00 0.24 H new ATOM 0 HA THR A 10 -10.303 8.057 2.923 1.00 0.27 H new ATOM 0 HB THR A 10 -11.336 5.276 3.553 1.00 0.32 H new ATOM 0 HG1 THR A 10 -11.603 6.060 5.728 1.00 0.37 H new ATOM 0 HG21 THR A 10 -9.396 5.307 5.094 1.00 0.38 H new ATOM 0 HG22 THR A 10 -8.891 5.663 3.424 1.00 0.38 H new ATOM 0 HG23 THR A 10 -9.037 6.982 4.610 1.00 0.38 H new ATOM 147 N LEU A 11 -11.529 5.710 0.936 1.00 0.15 N ATOM 148 CA LEU A 11 -11.250 5.008 -0.349 1.00 0.13 C ATOM 149 C LEU A 11 -10.943 6.039 -1.436 1.00 0.14 C ATOM 150 O LEU A 11 -10.265 5.753 -2.404 1.00 0.15 O ATOM 151 CB LEU A 11 -12.476 4.187 -0.756 1.00 0.07 C ATOM 152 CG LEU A 11 -12.890 3.278 0.402 1.00 0.13 C ATOM 153 CD1 LEU A 11 -14.122 2.466 -0.001 1.00 0.11 C ATOM 154 CD2 LEU A 11 -11.741 2.325 0.741 1.00 0.21 C ATOM 0 H LEU A 11 -12.418 5.473 1.377 1.00 0.15 H new ATOM 0 HA LEU A 11 -10.393 4.346 -0.224 1.00 0.13 H new ATOM 0 HB2 LEU A 11 -13.299 4.850 -1.023 1.00 0.07 H new ATOM 0 HB3 LEU A 11 -12.249 3.589 -1.639 1.00 0.07 H new ATOM 0 HG LEU A 11 -13.126 3.888 1.274 1.00 0.13 H new ATOM 0 HD11 LEU A 11 -14.417 1.818 0.825 1.00 0.11 H new ATOM 0 HD12 LEU A 11 -14.942 3.143 -0.241 1.00 0.11 H new ATOM 0 HD13 LEU A 11 -13.887 1.857 -0.874 1.00 0.11 H new ATOM 0 HD21 LEU A 11 -12.037 1.678 1.566 1.00 0.21 H new ATOM 0 HD22 LEU A 11 -11.504 1.716 -0.131 1.00 0.21 H new ATOM 0 HD23 LEU A 11 -10.863 2.902 1.030 1.00 0.21 H new ATOM 166 N GLN A 12 -11.437 7.238 -1.287 1.00 0.15 N ATOM 167 CA GLN A 12 -11.174 8.285 -2.314 1.00 0.17 C ATOM 168 C GLN A 12 -9.760 8.839 -2.132 1.00 0.17 C ATOM 169 O GLN A 12 -8.884 8.608 -2.942 1.00 0.22 O ATOM 170 CB GLN A 12 -12.190 9.419 -2.155 1.00 0.17 C ATOM 171 CG GLN A 12 -12.180 10.293 -3.410 1.00 0.19 C ATOM 172 CD GLN A 12 -13.106 11.493 -3.204 1.00 0.16 C ATOM 173 OE1 GLN A 12 -12.713 12.487 -2.626 1.00 1.07 O ATOM 174 NE2 GLN A 12 -14.330 11.444 -3.655 1.00 1.14 N ATOM 0 H GLN A 12 -12.011 7.537 -0.499 1.00 0.15 H new ATOM 0 HA GLN A 12 -11.266 7.849 -3.309 1.00 0.17 H new ATOM 0 HB2 GLN A 12 -13.187 9.008 -1.993 1.00 0.17 H new ATOM 0 HB3 GLN A 12 -11.946 10.020 -1.279 1.00 0.17 H new ATOM 0 HG2 GLN A 12 -11.166 10.634 -3.620 1.00 0.19 H new ATOM 0 HG3 GLN A 12 -12.506 9.712 -4.273 1.00 0.19 H new ATOM 0 HE21 GLN A 12 -14.662 10.610 -4.140 1.00 1.14 H new ATOM 0 HE22 GLN A 12 -14.955 12.239 -3.522 1.00 1.14 H new ATOM 183 N GLU A 13 -9.529 9.571 -1.076 1.00 0.16 N ATOM 184 CA GLU A 13 -8.171 10.139 -0.849 1.00 0.16 C ATOM 185 C GLU A 13 -7.126 9.025 -0.945 1.00 0.13 C ATOM 186 O GLU A 13 -5.954 9.276 -1.145 1.00 0.12 O ATOM 187 CB GLU A 13 -8.111 10.783 0.540 1.00 0.16 C ATOM 188 CG GLU A 13 -7.968 9.696 1.607 1.00 0.11 C ATOM 189 CD GLU A 13 -6.485 9.398 1.837 1.00 1.34 C ATOM 190 OE1 GLU A 13 -5.785 10.289 2.288 1.00 1.80 O ATOM 191 OE2 GLU A 13 -6.074 8.284 1.558 1.00 2.28 O ATOM 0 H GLU A 13 -10.221 9.799 -0.362 1.00 0.16 H new ATOM 0 HA GLU A 13 -7.963 10.894 -1.607 1.00 0.16 H new ATOM 0 HB2 GLU A 13 -7.269 11.473 0.595 1.00 0.16 H new ATOM 0 HB3 GLU A 13 -9.014 11.366 0.720 1.00 0.16 H new ATOM 0 HG2 GLU A 13 -8.433 10.022 2.538 1.00 0.11 H new ATOM 0 HG3 GLU A 13 -8.487 8.791 1.291 1.00 0.11 H new ATOM 198 N ILE A 14 -7.541 7.795 -0.808 1.00 0.19 N ATOM 199 CA ILE A 14 -6.570 6.668 -0.895 1.00 0.17 C ATOM 200 C ILE A 14 -6.177 6.449 -2.357 1.00 0.17 C ATOM 201 O ILE A 14 -5.012 6.460 -2.705 1.00 0.19 O ATOM 202 CB ILE A 14 -7.214 5.394 -0.342 1.00 0.17 C ATOM 203 CG1 ILE A 14 -7.085 5.380 1.183 1.00 0.19 C ATOM 204 CG2 ILE A 14 -6.504 4.170 -0.925 1.00 0.24 C ATOM 205 CD1 ILE A 14 -7.970 4.274 1.762 1.00 0.19 C ATOM 0 H ILE A 14 -8.509 7.522 -0.640 1.00 0.19 H new ATOM 0 HA ILE A 14 -5.681 6.907 -0.311 1.00 0.17 H new ATOM 0 HB ILE A 14 -8.268 5.369 -0.619 1.00 0.17 H new ATOM 0 HG12 ILE A 14 -6.046 5.216 1.469 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -7.379 6.347 1.592 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -6.962 3.262 -0.532 1.00 0.24 H new ATOM 0 HG22 ILE A 14 -6.594 4.180 -2.011 1.00 0.24 H new ATOM 0 HG23 ILE A 14 -5.450 4.194 -0.648 1.00 0.24 H new ATOM 0 HD11 ILE A 14 -7.877 4.265 2.848 1.00 0.19 H new ATOM 0 HD12 ILE A 14 -9.009 4.458 1.488 1.00 0.19 H new ATOM 0 HD13 ILE A 14 -7.655 3.310 1.363 1.00 0.19 H new ATOM 217 N ILE A 15 -7.139 6.248 -3.215 1.00 0.18 N ATOM 218 CA ILE A 15 -6.818 6.029 -4.655 1.00 0.20 C ATOM 219 C ILE A 15 -5.921 7.162 -5.156 1.00 0.20 C ATOM 220 O ILE A 15 -4.899 6.933 -5.771 1.00 0.21 O ATOM 221 CB ILE A 15 -8.114 6.006 -5.467 1.00 0.24 C ATOM 222 CG1 ILE A 15 -8.846 4.684 -5.220 1.00 0.27 C ATOM 223 CG2 ILE A 15 -7.787 6.136 -6.955 1.00 0.25 C ATOM 224 CD1 ILE A 15 -10.275 4.784 -5.754 1.00 0.38 C ATOM 0 H ILE A 15 -8.132 6.226 -2.983 1.00 0.18 H new ATOM 0 HA ILE A 15 -6.299 5.078 -4.772 1.00 0.20 H new ATOM 0 HB ILE A 15 -8.749 6.837 -5.161 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -8.319 3.867 -5.712 1.00 0.27 H new ATOM 0 HG13 ILE A 15 -8.860 4.458 -4.154 1.00 0.27 H new ATOM 0 HG21 ILE A 15 -8.711 6.120 -7.533 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -7.265 7.076 -7.132 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -7.152 5.305 -7.262 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -10.796 3.843 -5.578 1.00 0.38 H new ATOM 0 HD12 ILE A 15 -10.799 5.590 -5.241 1.00 0.38 H new ATOM 0 HD13 ILE A 15 -10.250 4.990 -6.824 1.00 0.38 H new ATOM 236 N LYS A 16 -6.297 8.386 -4.900 1.00 0.22 N ATOM 237 CA LYS A 16 -5.467 9.533 -5.364 1.00 0.22 C ATOM 238 C LYS A 16 -4.043 9.383 -4.823 1.00 0.19 C ATOM 239 O LYS A 16 -3.076 9.595 -5.528 1.00 0.23 O ATOM 240 CB LYS A 16 -6.072 10.841 -4.850 1.00 0.23 C ATOM 241 CG LYS A 16 -7.000 11.429 -5.916 1.00 0.45 C ATOM 242 CD LYS A 16 -7.651 12.705 -5.379 1.00 0.25 C ATOM 243 CE LYS A 16 -9.173 12.586 -5.486 1.00 1.21 C ATOM 244 NZ LYS A 16 -9.555 12.378 -6.911 1.00 2.51 N ATOM 0 H LYS A 16 -7.143 8.640 -4.390 1.00 0.22 H new ATOM 0 HA LYS A 16 -5.443 9.547 -6.454 1.00 0.22 H new ATOM 0 HB2 LYS A 16 -6.627 10.660 -3.929 1.00 0.23 H new ATOM 0 HB3 LYS A 16 -5.280 11.551 -4.611 1.00 0.23 H new ATOM 0 HG2 LYS A 16 -6.436 11.650 -6.822 1.00 0.45 H new ATOM 0 HG3 LYS A 16 -7.767 10.703 -6.186 1.00 0.45 H new ATOM 0 HD2 LYS A 16 -7.360 12.865 -4.341 1.00 0.25 H new ATOM 0 HD3 LYS A 16 -7.303 13.569 -5.944 1.00 0.25 H new ATOM 0 HE2 LYS A 16 -9.527 11.754 -4.878 1.00 1.21 H new ATOM 0 HE3 LYS A 16 -9.647 13.488 -5.099 1.00 1.21 H new ATOM 0 HZ1 LYS A 16 -10.496 12.787 -7.081 1.00 2.51 H new ATOM 0 HZ2 LYS A 16 -8.859 12.843 -7.528 1.00 2.51 H new ATOM 0 HZ3 LYS A 16 -9.577 11.359 -7.119 1.00 2.51 H new ATOM 258 N THR A 17 -3.906 9.020 -3.578 1.00 0.11 N ATOM 259 CA THR A 17 -2.544 8.858 -2.994 1.00 0.08 C ATOM 260 C THR A 17 -1.716 7.927 -3.883 1.00 0.14 C ATOM 261 O THR A 17 -0.569 8.196 -4.181 1.00 0.17 O ATOM 262 CB THR A 17 -2.657 8.257 -1.592 1.00 0.16 C ATOM 263 OG1 THR A 17 -3.622 8.984 -0.843 1.00 0.30 O ATOM 264 CG2 THR A 17 -1.301 8.332 -0.890 1.00 0.08 C ATOM 0 H THR A 17 -4.678 8.828 -2.939 1.00 0.11 H new ATOM 0 HA THR A 17 -2.057 9.831 -2.933 1.00 0.08 H new ATOM 0 HB THR A 17 -2.965 7.214 -1.668 1.00 0.16 H new ATOM 0 HG1 THR A 17 -4.522 8.690 -1.096 1.00 0.30 H new ATOM 0 HG21 THR A 17 -1.384 7.903 0.109 1.00 0.08 H new ATOM 0 HG22 THR A 17 -0.562 7.773 -1.465 1.00 0.08 H new ATOM 0 HG23 THR A 17 -0.988 9.373 -0.813 1.00 0.08 H new ATOM 272 N LEU A 18 -2.287 6.834 -4.308 1.00 0.24 N ATOM 273 CA LEU A 18 -1.532 5.888 -5.176 1.00 0.33 C ATOM 274 C LEU A 18 -1.074 6.614 -6.443 1.00 0.34 C ATOM 275 O LEU A 18 0.060 6.493 -6.863 1.00 0.43 O ATOM 276 CB LEU A 18 -2.439 4.714 -5.559 1.00 0.40 C ATOM 277 CG LEU A 18 -2.396 3.647 -4.461 1.00 0.95 C ATOM 278 CD1 LEU A 18 -3.634 2.756 -4.571 1.00 0.64 C ATOM 279 CD2 LEU A 18 -1.139 2.781 -4.619 1.00 1.63 C ATOM 0 H LEU A 18 -3.244 6.555 -4.092 1.00 0.24 H new ATOM 0 HA LEU A 18 -0.661 5.514 -4.637 1.00 0.33 H new ATOM 0 HB2 LEU A 18 -3.462 5.063 -5.700 1.00 0.40 H new ATOM 0 HB3 LEU A 18 -2.115 4.286 -6.508 1.00 0.40 H new ATOM 0 HG LEU A 18 -2.376 4.138 -3.488 1.00 0.95 H new ATOM 0 HD11 LEU A 18 -3.606 1.996 -3.790 1.00 0.64 H new ATOM 0 HD12 LEU A 18 -4.531 3.364 -4.453 1.00 0.64 H new ATOM 0 HD13 LEU A 18 -3.649 2.273 -5.548 1.00 0.64 H new ATOM 0 HD21 LEU A 18 -1.117 2.025 -3.834 1.00 1.63 H new ATOM 0 HD22 LEU A 18 -1.154 2.292 -5.593 1.00 1.63 H new ATOM 0 HD23 LEU A 18 -0.252 3.410 -4.542 1.00 1.63 H new ATOM 291 N ASN A 19 -1.946 7.366 -7.055 1.00 0.26 N ATOM 292 CA ASN A 19 -1.559 8.099 -8.294 1.00 0.28 C ATOM 293 C ASN A 19 -0.290 8.912 -8.030 1.00 0.27 C ATOM 294 O ASN A 19 0.596 8.985 -8.858 1.00 0.35 O ATOM 295 CB ASN A 19 -2.693 9.040 -8.706 1.00 0.28 C ATOM 296 CG ASN A 19 -3.926 8.219 -9.085 1.00 0.29 C ATOM 297 OD1 ASN A 19 -4.960 8.329 -8.455 1.00 1.42 O ATOM 298 ND2 ASN A 19 -3.862 7.394 -10.094 1.00 0.98 N ATOM 0 H ASN A 19 -2.910 7.505 -6.751 1.00 0.26 H new ATOM 0 HA ASN A 19 -1.372 7.384 -9.096 1.00 0.28 H new ATOM 0 HB2 ASN A 19 -2.932 9.718 -7.887 1.00 0.28 H new ATOM 0 HB3 ASN A 19 -2.380 9.656 -9.549 1.00 0.28 H new ATOM 0 HD21 ASN A 19 -4.679 6.842 -10.354 1.00 0.98 H new ATOM 0 HD22 ASN A 19 -2.995 7.301 -10.623 1.00 0.98 H new ATOM 305 N SER A 20 -0.196 9.524 -6.881 1.00 0.20 N ATOM 306 CA SER A 20 1.017 10.332 -6.566 1.00 0.20 C ATOM 307 C SER A 20 2.239 9.414 -6.509 1.00 0.18 C ATOM 308 O SER A 20 3.313 9.767 -6.955 1.00 0.20 O ATOM 309 CB SER A 20 0.833 11.020 -5.213 1.00 0.20 C ATOM 310 OG SER A 20 -0.259 11.927 -5.292 1.00 0.15 O ATOM 0 H SER A 20 -0.905 9.500 -6.148 1.00 0.20 H new ATOM 0 HA SER A 20 1.164 11.085 -7.340 1.00 0.20 H new ATOM 0 HB2 SER A 20 0.649 10.278 -4.437 1.00 0.20 H new ATOM 0 HB3 SER A 20 1.743 11.552 -4.936 1.00 0.20 H new ATOM 0 HG SER A 20 -0.381 12.369 -4.426 1.00 0.15 H new ATOM 316 N LEU A 21 2.085 8.239 -5.964 1.00 0.16 N ATOM 317 CA LEU A 21 3.240 7.300 -5.879 1.00 0.15 C ATOM 318 C LEU A 21 3.694 6.919 -7.289 1.00 0.21 C ATOM 319 O LEU A 21 4.872 6.909 -7.591 1.00 0.20 O ATOM 320 CB LEU A 21 2.815 6.040 -5.122 1.00 0.20 C ATOM 321 CG LEU A 21 3.104 6.214 -3.629 1.00 0.35 C ATOM 322 CD1 LEU A 21 2.251 5.229 -2.828 1.00 0.24 C ATOM 323 CD2 LEU A 21 4.587 5.941 -3.352 1.00 0.72 C ATOM 0 H LEU A 21 1.210 7.888 -5.574 1.00 0.16 H new ATOM 0 HA LEU A 21 4.063 7.782 -5.352 1.00 0.15 H new ATOM 0 HB2 LEU A 21 1.753 5.852 -5.277 1.00 0.20 H new ATOM 0 HB3 LEU A 21 3.352 5.174 -5.508 1.00 0.20 H new ATOM 0 HG LEU A 21 2.863 7.235 -3.333 1.00 0.35 H new ATOM 0 HD11 LEU A 21 2.456 5.352 -1.764 1.00 0.24 H new ATOM 0 HD12 LEU A 21 1.196 5.423 -3.019 1.00 0.24 H new ATOM 0 HD13 LEU A 21 2.493 4.210 -3.129 1.00 0.24 H new ATOM 0 HD21 LEU A 21 4.787 6.066 -2.288 1.00 0.72 H new ATOM 0 HD22 LEU A 21 4.831 4.921 -3.650 1.00 0.72 H new ATOM 0 HD23 LEU A 21 5.198 6.641 -3.921 1.00 0.72 H new ATOM 335 N THR A 22 2.771 6.604 -8.156 1.00 0.28 N ATOM 336 CA THR A 22 3.152 6.224 -9.545 1.00 0.36 C ATOM 337 C THR A 22 3.982 7.345 -10.174 1.00 0.36 C ATOM 338 O THR A 22 4.950 7.100 -10.866 1.00 0.42 O ATOM 339 CB THR A 22 1.888 5.996 -10.377 1.00 0.41 C ATOM 340 OG1 THR A 22 0.880 6.908 -9.963 1.00 0.21 O ATOM 341 CG2 THR A 22 1.395 4.562 -10.180 1.00 0.91 C ATOM 0 H THR A 22 1.770 6.593 -7.962 1.00 0.28 H new ATOM 0 HA THR A 22 3.741 5.307 -9.521 1.00 0.36 H new ATOM 0 HB THR A 22 2.113 6.157 -11.431 1.00 0.41 H new ATOM 0 HG1 THR A 22 1.287 7.777 -9.765 1.00 0.21 H new ATOM 0 HG21 THR A 22 0.495 4.402 -10.773 1.00 0.91 H new ATOM 0 HG22 THR A 22 2.169 3.864 -10.499 1.00 0.91 H new ATOM 0 HG23 THR A 22 1.169 4.396 -9.127 1.00 0.91 H new ATOM 349 N GLU A 23 3.612 8.573 -9.938 1.00 0.30 N ATOM 350 CA GLU A 23 4.382 9.708 -10.523 1.00 0.33 C ATOM 351 C GLU A 23 5.856 9.577 -10.135 1.00 0.29 C ATOM 352 O GLU A 23 6.738 9.990 -10.861 1.00 0.33 O ATOM 353 CB GLU A 23 3.828 11.030 -9.989 1.00 0.36 C ATOM 354 CG GLU A 23 2.832 11.610 -10.995 1.00 0.76 C ATOM 355 CD GLU A 23 1.999 12.700 -10.319 1.00 0.95 C ATOM 356 OE1 GLU A 23 1.144 12.356 -9.518 1.00 1.77 O ATOM 357 OE2 GLU A 23 2.229 13.862 -10.614 1.00 1.44 O ATOM 0 H GLU A 23 2.811 8.840 -9.366 1.00 0.30 H new ATOM 0 HA GLU A 23 4.289 9.689 -11.609 1.00 0.33 H new ATOM 0 HB2 GLU A 23 3.339 10.870 -9.028 1.00 0.36 H new ATOM 0 HB3 GLU A 23 4.642 11.735 -9.819 1.00 0.36 H new ATOM 0 HG2 GLU A 23 3.364 12.023 -11.852 1.00 0.76 H new ATOM 0 HG3 GLU A 23 2.181 10.822 -11.373 1.00 0.76 H new ATOM 364 N GLN A 24 6.129 9.005 -8.994 1.00 0.27 N ATOM 365 CA GLN A 24 7.545 8.846 -8.558 1.00 0.31 C ATOM 366 C GLN A 24 8.058 7.469 -8.986 1.00 0.38 C ATOM 367 O GLN A 24 7.296 6.535 -9.145 1.00 0.56 O ATOM 368 CB GLN A 24 7.627 8.970 -7.035 1.00 0.37 C ATOM 369 CG GLN A 24 7.043 10.314 -6.599 1.00 0.30 C ATOM 370 CD GLN A 24 8.116 11.129 -5.875 1.00 0.60 C ATOM 371 OE1 GLN A 24 8.595 10.733 -4.831 1.00 1.46 O ATOM 372 NE2 GLN A 24 8.518 12.259 -6.390 1.00 0.98 N ATOM 0 H GLN A 24 5.432 8.641 -8.345 1.00 0.27 H new ATOM 0 HA GLN A 24 8.157 9.622 -9.019 1.00 0.31 H new ATOM 0 HB2 GLN A 24 7.080 8.154 -6.563 1.00 0.37 H new ATOM 0 HB3 GLN A 24 8.664 8.889 -6.708 1.00 0.37 H new ATOM 0 HG2 GLN A 24 6.679 10.863 -7.468 1.00 0.30 H new ATOM 0 HG3 GLN A 24 6.188 10.155 -5.942 1.00 0.30 H new ATOM 0 HE21 GLN A 24 8.116 12.592 -7.266 1.00 0.98 H new ATOM 0 HE22 GLN A 24 9.234 12.809 -5.916 1.00 0.98 H new ATOM 381 N LYS A 25 9.342 7.335 -9.175 1.00 0.30 N ATOM 382 CA LYS A 25 9.898 6.017 -9.593 1.00 0.35 C ATOM 383 C LYS A 25 11.333 5.879 -9.080 1.00 0.36 C ATOM 384 O LYS A 25 12.284 6.115 -9.799 1.00 0.76 O ATOM 385 CB LYS A 25 9.892 5.923 -11.121 1.00 0.39 C ATOM 386 CG LYS A 25 8.449 5.930 -11.629 1.00 0.46 C ATOM 387 CD LYS A 25 8.422 5.496 -13.096 1.00 0.62 C ATOM 388 CE LYS A 25 6.975 5.449 -13.589 1.00 0.77 C ATOM 389 NZ LYS A 25 6.470 4.048 -13.512 1.00 1.97 N ATOM 0 H LYS A 25 10.029 8.080 -9.058 1.00 0.30 H new ATOM 0 HA LYS A 25 9.286 5.217 -9.176 1.00 0.35 H new ATOM 0 HB2 LYS A 25 10.443 6.760 -11.549 1.00 0.39 H new ATOM 0 HB3 LYS A 25 10.397 5.012 -11.442 1.00 0.39 H new ATOM 0 HG2 LYS A 25 7.838 5.257 -11.028 1.00 0.46 H new ATOM 0 HG3 LYS A 25 8.021 6.927 -11.526 1.00 0.46 H new ATOM 0 HD2 LYS A 25 9.001 6.192 -13.703 1.00 0.62 H new ATOM 0 HD3 LYS A 25 8.886 4.516 -13.205 1.00 0.62 H new ATOM 0 HE2 LYS A 25 6.351 6.106 -12.983 1.00 0.77 H new ATOM 0 HE3 LYS A 25 6.917 5.812 -14.615 1.00 0.77 H new ATOM 0 HZ1 LYS A 25 5.486 4.015 -13.847 1.00 1.97 H new ATOM 0 HZ2 LYS A 25 7.060 3.433 -14.108 1.00 1.97 H new ATOM 0 HZ3 LYS A 25 6.512 3.718 -12.527 1.00 1.97 H new ATOM 403 N THR A 26 11.497 5.496 -7.844 1.00 0.13 N ATOM 404 CA THR A 26 12.871 5.341 -7.287 1.00 0.04 C ATOM 405 C THR A 26 13.329 3.892 -7.464 1.00 0.09 C ATOM 406 O THR A 26 12.565 3.035 -7.863 1.00 0.24 O ATOM 407 CB THR A 26 12.863 5.695 -5.798 1.00 0.04 C ATOM 408 OG1 THR A 26 12.158 4.693 -5.079 1.00 0.32 O ATOM 409 CG2 THR A 26 12.177 7.048 -5.597 1.00 0.27 C ATOM 0 H THR A 26 10.739 5.284 -7.195 1.00 0.13 H new ATOM 0 HA THR A 26 13.554 6.007 -7.814 1.00 0.04 H new ATOM 0 HB THR A 26 13.888 5.752 -5.432 1.00 0.04 H new ATOM 0 HG1 THR A 26 12.014 4.992 -4.157 1.00 0.32 H new ATOM 0 HG21 THR A 26 12.172 7.299 -4.536 1.00 0.27 H new ATOM 0 HG22 THR A 26 12.718 7.816 -6.149 1.00 0.27 H new ATOM 0 HG23 THR A 26 11.151 6.994 -5.962 1.00 0.27 H new ATOM 417 N LEU A 27 14.569 3.609 -7.172 1.00 0.16 N ATOM 418 CA LEU A 27 15.066 2.213 -7.326 1.00 0.21 C ATOM 419 C LEU A 27 14.408 1.319 -6.273 1.00 0.17 C ATOM 420 O LEU A 27 14.551 0.112 -6.291 1.00 0.13 O ATOM 421 CB LEU A 27 16.588 2.188 -7.147 1.00 0.28 C ATOM 422 CG LEU A 27 16.948 2.530 -5.700 1.00 0.24 C ATOM 423 CD1 LEU A 27 17.335 1.250 -4.955 1.00 0.30 C ATOM 424 CD2 LEU A 27 18.130 3.501 -5.689 1.00 0.36 C ATOM 0 H LEU A 27 15.257 4.282 -6.835 1.00 0.16 H new ATOM 0 HA LEU A 27 14.815 1.845 -8.321 1.00 0.21 H new ATOM 0 HB2 LEU A 27 16.977 1.203 -7.405 1.00 0.28 H new ATOM 0 HB3 LEU A 27 17.054 2.902 -7.825 1.00 0.28 H new ATOM 0 HG LEU A 27 16.091 2.991 -5.210 1.00 0.24 H new ATOM 0 HD11 LEU A 27 17.592 1.493 -3.924 1.00 0.30 H new ATOM 0 HD12 LEU A 27 16.496 0.555 -4.966 1.00 0.30 H new ATOM 0 HD13 LEU A 27 18.194 0.790 -5.444 1.00 0.30 H new ATOM 0 HD21 LEU A 27 18.389 3.747 -4.659 1.00 0.36 H new ATOM 0 HD22 LEU A 27 18.987 3.037 -6.178 1.00 0.36 H new ATOM 0 HD23 LEU A 27 17.858 4.412 -6.222 1.00 0.36 H new ATOM 436 N CYS A 28 13.685 1.902 -5.358 1.00 0.20 N ATOM 437 CA CYS A 28 13.015 1.089 -4.305 1.00 0.18 C ATOM 438 C CYS A 28 11.953 0.196 -4.951 1.00 0.13 C ATOM 439 O CYS A 28 11.221 -0.501 -4.277 1.00 0.23 O ATOM 440 CB CYS A 28 12.349 2.020 -3.289 1.00 0.24 C ATOM 441 SG CYS A 28 12.822 1.527 -1.614 1.00 0.28 S ATOM 0 H CYS A 28 13.529 2.908 -5.294 1.00 0.20 H new ATOM 0 HA CYS A 28 13.754 0.468 -3.799 1.00 0.18 H new ATOM 0 HB2 CYS A 28 12.649 3.051 -3.474 1.00 0.24 H new ATOM 0 HB3 CYS A 28 11.265 1.979 -3.399 1.00 0.24 H new ATOM 446 N THR A 29 11.865 0.212 -6.253 1.00 0.22 N ATOM 447 CA THR A 29 10.851 -0.635 -6.942 1.00 0.26 C ATOM 448 C THR A 29 11.428 -2.033 -7.177 1.00 0.30 C ATOM 449 O THR A 29 10.750 -3.029 -7.027 1.00 0.55 O ATOM 450 CB THR A 29 10.484 -0.003 -8.285 1.00 0.46 C ATOM 451 OG1 THR A 29 11.653 0.119 -9.085 1.00 0.53 O ATOM 452 CG2 THR A 29 9.879 1.382 -8.051 1.00 0.54 C ATOM 0 H THR A 29 12.451 0.775 -6.869 1.00 0.22 H new ATOM 0 HA THR A 29 9.959 -0.710 -6.320 1.00 0.26 H new ATOM 0 HB THR A 29 9.757 -0.634 -8.796 1.00 0.46 H new ATOM 0 HG1 THR A 29 12.097 0.970 -8.887 1.00 0.53 H new ATOM 0 HG21 THR A 29 9.618 1.832 -9.009 1.00 0.54 H new ATOM 0 HG22 THR A 29 8.983 1.289 -7.438 1.00 0.54 H new ATOM 0 HG23 THR A 29 10.605 2.014 -7.539 1.00 0.54 H new ATOM 460 N GLU A 30 12.678 -2.114 -7.545 1.00 0.31 N ATOM 461 CA GLU A 30 13.297 -3.448 -7.789 1.00 0.35 C ATOM 462 C GLU A 30 13.109 -4.329 -6.554 1.00 0.27 C ATOM 463 O GLU A 30 13.330 -5.523 -6.592 1.00 0.43 O ATOM 464 CB GLU A 30 14.791 -3.272 -8.070 1.00 0.43 C ATOM 465 CG GLU A 30 15.045 -3.388 -9.575 1.00 1.00 C ATOM 466 CD GLU A 30 14.975 -4.857 -9.994 1.00 2.31 C ATOM 467 OE1 GLU A 30 15.836 -5.614 -9.576 1.00 3.07 O ATOM 468 OE2 GLU A 30 14.062 -5.200 -10.726 1.00 2.94 O ATOM 0 H GLU A 30 13.296 -1.315 -7.687 1.00 0.31 H new ATOM 0 HA GLU A 30 12.820 -3.920 -8.648 1.00 0.35 H new ATOM 0 HB2 GLU A 30 15.128 -2.301 -7.707 1.00 0.43 H new ATOM 0 HB3 GLU A 30 15.364 -4.029 -7.534 1.00 0.43 H new ATOM 0 HG2 GLU A 30 14.305 -2.807 -10.125 1.00 1.00 H new ATOM 0 HG3 GLU A 30 16.023 -2.975 -9.822 1.00 1.00 H new ATOM 475 N LEU A 31 12.702 -3.752 -5.457 1.00 0.14 N ATOM 476 CA LEU A 31 12.500 -4.557 -4.220 1.00 0.29 C ATOM 477 C LEU A 31 11.296 -5.482 -4.406 1.00 0.28 C ATOM 478 O LEU A 31 10.195 -5.040 -4.669 1.00 0.60 O ATOM 479 CB LEU A 31 12.246 -3.619 -3.039 1.00 0.36 C ATOM 480 CG LEU A 31 13.340 -2.553 -2.988 1.00 0.36 C ATOM 481 CD1 LEU A 31 13.092 -1.620 -1.801 1.00 0.59 C ATOM 482 CD2 LEU A 31 14.704 -3.230 -2.828 1.00 0.48 C ATOM 0 H LEU A 31 12.500 -2.756 -5.364 1.00 0.14 H new ATOM 0 HA LEU A 31 13.390 -5.155 -4.024 1.00 0.29 H new ATOM 0 HB2 LEU A 31 11.269 -3.147 -3.140 1.00 0.36 H new ATOM 0 HB3 LEU A 31 12.232 -4.185 -2.108 1.00 0.36 H new ATOM 0 HG LEU A 31 13.326 -1.975 -3.912 1.00 0.36 H new ATOM 0 HD11 LEU A 31 13.873 -0.860 -1.766 1.00 0.59 H new ATOM 0 HD12 LEU A 31 12.121 -1.137 -1.914 1.00 0.59 H new ATOM 0 HD13 LEU A 31 13.105 -2.197 -0.876 1.00 0.59 H new ATOM 0 HD21 LEU A 31 15.485 -2.471 -2.792 1.00 0.48 H new ATOM 0 HD22 LEU A 31 14.717 -3.809 -1.904 1.00 0.48 H new ATOM 0 HD23 LEU A 31 14.882 -3.894 -3.674 1.00 0.48 H new ATOM 494 N THR A 32 11.496 -6.764 -4.272 1.00 0.17 N ATOM 495 CA THR A 32 10.363 -7.716 -4.442 1.00 0.22 C ATOM 496 C THR A 32 9.529 -7.749 -3.159 1.00 0.13 C ATOM 497 O THR A 32 10.002 -8.140 -2.110 1.00 0.06 O ATOM 498 CB THR A 32 10.911 -9.116 -4.731 1.00 0.31 C ATOM 499 OG1 THR A 32 12.019 -9.374 -3.878 1.00 0.43 O ATOM 500 CG2 THR A 32 11.357 -9.200 -6.191 1.00 0.28 C ATOM 0 H THR A 32 12.395 -7.193 -4.052 1.00 0.17 H new ATOM 0 HA THR A 32 9.738 -7.392 -5.274 1.00 0.22 H new ATOM 0 HB THR A 32 10.132 -9.857 -4.549 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.820 -9.047 -2.976 1.00 0.43 H new ATOM 0 HG21 THR A 32 11.747 -10.197 -6.396 1.00 0.28 H new ATOM 0 HG22 THR A 32 10.506 -9.002 -6.843 1.00 0.28 H new ATOM 0 HG23 THR A 32 12.136 -8.461 -6.377 1.00 0.28 H new ATOM 508 N VAL A 33 8.291 -7.343 -3.234 1.00 0.19 N ATOM 509 CA VAL A 33 7.429 -7.352 -2.019 1.00 0.23 C ATOM 510 C VAL A 33 6.698 -8.691 -1.923 1.00 0.18 C ATOM 511 O VAL A 33 6.841 -9.551 -2.769 1.00 0.19 O ATOM 512 CB VAL A 33 6.407 -6.217 -2.111 1.00 0.36 C ATOM 513 CG1 VAL A 33 7.121 -4.912 -2.468 1.00 0.33 C ATOM 514 CG2 VAL A 33 5.378 -6.547 -3.195 1.00 0.49 C ATOM 0 H VAL A 33 7.840 -7.006 -4.084 1.00 0.19 H new ATOM 0 HA VAL A 33 8.048 -7.212 -1.133 1.00 0.23 H new ATOM 0 HB VAL A 33 5.903 -6.103 -1.151 1.00 0.36 H new ATOM 0 HG11 VAL A 33 6.392 -4.104 -2.533 1.00 0.33 H new ATOM 0 HG12 VAL A 33 7.855 -4.677 -1.698 1.00 0.33 H new ATOM 0 HG13 VAL A 33 7.625 -5.024 -3.428 1.00 0.33 H new ATOM 0 HG21 VAL A 33 4.649 -5.740 -3.262 1.00 0.49 H new ATOM 0 HG22 VAL A 33 5.883 -6.660 -4.154 1.00 0.49 H new ATOM 0 HG23 VAL A 33 4.868 -7.476 -2.942 1.00 0.49 H new ATOM 524 N THR A 34 5.914 -8.878 -0.896 1.00 0.26 N ATOM 525 CA THR A 34 5.174 -10.162 -0.747 1.00 0.21 C ATOM 526 C THR A 34 3.791 -10.033 -1.390 1.00 0.18 C ATOM 527 O THR A 34 3.125 -9.026 -1.255 1.00 0.42 O ATOM 528 CB THR A 34 5.015 -10.491 0.740 1.00 0.25 C ATOM 529 OG1 THR A 34 6.299 -10.562 1.345 1.00 0.43 O ATOM 530 CG2 THR A 34 4.300 -11.833 0.894 1.00 0.20 C ATOM 0 H THR A 34 5.754 -8.197 -0.154 1.00 0.26 H new ATOM 0 HA THR A 34 5.731 -10.960 -1.239 1.00 0.21 H new ATOM 0 HB THR A 34 4.426 -9.713 1.225 1.00 0.25 H new ATOM 0 HG1 THR A 34 6.201 -10.771 2.297 1.00 0.43 H new ATOM 0 HG21 THR A 34 4.188 -12.066 1.953 1.00 0.20 H new ATOM 0 HG22 THR A 34 3.316 -11.777 0.428 1.00 0.20 H new ATOM 0 HG23 THR A 34 4.886 -12.615 0.411 1.00 0.20 H new ATOM 538 N ASP A 35 3.355 -11.045 -2.090 1.00 0.14 N ATOM 539 CA ASP A 35 2.017 -10.978 -2.741 1.00 0.18 C ATOM 540 C ASP A 35 0.935 -11.334 -1.720 1.00 0.17 C ATOM 541 O ASP A 35 1.218 -11.861 -0.662 1.00 0.47 O ATOM 542 CB ASP A 35 1.965 -11.972 -3.904 1.00 0.34 C ATOM 543 CG ASP A 35 0.837 -11.581 -4.860 1.00 0.26 C ATOM 544 OD1 ASP A 35 -0.305 -11.585 -4.429 1.00 1.10 O ATOM 545 OD2 ASP A 35 1.132 -11.286 -6.006 1.00 0.96 O ATOM 0 H ASP A 35 3.868 -11.914 -2.239 1.00 0.14 H new ATOM 0 HA ASP A 35 1.846 -9.969 -3.116 1.00 0.18 H new ATOM 0 HB2 ASP A 35 2.918 -11.979 -4.433 1.00 0.34 H new ATOM 0 HB3 ASP A 35 1.802 -12.981 -3.526 1.00 0.34 H new ATOM 550 N ILE A 36 -0.302 -11.048 -2.027 1.00 0.30 N ATOM 551 CA ILE A 36 -1.403 -11.367 -1.074 1.00 0.24 C ATOM 552 C ILE A 36 -2.650 -11.781 -1.859 1.00 0.29 C ATOM 553 O ILE A 36 -3.406 -12.634 -1.437 1.00 0.29 O ATOM 554 CB ILE A 36 -1.720 -10.133 -0.228 1.00 0.11 C ATOM 555 CG1 ILE A 36 -2.235 -9.013 -1.137 1.00 0.10 C ATOM 556 CG2 ILE A 36 -0.452 -9.665 0.488 1.00 0.18 C ATOM 557 CD1 ILE A 36 -2.287 -7.700 -0.353 1.00 0.21 C ATOM 0 H ILE A 36 -0.597 -10.607 -2.898 1.00 0.30 H new ATOM 0 HA ILE A 36 -1.094 -12.184 -0.422 1.00 0.24 H new ATOM 0 HB ILE A 36 -2.482 -10.384 0.510 1.00 0.11 H new ATOM 0 HG12 ILE A 36 -1.583 -8.905 -2.004 1.00 0.10 H new ATOM 0 HG13 ILE A 36 -3.227 -9.263 -1.513 1.00 0.10 H new ATOM 0 HG21 ILE A 36 -0.678 -8.786 1.091 1.00 0.18 H new ATOM 0 HG22 ILE A 36 -0.083 -10.462 1.133 1.00 0.18 H new ATOM 0 HG23 ILE A 36 0.310 -9.413 -0.249 1.00 0.18 H new ATOM 0 HD11 ILE A 36 -2.654 -6.904 -1.001 1.00 0.21 H new ATOM 0 HD12 ILE A 36 -2.957 -7.812 0.500 1.00 0.21 H new ATOM 0 HD13 ILE A 36 -1.288 -7.448 0.002 1.00 0.21 H new ATOM 569 N PHE A 37 -2.872 -11.182 -2.997 1.00 0.37 N ATOM 570 CA PHE A 37 -4.070 -11.540 -3.806 1.00 0.48 C ATOM 571 C PHE A 37 -3.842 -12.894 -4.484 1.00 0.58 C ATOM 572 O PHE A 37 -4.699 -13.404 -5.178 1.00 0.69 O ATOM 573 CB PHE A 37 -4.304 -10.469 -4.873 1.00 0.51 C ATOM 574 CG PHE A 37 -4.211 -9.101 -4.242 1.00 0.39 C ATOM 575 CD1 PHE A 37 -5.231 -8.651 -3.393 1.00 0.47 C ATOM 576 CD2 PHE A 37 -3.106 -8.281 -4.503 1.00 0.28 C ATOM 577 CE1 PHE A 37 -5.146 -7.383 -2.807 1.00 0.49 C ATOM 578 CE2 PHE A 37 -3.022 -7.013 -3.915 1.00 0.22 C ATOM 579 CZ PHE A 37 -4.041 -6.564 -3.067 1.00 0.38 C ATOM 0 H PHE A 37 -2.275 -10.460 -3.401 1.00 0.37 H new ATOM 0 HA PHE A 37 -4.942 -11.601 -3.155 1.00 0.48 H new ATOM 0 HB2 PHE A 37 -3.565 -10.565 -5.668 1.00 0.51 H new ATOM 0 HB3 PHE A 37 -5.284 -10.604 -5.330 1.00 0.51 H new ATOM 0 HD1 PHE A 37 -6.083 -9.283 -3.191 1.00 0.47 H new ATOM 0 HD2 PHE A 37 -2.319 -8.626 -5.157 1.00 0.28 H new ATOM 0 HE1 PHE A 37 -5.933 -7.036 -2.154 1.00 0.49 H new ATOM 0 HE2 PHE A 37 -2.170 -6.381 -4.116 1.00 0.22 H new ATOM 0 HZ PHE A 37 -3.975 -5.586 -2.613 1.00 0.38 H new ATOM 589 N ALA A 38 -2.692 -13.478 -4.290 1.00 0.59 N ATOM 590 CA ALA A 38 -2.410 -14.798 -4.923 1.00 0.70 C ATOM 591 C ALA A 38 -2.842 -15.920 -3.977 1.00 0.67 C ATOM 592 O ALA A 38 -2.352 -17.029 -4.050 1.00 0.54 O ATOM 593 CB ALA A 38 -0.912 -14.917 -5.206 1.00 0.73 C ATOM 0 H ALA A 38 -1.935 -13.099 -3.721 1.00 0.59 H new ATOM 0 HA ALA A 38 -2.964 -14.879 -5.858 1.00 0.70 H new ATOM 0 HB1 ALA A 38 -0.705 -15.882 -5.669 1.00 0.73 H new ATOM 0 HB2 ALA A 38 -0.604 -14.118 -5.880 1.00 0.73 H new ATOM 0 HB3 ALA A 38 -0.358 -14.837 -4.271 1.00 0.73 H new ATOM 599 N ALA A 39 -3.755 -15.641 -3.087 1.00 0.78 N ATOM 600 CA ALA A 39 -4.216 -16.692 -2.137 1.00 0.75 C ATOM 601 C ALA A 39 -5.529 -16.252 -1.487 1.00 0.78 C ATOM 602 O ALA A 39 -5.799 -16.559 -0.342 1.00 0.88 O ATOM 603 CB ALA A 39 -3.156 -16.902 -1.055 1.00 0.72 C ATOM 0 H ALA A 39 -4.201 -14.730 -2.977 1.00 0.78 H new ATOM 0 HA ALA A 39 -4.373 -17.626 -2.677 1.00 0.75 H new ATOM 0 HB1 ALA A 39 -3.493 -17.671 -0.360 1.00 0.72 H new ATOM 0 HB2 ALA A 39 -2.221 -17.216 -1.518 1.00 0.72 H new ATOM 0 HB3 ALA A 39 -2.998 -15.969 -0.515 1.00 0.72 H new ATOM 609 N SER A 40 -6.347 -15.533 -2.206 1.00 0.76 N ATOM 610 CA SER A 40 -7.641 -15.074 -1.628 1.00 0.79 C ATOM 611 C SER A 40 -8.725 -16.115 -1.913 1.00 0.82 C ATOM 612 O SER A 40 -8.934 -16.514 -3.041 1.00 0.60 O ATOM 613 CB SER A 40 -8.036 -13.739 -2.260 1.00 0.80 C ATOM 614 OG SER A 40 -6.871 -13.083 -2.741 1.00 1.40 O ATOM 0 H SER A 40 -6.175 -15.244 -3.169 1.00 0.76 H new ATOM 0 HA SER A 40 -7.534 -14.948 -0.551 1.00 0.79 H new ATOM 0 HB2 SER A 40 -8.738 -13.904 -3.078 1.00 0.80 H new ATOM 0 HB3 SER A 40 -8.543 -13.112 -1.526 1.00 0.80 H new ATOM 0 HG SER A 40 -7.122 -12.228 -3.148 1.00 1.40 H new ATOM 620 N LYS A 41 -9.417 -16.557 -0.899 1.00 1.21 N ATOM 621 CA LYS A 41 -10.487 -17.572 -1.113 1.00 1.25 C ATOM 622 C LYS A 41 -11.601 -17.364 -0.085 1.00 1.16 C ATOM 623 O LYS A 41 -12.592 -16.715 -0.353 1.00 1.30 O ATOM 624 CB LYS A 41 -9.899 -18.975 -0.952 1.00 1.21 C ATOM 625 CG LYS A 41 -8.794 -19.189 -1.989 1.00 1.39 C ATOM 626 CD LYS A 41 -8.411 -20.669 -2.029 1.00 1.59 C ATOM 627 CE LYS A 41 -6.990 -20.813 -2.578 1.00 1.58 C ATOM 628 NZ LYS A 41 -6.881 -22.086 -3.346 1.00 2.28 N ATOM 0 H LYS A 41 -9.288 -16.259 0.068 1.00 1.21 H new ATOM 0 HA LYS A 41 -10.895 -17.463 -2.118 1.00 1.25 H new ATOM 0 HB2 LYS A 41 -9.497 -19.099 0.054 1.00 1.21 H new ATOM 0 HB3 LYS A 41 -10.680 -19.725 -1.078 1.00 1.21 H new ATOM 0 HG2 LYS A 41 -9.135 -18.864 -2.972 1.00 1.39 H new ATOM 0 HG3 LYS A 41 -7.923 -18.584 -1.738 1.00 1.39 H new ATOM 0 HD2 LYS A 41 -8.471 -21.098 -1.029 1.00 1.59 H new ATOM 0 HD3 LYS A 41 -9.112 -21.220 -2.656 1.00 1.59 H new ATOM 0 HE2 LYS A 41 -6.749 -19.966 -3.221 1.00 1.58 H new ATOM 0 HE3 LYS A 41 -6.270 -20.807 -1.760 1.00 1.58 H new ATOM 0 HZ1 LYS A 41 -5.915 -22.185 -3.719 1.00 2.28 H new ATOM 0 HZ2 LYS A 41 -7.094 -22.889 -2.720 1.00 2.28 H new ATOM 0 HZ3 LYS A 41 -7.558 -22.074 -4.135 1.00 2.28 H new ATOM 642 N ASP A 42 -11.446 -17.910 1.090 1.00 1.00 N ATOM 643 CA ASP A 42 -12.496 -17.744 2.134 1.00 0.95 C ATOM 644 C ASP A 42 -12.278 -16.419 2.869 1.00 0.93 C ATOM 645 O ASP A 42 -13.169 -15.904 3.515 1.00 1.14 O ATOM 646 CB ASP A 42 -12.411 -18.900 3.132 1.00 0.80 C ATOM 647 CG ASP A 42 -11.095 -18.811 3.907 1.00 0.95 C ATOM 648 OD1 ASP A 42 -10.054 -18.882 3.276 1.00 1.60 O ATOM 649 OD2 ASP A 42 -11.152 -18.675 5.118 1.00 2.27 O ATOM 0 H ASP A 42 -10.637 -18.464 1.372 1.00 1.00 H new ATOM 0 HA ASP A 42 -13.479 -17.742 1.664 1.00 0.95 H new ATOM 0 HB2 ASP A 42 -13.254 -18.862 3.821 1.00 0.80 H new ATOM 0 HB3 ASP A 42 -12.472 -19.853 2.607 1.00 0.80 H new ATOM 654 N THR A 43 -11.101 -15.865 2.776 1.00 0.81 N ATOM 655 CA THR A 43 -10.829 -14.574 3.470 1.00 0.80 C ATOM 656 C THR A 43 -11.638 -13.458 2.806 1.00 0.61 C ATOM 657 O THR A 43 -11.563 -13.250 1.611 1.00 0.31 O ATOM 658 CB THR A 43 -9.336 -14.249 3.374 1.00 0.89 C ATOM 659 OG1 THR A 43 -8.833 -14.704 2.126 1.00 1.07 O ATOM 660 CG2 THR A 43 -8.587 -14.944 4.512 1.00 1.32 C ATOM 0 H THR A 43 -10.316 -16.250 2.250 1.00 0.81 H new ATOM 0 HA THR A 43 -11.117 -14.656 4.518 1.00 0.80 H new ATOM 0 HB THR A 43 -9.193 -13.171 3.452 1.00 0.89 H new ATOM 0 HG1 THR A 43 -7.878 -14.495 2.063 1.00 1.07 H new ATOM 0 HG21 THR A 43 -7.524 -14.712 4.443 1.00 1.32 H new ATOM 0 HG22 THR A 43 -8.973 -14.594 5.469 1.00 1.32 H new ATOM 0 HG23 THR A 43 -8.729 -16.022 4.436 1.00 1.32 H new ATOM 668 N THR A 44 -12.410 -12.737 3.572 1.00 0.83 N ATOM 669 CA THR A 44 -13.223 -11.635 2.984 1.00 0.66 C ATOM 670 C THR A 44 -12.301 -10.487 2.568 1.00 0.53 C ATOM 671 O THR A 44 -11.120 -10.676 2.346 1.00 0.72 O ATOM 672 CB THR A 44 -14.227 -11.131 4.022 1.00 0.59 C ATOM 673 OG1 THR A 44 -13.528 -10.500 5.087 1.00 0.68 O ATOM 674 CG2 THR A 44 -15.035 -12.309 4.568 1.00 0.87 C ATOM 0 H THR A 44 -12.513 -12.863 4.579 1.00 0.83 H new ATOM 0 HA THR A 44 -13.759 -12.006 2.110 1.00 0.66 H new ATOM 0 HB THR A 44 -14.903 -10.415 3.555 1.00 0.59 H new ATOM 0 HG1 THR A 44 -14.170 -10.175 5.752 1.00 0.68 H new ATOM 0 HG21 THR A 44 -15.750 -11.948 5.307 1.00 0.87 H new ATOM 0 HG22 THR A 44 -15.571 -12.793 3.751 1.00 0.87 H new ATOM 0 HG23 THR A 44 -14.361 -13.027 5.035 1.00 0.87 H new ATOM 682 N GLU A 45 -12.828 -9.299 2.460 1.00 0.47 N ATOM 683 CA GLU A 45 -11.981 -8.142 2.059 1.00 0.38 C ATOM 684 C GLU A 45 -11.229 -7.612 3.281 1.00 0.31 C ATOM 685 O GLU A 45 -10.166 -7.034 3.166 1.00 0.28 O ATOM 686 CB GLU A 45 -12.867 -7.034 1.486 1.00 0.23 C ATOM 687 CG GLU A 45 -14.016 -7.659 0.692 1.00 0.14 C ATOM 688 CD GLU A 45 -13.451 -8.631 -0.345 1.00 2.06 C ATOM 689 OE1 GLU A 45 -12.888 -9.636 0.058 1.00 3.28 O ATOM 690 OE2 GLU A 45 -13.589 -8.355 -1.525 1.00 2.66 O ATOM 0 H GLU A 45 -13.809 -9.080 2.632 1.00 0.47 H new ATOM 0 HA GLU A 45 -11.265 -8.462 1.302 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -13.262 -6.416 2.292 1.00 0.23 H new ATOM 0 HB3 GLU A 45 -12.279 -6.380 0.842 1.00 0.23 H new ATOM 0 HG2 GLU A 45 -14.694 -8.183 1.365 1.00 0.14 H new ATOM 0 HG3 GLU A 45 -14.596 -6.880 0.197 1.00 0.14 H new ATOM 697 N LYS A 46 -11.772 -7.804 4.452 1.00 0.30 N ATOM 698 CA LYS A 46 -11.088 -7.312 5.681 1.00 0.24 C ATOM 699 C LYS A 46 -9.701 -7.950 5.784 1.00 0.26 C ATOM 700 O LYS A 46 -8.693 -7.273 5.765 1.00 0.24 O ATOM 701 CB LYS A 46 -11.915 -7.689 6.912 1.00 0.24 C ATOM 702 CG LYS A 46 -13.207 -6.869 6.930 1.00 0.22 C ATOM 703 CD LYS A 46 -13.158 -5.868 8.086 1.00 0.36 C ATOM 704 CE LYS A 46 -14.456 -5.059 8.115 1.00 0.57 C ATOM 705 NZ LYS A 46 -14.134 -3.603 8.120 1.00 1.70 N ATOM 0 H LYS A 46 -12.660 -8.280 4.611 1.00 0.30 H new ATOM 0 HA LYS A 46 -10.986 -6.228 5.630 1.00 0.24 H new ATOM 0 HB2 LYS A 46 -12.148 -8.754 6.895 1.00 0.24 H new ATOM 0 HB3 LYS A 46 -11.341 -7.503 7.820 1.00 0.24 H new ATOM 0 HG2 LYS A 46 -13.330 -6.342 5.984 1.00 0.22 H new ATOM 0 HG3 LYS A 46 -14.068 -7.528 7.042 1.00 0.22 H new ATOM 0 HD2 LYS A 46 -13.024 -6.394 9.031 1.00 0.36 H new ATOM 0 HD3 LYS A 46 -12.304 -5.201 7.968 1.00 0.36 H new ATOM 0 HE2 LYS A 46 -15.069 -5.304 7.248 1.00 0.57 H new ATOM 0 HE3 LYS A 46 -15.038 -5.317 9.000 1.00 0.57 H new ATOM 0 HZ1 LYS A 46 -15.016 -3.052 8.140 1.00 1.70 H new ATOM 0 HZ2 LYS A 46 -13.565 -3.376 8.961 1.00 1.70 H new ATOM 0 HZ3 LYS A 46 -13.596 -3.364 7.263 1.00 1.70 H new ATOM 719 N GLU A 47 -9.642 -9.249 5.891 1.00 0.35 N ATOM 720 CA GLU A 47 -8.321 -9.930 5.995 1.00 0.37 C ATOM 721 C GLU A 47 -7.465 -9.570 4.779 1.00 0.40 C ATOM 722 O GLU A 47 -6.259 -9.715 4.791 1.00 0.46 O ATOM 723 CB GLU A 47 -8.529 -11.445 6.041 1.00 0.42 C ATOM 724 CG GLU A 47 -9.023 -11.850 7.432 1.00 0.44 C ATOM 725 CD GLU A 47 -7.871 -11.750 8.433 1.00 1.53 C ATOM 726 OE1 GLU A 47 -6.763 -11.468 8.005 1.00 2.36 O ATOM 727 OE2 GLU A 47 -8.114 -11.957 9.609 1.00 2.52 O ATOM 0 H GLU A 47 -10.452 -9.868 5.911 1.00 0.35 H new ATOM 0 HA GLU A 47 -7.816 -9.605 6.905 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -9.253 -11.747 5.284 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -7.595 -11.958 5.811 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -9.844 -11.203 7.741 1.00 0.44 H new ATOM 0 HG3 GLU A 47 -9.411 -12.868 7.409 1.00 0.44 H new ATOM 734 N THR A 48 -8.080 -9.101 3.727 1.00 0.38 N ATOM 735 CA THR A 48 -7.300 -8.732 2.512 1.00 0.42 C ATOM 736 C THR A 48 -6.573 -7.408 2.754 1.00 0.37 C ATOM 737 O THR A 48 -5.373 -7.308 2.591 1.00 0.40 O ATOM 738 CB THR A 48 -8.251 -8.582 1.322 1.00 0.47 C ATOM 739 OG1 THR A 48 -9.218 -9.622 1.358 1.00 0.51 O ATOM 740 CG2 THR A 48 -7.456 -8.666 0.018 1.00 0.59 C ATOM 0 H THR A 48 -9.087 -8.958 3.657 1.00 0.38 H new ATOM 0 HA THR A 48 -6.570 -9.513 2.298 1.00 0.42 H new ATOM 0 HB THR A 48 -8.753 -7.616 1.376 1.00 0.47 H new ATOM 0 HG1 THR A 48 -9.762 -9.535 2.168 1.00 0.51 H new ATOM 0 HG21 THR A 48 -8.134 -8.559 -0.829 1.00 0.59 H new ATOM 0 HG22 THR A 48 -6.714 -7.868 -0.008 1.00 0.59 H new ATOM 0 HG23 THR A 48 -6.953 -9.631 -0.040 1.00 0.59 H new ATOM 748 N PHE A 49 -7.290 -6.389 3.141 1.00 0.31 N ATOM 749 CA PHE A 49 -6.640 -5.072 3.393 1.00 0.29 C ATOM 750 C PHE A 49 -5.561 -5.234 4.466 1.00 0.25 C ATOM 751 O PHE A 49 -4.596 -4.497 4.506 1.00 0.20 O ATOM 752 CB PHE A 49 -7.689 -4.066 3.872 1.00 0.26 C ATOM 753 CG PHE A 49 -8.723 -3.864 2.789 1.00 0.25 C ATOM 754 CD1 PHE A 49 -8.366 -3.231 1.592 1.00 0.26 C ATOM 755 CD2 PHE A 49 -10.038 -4.308 2.981 1.00 0.24 C ATOM 756 CE1 PHE A 49 -9.323 -3.042 0.588 1.00 0.25 C ATOM 757 CE2 PHE A 49 -10.994 -4.119 1.976 1.00 0.23 C ATOM 758 CZ PHE A 49 -10.637 -3.486 0.780 1.00 0.24 C ATOM 0 H PHE A 49 -8.298 -6.412 3.294 1.00 0.31 H new ATOM 0 HA PHE A 49 -6.185 -4.709 2.471 1.00 0.29 H new ATOM 0 HB2 PHE A 49 -8.166 -4.428 4.783 1.00 0.26 H new ATOM 0 HB3 PHE A 49 -7.213 -3.117 4.117 1.00 0.26 H new ATOM 0 HD1 PHE A 49 -7.353 -2.889 1.443 1.00 0.26 H new ATOM 0 HD2 PHE A 49 -10.314 -4.796 3.904 1.00 0.24 H new ATOM 0 HE1 PHE A 49 -9.048 -2.554 -0.335 1.00 0.25 H new ATOM 0 HE2 PHE A 49 -12.007 -4.462 2.124 1.00 0.23 H new ATOM 0 HZ PHE A 49 -11.375 -3.340 0.005 1.00 0.24 H new ATOM 768 N CYS A 50 -5.717 -6.194 5.337 1.00 0.28 N ATOM 769 CA CYS A 50 -4.699 -6.401 6.405 1.00 0.26 C ATOM 770 C CYS A 50 -3.403 -6.921 5.782 1.00 0.24 C ATOM 771 O CYS A 50 -2.364 -6.299 5.875 1.00 0.23 O ATOM 772 CB CYS A 50 -5.222 -7.421 7.418 1.00 0.30 C ATOM 773 SG CYS A 50 -3.831 -8.135 8.330 1.00 0.29 S ATOM 0 H CYS A 50 -6.504 -6.843 5.355 1.00 0.28 H new ATOM 0 HA CYS A 50 -4.505 -5.454 6.909 1.00 0.26 H new ATOM 0 HB2 CYS A 50 -5.915 -6.941 8.109 1.00 0.30 H new ATOM 0 HB3 CYS A 50 -5.776 -8.207 6.905 1.00 0.30 H new ATOM 778 N ARG A 51 -3.456 -8.059 5.144 1.00 0.25 N ATOM 779 CA ARG A 51 -2.226 -8.618 4.514 1.00 0.25 C ATOM 780 C ARG A 51 -1.522 -7.523 3.711 1.00 0.20 C ATOM 781 O ARG A 51 -0.311 -7.417 3.717 1.00 0.24 O ATOM 782 CB ARG A 51 -2.610 -9.769 3.582 1.00 0.26 C ATOM 783 CG ARG A 51 -3.227 -10.905 4.399 1.00 0.25 C ATOM 784 CD ARG A 51 -3.801 -11.962 3.453 1.00 0.44 C ATOM 785 NE ARG A 51 -3.408 -13.318 3.927 1.00 0.78 N ATOM 786 CZ ARG A 51 -4.017 -14.374 3.462 1.00 0.94 C ATOM 787 NH1 ARG A 51 -4.972 -14.242 2.581 1.00 0.84 N ATOM 788 NH2 ARG A 51 -3.673 -15.563 3.877 1.00 1.73 N ATOM 0 H ARG A 51 -4.297 -8.625 5.032 1.00 0.25 H new ATOM 0 HA ARG A 51 -1.555 -8.987 5.290 1.00 0.25 H new ATOM 0 HB2 ARG A 51 -3.319 -9.421 2.831 1.00 0.26 H new ATOM 0 HB3 ARG A 51 -1.730 -10.128 3.048 1.00 0.26 H new ATOM 0 HG2 ARG A 51 -2.473 -11.352 5.046 1.00 0.25 H new ATOM 0 HG3 ARG A 51 -4.013 -10.516 5.046 1.00 0.25 H new ATOM 0 HD2 ARG A 51 -4.887 -11.879 3.414 1.00 0.44 H new ATOM 0 HD3 ARG A 51 -3.432 -11.798 2.440 1.00 0.44 H new ATOM 0 HE ARG A 51 -2.662 -13.421 4.615 1.00 0.78 H new ATOM 0 HH11 ARG A 51 -5.242 -13.313 2.256 1.00 0.84 H new ATOM 0 HH12 ARG A 51 -5.448 -15.068 2.217 1.00 0.84 H new ATOM 0 HH21 ARG A 51 -2.928 -15.667 4.565 1.00 1.73 H new ATOM 0 HH22 ARG A 51 -4.150 -16.388 3.513 1.00 1.73 H new ATOM 802 N ALA A 52 -2.270 -6.707 3.020 1.00 0.13 N ATOM 803 CA ALA A 52 -1.641 -5.620 2.218 1.00 0.08 C ATOM 804 C ALA A 52 -0.882 -4.673 3.150 1.00 0.07 C ATOM 805 O ALA A 52 0.271 -4.361 2.929 1.00 0.04 O ATOM 806 CB ALA A 52 -2.728 -4.841 1.474 1.00 0.09 C ATOM 0 H ALA A 52 -3.288 -6.746 2.976 1.00 0.13 H new ATOM 0 HA ALA A 52 -0.948 -6.054 1.498 1.00 0.08 H new ATOM 0 HB1 ALA A 52 -2.269 -4.046 0.887 1.00 0.09 H new ATOM 0 HB2 ALA A 52 -3.269 -5.515 0.810 1.00 0.09 H new ATOM 0 HB3 ALA A 52 -3.422 -4.406 2.194 1.00 0.09 H new ATOM 812 N ALA A 53 -1.520 -4.215 4.193 1.00 0.11 N ATOM 813 CA ALA A 53 -0.834 -3.290 5.138 1.00 0.13 C ATOM 814 C ALA A 53 0.425 -3.965 5.686 1.00 0.13 C ATOM 815 O ALA A 53 1.477 -3.363 5.772 1.00 0.18 O ATOM 816 CB ALA A 53 -1.776 -2.950 6.294 1.00 0.15 C ATOM 0 H ALA A 53 -2.486 -4.442 4.431 1.00 0.11 H new ATOM 0 HA ALA A 53 -0.558 -2.374 4.615 1.00 0.13 H new ATOM 0 HB1 ALA A 53 -1.274 -2.273 6.985 1.00 0.15 H new ATOM 0 HB2 ALA A 53 -2.673 -2.470 5.903 1.00 0.15 H new ATOM 0 HB3 ALA A 53 -2.053 -3.864 6.818 1.00 0.15 H new ATOM 822 N THR A 54 0.327 -5.212 6.057 1.00 0.16 N ATOM 823 CA THR A 54 1.518 -5.925 6.599 1.00 0.24 C ATOM 824 C THR A 54 2.700 -5.732 5.647 1.00 0.29 C ATOM 825 O THR A 54 3.799 -5.420 6.061 1.00 0.36 O ATOM 826 CB THR A 54 1.205 -7.418 6.728 1.00 0.29 C ATOM 827 OG1 THR A 54 -0.022 -7.583 7.426 1.00 0.29 O ATOM 828 CG2 THR A 54 2.330 -8.112 7.498 1.00 0.35 C ATOM 0 H THR A 54 -0.527 -5.768 6.008 1.00 0.16 H new ATOM 0 HA THR A 54 1.769 -5.522 7.580 1.00 0.24 H new ATOM 0 HB THR A 54 1.122 -7.860 5.735 1.00 0.29 H new ATOM 0 HG1 THR A 54 -0.226 -8.538 7.508 1.00 0.29 H new ATOM 0 HG21 THR A 54 2.106 -9.175 7.589 1.00 0.35 H new ATOM 0 HG22 THR A 54 3.271 -7.984 6.962 1.00 0.35 H new ATOM 0 HG23 THR A 54 2.416 -7.672 8.492 1.00 0.35 H new ATOM 836 N VAL A 55 2.483 -5.915 4.372 1.00 0.28 N ATOM 837 CA VAL A 55 3.594 -5.741 3.395 1.00 0.35 C ATOM 838 C VAL A 55 4.139 -4.315 3.495 1.00 0.30 C ATOM 839 O VAL A 55 5.281 -4.100 3.854 1.00 0.28 O ATOM 840 CB VAL A 55 3.069 -5.987 1.980 1.00 0.42 C ATOM 841 CG1 VAL A 55 4.240 -5.997 0.995 1.00 0.36 C ATOM 842 CG2 VAL A 55 2.351 -7.338 1.930 1.00 0.53 C ATOM 0 H VAL A 55 1.585 -6.177 3.966 1.00 0.28 H new ATOM 0 HA VAL A 55 4.390 -6.452 3.617 1.00 0.35 H new ATOM 0 HB VAL A 55 2.372 -5.194 1.709 1.00 0.42 H new ATOM 0 HG11 VAL A 55 3.866 -6.172 -0.014 1.00 0.36 H new ATOM 0 HG12 VAL A 55 4.753 -5.036 1.030 1.00 0.36 H new ATOM 0 HG13 VAL A 55 4.937 -6.790 1.266 1.00 0.36 H new ATOM 0 HG21 VAL A 55 1.977 -7.514 0.922 1.00 0.53 H new ATOM 0 HG22 VAL A 55 3.048 -8.131 2.202 1.00 0.53 H new ATOM 0 HG23 VAL A 55 1.516 -7.333 2.631 1.00 0.53 H new ATOM 852 N LEU A 56 3.332 -3.338 3.183 1.00 0.27 N ATOM 853 CA LEU A 56 3.804 -1.927 3.263 1.00 0.25 C ATOM 854 C LEU A 56 4.512 -1.705 4.601 1.00 0.18 C ATOM 855 O LEU A 56 5.430 -0.917 4.704 1.00 0.18 O ATOM 856 CB LEU A 56 2.606 -0.981 3.154 1.00 0.24 C ATOM 857 CG LEU A 56 1.813 -1.302 1.885 1.00 0.25 C ATOM 858 CD1 LEU A 56 0.605 -0.370 1.789 1.00 0.31 C ATOM 859 CD2 LEU A 56 2.707 -1.105 0.658 1.00 0.21 C ATOM 0 H LEU A 56 2.366 -3.456 2.876 1.00 0.27 H new ATOM 0 HA LEU A 56 4.498 -1.727 2.446 1.00 0.25 H new ATOM 0 HB2 LEU A 56 1.967 -1.085 4.031 1.00 0.24 H new ATOM 0 HB3 LEU A 56 2.948 0.054 3.130 1.00 0.24 H new ATOM 0 HG LEU A 56 1.473 -2.337 1.923 1.00 0.25 H new ATOM 0 HD11 LEU A 56 0.040 -0.598 0.885 1.00 0.31 H new ATOM 0 HD12 LEU A 56 -0.033 -0.511 2.661 1.00 0.31 H new ATOM 0 HD13 LEU A 56 0.946 0.665 1.752 1.00 0.31 H new ATOM 0 HD21 LEU A 56 2.141 -1.334 -0.245 1.00 0.21 H new ATOM 0 HD22 LEU A 56 3.049 -0.071 0.619 1.00 0.21 H new ATOM 0 HD23 LEU A 56 3.568 -1.770 0.725 1.00 0.21 H new ATOM 871 N ARG A 57 4.096 -2.397 5.625 1.00 0.14 N ATOM 872 CA ARG A 57 4.749 -2.227 6.953 1.00 0.09 C ATOM 873 C ARG A 57 6.216 -2.650 6.851 1.00 0.13 C ATOM 874 O ARG A 57 7.116 -1.851 7.018 1.00 0.09 O ATOM 875 CB ARG A 57 4.036 -3.099 7.989 1.00 0.12 C ATOM 876 CG ARG A 57 3.663 -2.248 9.204 1.00 0.51 C ATOM 877 CD ARG A 57 3.160 -3.155 10.328 1.00 0.40 C ATOM 878 NE ARG A 57 4.321 -3.700 11.085 1.00 0.84 N ATOM 879 CZ ARG A 57 4.139 -4.250 12.254 1.00 1.12 C ATOM 880 NH1 ARG A 57 2.938 -4.323 12.760 1.00 0.52 N ATOM 881 NH2 ARG A 57 5.157 -4.728 12.916 1.00 2.16 N ATOM 0 H ARG A 57 3.332 -3.073 5.600 1.00 0.14 H new ATOM 0 HA ARG A 57 4.690 -1.182 7.259 1.00 0.09 H new ATOM 0 HB2 ARG A 57 3.140 -3.541 7.553 1.00 0.12 H new ATOM 0 HB3 ARG A 57 4.682 -3.922 8.293 1.00 0.12 H new ATOM 0 HG2 ARG A 57 4.529 -1.679 9.542 1.00 0.51 H new ATOM 0 HG3 ARG A 57 2.893 -1.526 8.933 1.00 0.51 H new ATOM 0 HD2 ARG A 57 2.507 -2.595 10.997 1.00 0.40 H new ATOM 0 HD3 ARG A 57 2.567 -3.971 9.914 1.00 0.40 H new ATOM 0 HE ARG A 57 5.259 -3.643 10.689 1.00 0.84 H new ATOM 0 HH11 ARG A 57 2.143 -3.950 12.242 1.00 0.52 H new ATOM 0 HH12 ARG A 57 2.795 -4.753 13.674 1.00 0.52 H new ATOM 0 HH21 ARG A 57 6.095 -4.672 12.520 1.00 2.16 H new ATOM 0 HH22 ARG A 57 5.015 -5.158 13.830 1.00 2.16 H new ATOM 895 N GLN A 58 6.463 -3.901 6.574 1.00 0.24 N ATOM 896 CA GLN A 58 7.871 -4.374 6.459 1.00 0.30 C ATOM 897 C GLN A 58 8.547 -3.676 5.277 1.00 0.32 C ATOM 898 O GLN A 58 9.716 -3.876 5.012 1.00 0.37 O ATOM 899 CB GLN A 58 7.882 -5.888 6.230 1.00 0.42 C ATOM 900 CG GLN A 58 6.972 -6.233 5.050 1.00 0.44 C ATOM 901 CD GLN A 58 6.952 -7.748 4.845 1.00 0.55 C ATOM 902 OE1 GLN A 58 5.932 -8.314 4.502 1.00 1.68 O ATOM 903 NE2 GLN A 58 8.044 -8.436 5.044 1.00 0.63 N ATOM 0 H GLN A 58 5.751 -4.615 6.422 1.00 0.24 H new ATOM 0 HA GLN A 58 8.410 -4.140 7.377 1.00 0.30 H new ATOM 0 HB2 GLN A 58 8.898 -6.229 6.031 1.00 0.42 H new ATOM 0 HB3 GLN A 58 7.543 -6.405 7.128 1.00 0.42 H new ATOM 0 HG2 GLN A 58 5.962 -5.868 5.237 1.00 0.44 H new ATOM 0 HG3 GLN A 58 7.328 -5.738 4.146 1.00 0.44 H new ATOM 0 HE21 GLN A 58 8.900 -7.962 5.332 1.00 0.63 H new ATOM 0 HE22 GLN A 58 8.041 -9.447 4.912 1.00 0.63 H new ATOM 912 N PHE A 59 7.820 -2.861 4.563 1.00 0.31 N ATOM 913 CA PHE A 59 8.422 -2.154 3.397 1.00 0.40 C ATOM 914 C PHE A 59 9.120 -0.875 3.869 1.00 0.37 C ATOM 915 O PHE A 59 10.331 -0.787 3.877 1.00 0.40 O ATOM 916 CB PHE A 59 7.322 -1.793 2.396 1.00 0.45 C ATOM 917 CG PHE A 59 7.946 -1.447 1.066 1.00 0.40 C ATOM 918 CD1 PHE A 59 8.215 -2.455 0.134 1.00 0.50 C ATOM 919 CD2 PHE A 59 8.256 -0.115 0.765 1.00 0.33 C ATOM 920 CE1 PHE A 59 8.794 -2.134 -1.100 1.00 0.51 C ATOM 921 CE2 PHE A 59 8.835 0.207 -0.469 1.00 0.30 C ATOM 922 CZ PHE A 59 9.104 -0.803 -1.401 1.00 0.38 C ATOM 0 H PHE A 59 6.836 -2.654 4.736 1.00 0.31 H new ATOM 0 HA PHE A 59 9.152 -2.807 2.919 1.00 0.40 H new ATOM 0 HB2 PHE A 59 6.633 -2.629 2.280 1.00 0.45 H new ATOM 0 HB3 PHE A 59 6.740 -0.949 2.767 1.00 0.45 H new ATOM 0 HD1 PHE A 59 7.976 -3.482 0.367 1.00 0.50 H new ATOM 0 HD2 PHE A 59 8.049 0.664 1.484 1.00 0.33 H new ATOM 0 HE1 PHE A 59 9.001 -2.913 -1.819 1.00 0.51 H new ATOM 0 HE2 PHE A 59 9.074 1.234 -0.702 1.00 0.30 H new ATOM 0 HZ PHE A 59 9.551 -0.555 -2.352 1.00 0.38 H new ATOM 932 N TYR A 60 8.367 0.120 4.257 1.00 0.35 N ATOM 933 CA TYR A 60 8.994 1.391 4.718 1.00 0.37 C ATOM 934 C TYR A 60 9.616 1.191 6.101 1.00 0.26 C ATOM 935 O TYR A 60 10.246 2.078 6.640 1.00 0.31 O ATOM 936 CB TYR A 60 7.933 2.494 4.788 1.00 0.44 C ATOM 937 CG TYR A 60 6.890 2.137 5.821 1.00 0.36 C ATOM 938 CD1 TYR A 60 7.147 2.348 7.183 1.00 0.36 C ATOM 939 CD2 TYR A 60 5.664 1.598 5.418 1.00 0.32 C ATOM 940 CE1 TYR A 60 6.178 2.018 8.137 1.00 0.37 C ATOM 941 CE2 TYR A 60 4.695 1.268 6.373 1.00 0.27 C ATOM 942 CZ TYR A 60 4.952 1.478 7.732 1.00 0.32 C ATOM 943 OH TYR A 60 3.996 1.153 8.673 1.00 0.37 O ATOM 0 H TYR A 60 7.347 0.107 4.274 1.00 0.35 H new ATOM 0 HA TYR A 60 9.772 1.681 4.012 1.00 0.37 H new ATOM 0 HB2 TYR A 60 8.400 3.445 5.044 1.00 0.44 H new ATOM 0 HB3 TYR A 60 7.463 2.622 3.813 1.00 0.44 H new ATOM 0 HD1 TYR A 60 8.093 2.765 7.496 1.00 0.36 H new ATOM 0 HD2 TYR A 60 5.465 1.436 4.369 1.00 0.32 H new ATOM 0 HE1 TYR A 60 6.376 2.180 9.186 1.00 0.37 H new ATOM 0 HE2 TYR A 60 3.749 0.851 6.061 1.00 0.27 H new ATOM 0 HH TYR A 60 3.457 1.945 8.879 1.00 0.37 H new ATOM 953 N SER A 61 9.444 0.036 6.684 1.00 0.13 N ATOM 954 CA SER A 61 10.028 -0.208 8.033 1.00 0.03 C ATOM 955 C SER A 61 11.418 -0.832 7.885 1.00 0.09 C ATOM 956 O SER A 61 12.340 -0.492 8.598 1.00 0.12 O ATOM 957 CB SER A 61 9.124 -1.159 8.817 1.00 0.07 C ATOM 958 OG SER A 61 7.820 -0.602 8.904 1.00 0.07 O ATOM 0 H SER A 61 8.926 -0.747 6.286 1.00 0.13 H new ATOM 0 HA SER A 61 10.110 0.738 8.567 1.00 0.03 H new ATOM 0 HB2 SER A 61 9.085 -2.131 8.325 1.00 0.07 H new ATOM 0 HB3 SER A 61 9.529 -1.324 9.815 1.00 0.07 H new ATOM 0 HG SER A 61 7.180 -1.198 8.462 1.00 0.07 H new ATOM 964 N HIS A 62 11.575 -1.742 6.963 1.00 0.19 N ATOM 965 CA HIS A 62 12.906 -2.386 6.772 1.00 0.28 C ATOM 966 C HIS A 62 13.722 -1.588 5.753 1.00 0.28 C ATOM 967 O HIS A 62 14.798 -1.105 6.046 1.00 0.49 O ATOM 968 CB HIS A 62 12.711 -3.815 6.261 1.00 0.41 C ATOM 969 CG HIS A 62 12.061 -4.647 7.331 1.00 0.61 C ATOM 970 ND1 HIS A 62 10.769 -5.134 7.207 1.00 1.84 N ATOM 971 CD2 HIS A 62 12.511 -5.088 8.551 1.00 0.26 C ATOM 972 CE1 HIS A 62 10.489 -5.832 8.324 1.00 1.76 C ATOM 973 NE2 HIS A 62 11.517 -5.836 9.175 1.00 0.58 N ATOM 0 H HIS A 62 10.841 -2.067 6.334 1.00 0.19 H new ATOM 0 HA HIS A 62 13.437 -2.407 7.723 1.00 0.28 H new ATOM 0 HB2 HIS A 62 12.092 -3.810 5.364 1.00 0.41 H new ATOM 0 HB3 HIS A 62 13.672 -4.247 5.983 1.00 0.41 H new ATOM 0 HD2 HIS A 62 13.488 -4.885 8.964 1.00 0.26 H new ATOM 0 HE1 HIS A 62 9.548 -6.328 8.509 1.00 1.76 H new ATOM 0 HE2 HIS A 62 11.564 -6.290 10.087 1.00 0.58 H new ATOM 981 N HIS A 63 13.220 -1.449 4.557 1.00 0.45 N ATOM 982 CA HIS A 63 13.967 -0.685 3.517 1.00 0.40 C ATOM 983 C HIS A 63 14.412 0.664 4.086 1.00 0.35 C ATOM 984 O HIS A 63 15.563 1.041 3.982 1.00 0.34 O ATOM 985 CB HIS A 63 13.062 -0.457 2.305 1.00 0.37 C ATOM 986 CG HIS A 63 12.644 -1.784 1.735 1.00 0.41 C ATOM 987 ND1 HIS A 63 13.517 -2.857 1.645 1.00 0.43 N ATOM 988 CD2 HIS A 63 11.451 -2.227 1.221 1.00 0.56 C ATOM 989 CE1 HIS A 63 12.841 -3.884 1.098 1.00 0.51 C ATOM 990 NE2 HIS A 63 11.578 -3.553 0.820 1.00 0.57 N ATOM 0 H HIS A 63 12.324 -1.832 4.254 1.00 0.45 H new ATOM 0 HA HIS A 63 14.846 -1.253 3.213 1.00 0.40 H new ATOM 0 HB2 HIS A 63 12.183 0.118 2.597 1.00 0.37 H new ATOM 0 HB3 HIS A 63 13.588 0.126 1.549 1.00 0.37 H new ATOM 0 HD2 HIS A 63 10.551 -1.636 1.140 1.00 0.56 H new ATOM 0 HE1 HIS A 63 13.268 -4.857 0.907 1.00 0.51 H new ATOM 0 HE2 HIS A 63 10.860 -4.145 0.403 1.00 0.57 H new ATOM 998 N GLU A 64 13.512 1.396 4.682 1.00 0.32 N ATOM 999 CA GLU A 64 13.887 2.721 5.253 1.00 0.29 C ATOM 1000 C GLU A 64 15.173 2.578 6.070 1.00 0.34 C ATOM 1001 O GLU A 64 15.981 3.483 6.137 1.00 0.38 O ATOM 1002 CB GLU A 64 12.762 3.227 6.157 1.00 0.28 C ATOM 1003 CG GLU A 64 13.194 4.532 6.828 1.00 0.27 C ATOM 1004 CD GLU A 64 11.956 5.346 7.207 1.00 1.08 C ATOM 1005 OE1 GLU A 64 10.984 4.746 7.635 1.00 1.84 O ATOM 1006 OE2 GLU A 64 12.000 6.557 7.063 1.00 1.50 O ATOM 0 H GLU A 64 12.533 1.134 4.799 1.00 0.32 H new ATOM 0 HA GLU A 64 14.047 3.432 4.443 1.00 0.29 H new ATOM 0 HB2 GLU A 64 11.856 3.389 5.572 1.00 0.28 H new ATOM 0 HB3 GLU A 64 12.524 2.479 6.913 1.00 0.28 H new ATOM 0 HG2 GLU A 64 13.787 4.317 7.717 1.00 0.27 H new ATOM 0 HG3 GLU A 64 13.828 5.107 6.153 1.00 0.27 H new ATOM 1013 N LYS A 65 15.369 1.448 6.693 1.00 0.35 N ATOM 1014 CA LYS A 65 16.602 1.249 7.504 1.00 0.40 C ATOM 1015 C LYS A 65 17.754 0.839 6.584 1.00 0.37 C ATOM 1016 O LYS A 65 18.911 1.047 6.891 1.00 0.40 O ATOM 1017 CB LYS A 65 16.360 0.149 8.539 1.00 0.50 C ATOM 1018 CG LYS A 65 15.211 0.562 9.462 1.00 0.67 C ATOM 1019 CD LYS A 65 14.769 -0.642 10.296 1.00 1.39 C ATOM 1020 CE LYS A 65 13.814 -0.177 11.397 1.00 1.23 C ATOM 1021 NZ LYS A 65 12.962 0.931 10.879 1.00 1.76 N ATOM 0 H LYS A 65 14.728 0.655 6.675 1.00 0.35 H new ATOM 0 HA LYS A 65 16.856 2.178 8.015 1.00 0.40 H new ATOM 0 HB2 LYS A 65 16.120 -0.789 8.039 1.00 0.50 H new ATOM 0 HB3 LYS A 65 17.265 -0.023 9.122 1.00 0.50 H new ATOM 0 HG2 LYS A 65 15.530 1.374 10.116 1.00 0.67 H new ATOM 0 HG3 LYS A 65 14.374 0.937 8.873 1.00 0.67 H new ATOM 0 HD2 LYS A 65 14.277 -1.378 9.660 1.00 1.39 H new ATOM 0 HD3 LYS A 65 15.638 -1.132 10.736 1.00 1.39 H new ATOM 0 HE2 LYS A 65 13.189 -1.007 11.726 1.00 1.23 H new ATOM 0 HE3 LYS A 65 14.380 0.160 12.266 1.00 1.23 H new ATOM 0 HZ1 LYS A 65 12.165 1.088 11.528 1.00 1.76 H new ATOM 0 HZ2 LYS A 65 13.528 1.801 10.809 1.00 1.76 H new ATOM 0 HZ3 LYS A 65 12.598 0.678 9.938 1.00 1.76 H new ATOM 1035 N ASP A 66 17.447 0.258 5.457 1.00 0.38 N ATOM 1036 CA ASP A 66 18.524 -0.164 4.518 1.00 0.42 C ATOM 1037 C ASP A 66 18.941 1.029 3.653 1.00 0.40 C ATOM 1038 O ASP A 66 18.139 1.882 3.329 1.00 0.36 O ATOM 1039 CB ASP A 66 18.007 -1.288 3.618 1.00 0.46 C ATOM 1040 CG ASP A 66 19.186 -2.116 3.104 1.00 0.96 C ATOM 1041 OD1 ASP A 66 20.250 -1.547 2.928 1.00 1.75 O ATOM 1042 OD2 ASP A 66 19.004 -3.304 2.896 1.00 1.37 O ATOM 0 H ASP A 66 16.497 0.057 5.146 1.00 0.38 H new ATOM 0 HA ASP A 66 19.382 -0.521 5.087 1.00 0.42 H new ATOM 0 HB2 ASP A 66 17.317 -1.924 4.173 1.00 0.46 H new ATOM 0 HB3 ASP A 66 17.450 -0.869 2.780 1.00 0.46 H new ATOM 1047 N THR A 67 20.190 1.096 3.279 1.00 0.46 N ATOM 1048 CA THR A 67 20.653 2.234 2.437 1.00 0.47 C ATOM 1049 C THR A 67 20.553 1.851 0.959 1.00 0.48 C ATOM 1050 O THR A 67 21.479 2.042 0.194 1.00 0.44 O ATOM 1051 CB THR A 67 22.108 2.563 2.781 1.00 0.49 C ATOM 1052 OG1 THR A 67 22.964 1.599 2.182 1.00 0.58 O ATOM 1053 CG2 THR A 67 22.294 2.540 4.299 1.00 0.34 C ATOM 0 H THR A 67 20.908 0.413 3.520 1.00 0.46 H new ATOM 0 HA THR A 67 20.027 3.105 2.629 1.00 0.47 H new ATOM 0 HB THR A 67 22.356 3.555 2.403 1.00 0.49 H new ATOM 0 HG1 THR A 67 22.961 1.719 1.209 1.00 0.58 H new ATOM 0 HG21 THR A 67 23.330 2.774 4.542 1.00 0.34 H new ATOM 0 HG22 THR A 67 21.638 3.280 4.757 1.00 0.34 H new ATOM 0 HG23 THR A 67 22.047 1.549 4.681 1.00 0.34 H new ATOM 1061 N ARG A 68 19.437 1.311 0.551 1.00 0.54 N ATOM 1062 CA ARG A 68 19.274 0.914 -0.877 1.00 0.57 C ATOM 1063 C ARG A 68 18.588 2.044 -1.647 1.00 0.57 C ATOM 1064 O ARG A 68 19.089 2.521 -2.646 1.00 0.57 O ATOM 1065 CB ARG A 68 18.420 -0.351 -0.959 1.00 0.63 C ATOM 1066 CG ARG A 68 19.074 -1.465 -0.139 1.00 0.49 C ATOM 1067 CD ARG A 68 19.558 -2.571 -1.077 1.00 0.33 C ATOM 1068 NE ARG A 68 20.452 -1.986 -2.116 1.00 1.69 N ATOM 1069 CZ ARG A 68 21.215 -2.765 -2.834 1.00 1.85 C ATOM 1070 NH1 ARG A 68 21.194 -4.056 -2.644 1.00 1.07 N ATOM 1071 NH2 ARG A 68 21.998 -2.252 -3.743 1.00 3.12 N ATOM 0 H ARG A 68 18.629 1.127 1.146 1.00 0.54 H new ATOM 0 HA ARG A 68 20.254 0.721 -1.314 1.00 0.57 H new ATOM 0 HB2 ARG A 68 17.417 -0.150 -0.583 1.00 0.63 H new ATOM 0 HB3 ARG A 68 18.314 -0.664 -1.998 1.00 0.63 H new ATOM 0 HG2 ARG A 68 19.912 -1.066 0.433 1.00 0.49 H new ATOM 0 HG3 ARG A 68 18.361 -1.869 0.580 1.00 0.49 H new ATOM 0 HD2 ARG A 68 20.092 -3.335 -0.511 1.00 0.33 H new ATOM 0 HD3 ARG A 68 18.706 -3.061 -1.549 1.00 0.33 H new ATOM 0 HE ARG A 68 20.468 -0.977 -2.266 1.00 1.69 H new ATOM 0 HH11 ARG A 68 20.581 -4.457 -1.934 1.00 1.07 H new ATOM 0 HH12 ARG A 68 21.790 -4.664 -3.205 1.00 1.07 H new ATOM 0 HH21 ARG A 68 22.014 -1.243 -3.892 1.00 3.12 H new ATOM 0 HH22 ARG A 68 22.594 -2.860 -4.304 1.00 3.12 H new ATOM 1085 N CYS A 69 17.442 2.474 -1.192 1.00 0.57 N ATOM 1086 CA CYS A 69 16.722 3.571 -1.900 1.00 0.58 C ATOM 1087 C CYS A 69 17.138 4.920 -1.310 1.00 0.50 C ATOM 1088 O CYS A 69 16.482 5.924 -1.508 1.00 0.45 O ATOM 1089 CB CYS A 69 15.214 3.380 -1.728 1.00 0.66 C ATOM 1090 SG CYS A 69 14.840 1.612 -1.621 1.00 0.40 S ATOM 0 H CYS A 69 16.974 2.113 -0.361 1.00 0.57 H new ATOM 0 HA CYS A 69 16.974 3.548 -2.960 1.00 0.58 H new ATOM 0 HB2 CYS A 69 14.872 3.890 -0.828 1.00 0.66 H new ATOM 0 HB3 CYS A 69 14.682 3.825 -2.569 1.00 0.66 H new ATOM 1095 N LEU A 70 18.225 4.954 -0.587 1.00 0.49 N ATOM 1096 CA LEU A 70 18.682 6.240 0.013 1.00 0.41 C ATOM 1097 C LEU A 70 19.674 6.918 -0.934 1.00 0.42 C ATOM 1098 O LEU A 70 19.721 8.128 -1.038 1.00 0.51 O ATOM 1099 CB LEU A 70 19.367 5.962 1.355 1.00 0.34 C ATOM 1100 CG LEU A 70 18.317 5.883 2.470 1.00 0.46 C ATOM 1101 CD1 LEU A 70 18.974 5.367 3.751 1.00 0.38 C ATOM 1102 CD2 LEU A 70 17.716 7.271 2.737 1.00 0.52 C ATOM 0 H LEU A 70 18.816 4.147 -0.386 1.00 0.49 H new ATOM 0 HA LEU A 70 17.824 6.893 0.171 1.00 0.41 H new ATOM 0 HB2 LEU A 70 19.925 5.027 1.302 1.00 0.34 H new ATOM 0 HB3 LEU A 70 20.087 6.750 1.576 1.00 0.34 H new ATOM 0 HG LEU A 70 17.523 5.205 2.158 1.00 0.46 H new ATOM 0 HD11 LEU A 70 18.229 5.310 4.545 1.00 0.38 H new ATOM 0 HD12 LEU A 70 19.390 4.376 3.573 1.00 0.38 H new ATOM 0 HD13 LEU A 70 19.772 6.047 4.050 1.00 0.38 H new ATOM 0 HD21 LEU A 70 16.972 7.199 3.531 1.00 0.52 H new ATOM 0 HD22 LEU A 70 18.506 7.957 3.041 1.00 0.52 H new ATOM 0 HD23 LEU A 70 17.242 7.643 1.829 1.00 0.52 H new ATOM 1114 N GLY A 71 20.468 6.148 -1.627 1.00 0.61 N ATOM 1115 CA GLY A 71 21.456 6.749 -2.567 1.00 0.60 C ATOM 1116 C GLY A 71 22.622 7.340 -1.773 1.00 0.33 C ATOM 1117 O GLY A 71 23.239 6.672 -0.967 1.00 0.80 O ATOM 0 H GLY A 71 20.475 5.129 -1.583 1.00 0.61 H new ATOM 0 HA2 GLY A 71 21.821 5.992 -3.260 1.00 0.60 H new ATOM 0 HA3 GLY A 71 20.979 7.525 -3.165 1.00 0.60 H new ATOM 1121 N ALA A 72 22.931 8.588 -1.996 1.00 0.45 N ATOM 1122 CA ALA A 72 24.057 9.221 -1.254 1.00 0.27 C ATOM 1123 C ALA A 72 23.991 10.740 -1.424 1.00 0.55 C ATOM 1124 O ALA A 72 24.323 11.490 -0.528 1.00 0.77 O ATOM 1125 CB ALA A 72 25.386 8.704 -1.807 1.00 0.22 C ATOM 0 H ALA A 72 22.452 9.196 -2.660 1.00 0.45 H new ATOM 0 HA ALA A 72 23.981 8.970 -0.196 1.00 0.27 H new ATOM 0 HB1 ALA A 72 26.210 9.167 -1.265 1.00 0.22 H new ATOM 0 HB2 ALA A 72 25.434 7.622 -1.686 1.00 0.22 H new ATOM 0 HB3 ALA A 72 25.462 8.955 -2.865 1.00 0.22 H new ATOM 1131 N THR A 73 23.562 11.199 -2.568 1.00 0.71 N ATOM 1132 CA THR A 73 23.473 12.669 -2.794 1.00 1.03 C ATOM 1133 C THR A 73 22.521 13.287 -1.769 1.00 1.02 C ATOM 1134 O THR A 73 21.966 12.603 -0.932 1.00 0.99 O ATOM 1135 CB THR A 73 22.946 12.936 -4.206 1.00 1.28 C ATOM 1136 OG1 THR A 73 23.169 11.791 -5.017 1.00 1.37 O ATOM 1137 CG2 THR A 73 23.676 14.139 -4.807 1.00 2.29 C ATOM 0 H THR A 73 23.270 10.620 -3.355 1.00 0.71 H new ATOM 0 HA THR A 73 24.462 13.114 -2.684 1.00 1.03 H new ATOM 0 HB THR A 73 21.878 13.148 -4.161 1.00 1.28 H new ATOM 0 HG1 THR A 73 22.831 11.960 -5.921 1.00 1.37 H new ATOM 0 HG21 THR A 73 23.300 14.328 -5.812 1.00 2.29 H new ATOM 0 HG22 THR A 73 23.504 15.017 -4.184 1.00 2.29 H new ATOM 0 HG23 THR A 73 24.745 13.930 -4.853 1.00 2.29 H new ATOM 1145 N ALA A 74 22.326 14.576 -1.827 1.00 1.06 N ATOM 1146 CA ALA A 74 21.409 15.235 -0.855 1.00 1.07 C ATOM 1147 C ALA A 74 19.988 15.245 -1.422 1.00 1.07 C ATOM 1148 O ALA A 74 19.018 15.203 -0.691 1.00 1.07 O ATOM 1149 CB ALA A 74 21.872 16.673 -0.612 1.00 1.16 C ATOM 0 H ALA A 74 22.762 15.201 -2.505 1.00 1.06 H new ATOM 0 HA ALA A 74 21.421 14.686 0.086 1.00 1.07 H new ATOM 0 HB1 ALA A 74 21.202 17.156 0.099 1.00 1.16 H new ATOM 0 HB2 ALA A 74 22.885 16.666 -0.209 1.00 1.16 H new ATOM 0 HB3 ALA A 74 21.860 17.223 -1.553 1.00 1.16 H new ATOM 1155 N GLN A 75 19.857 15.302 -2.719 1.00 1.09 N ATOM 1156 CA GLN A 75 18.498 15.314 -3.331 1.00 1.09 C ATOM 1157 C GLN A 75 17.870 13.924 -3.209 1.00 0.96 C ATOM 1158 O GLN A 75 16.674 13.785 -3.052 1.00 0.88 O ATOM 1159 CB GLN A 75 18.609 15.696 -4.808 1.00 1.18 C ATOM 1160 CG GLN A 75 19.111 14.495 -5.611 1.00 0.97 C ATOM 1161 CD GLN A 75 19.673 14.972 -6.951 1.00 0.82 C ATOM 1162 OE1 GLN A 75 19.316 16.030 -7.430 1.00 1.80 O ATOM 1163 NE2 GLN A 75 20.545 14.233 -7.580 1.00 0.80 N ATOM 0 H GLN A 75 20.632 15.341 -3.381 1.00 1.09 H new ATOM 0 HA GLN A 75 17.872 16.041 -2.813 1.00 1.09 H new ATOM 0 HB2 GLN A 75 17.638 16.018 -5.185 1.00 1.18 H new ATOM 0 HB3 GLN A 75 19.292 16.537 -4.926 1.00 1.18 H new ATOM 0 HG2 GLN A 75 19.881 13.966 -5.050 1.00 0.97 H new ATOM 0 HG3 GLN A 75 18.297 13.790 -5.777 1.00 0.97 H new ATOM 0 HE21 GLN A 75 20.845 13.345 -7.178 1.00 0.80 H new ATOM 0 HE22 GLN A 75 20.927 14.544 -8.473 1.00 0.80 H new ATOM 1172 N GLN A 76 18.668 12.894 -3.280 1.00 0.95 N ATOM 1173 CA GLN A 76 18.116 11.515 -3.169 1.00 0.86 C ATOM 1174 C GLN A 76 17.679 11.255 -1.726 1.00 0.72 C ATOM 1175 O GLN A 76 16.774 10.486 -1.471 1.00 0.59 O ATOM 1176 CB GLN A 76 19.190 10.501 -3.568 1.00 1.01 C ATOM 1177 CG GLN A 76 18.545 9.351 -4.344 1.00 0.82 C ATOM 1178 CD GLN A 76 17.433 8.726 -3.500 1.00 1.92 C ATOM 1179 OE1 GLN A 76 17.665 8.304 -2.385 1.00 3.10 O ATOM 1180 NE2 GLN A 76 16.225 8.648 -3.988 1.00 2.47 N ATOM 0 H GLN A 76 19.678 12.948 -3.410 1.00 0.95 H new ATOM 0 HA GLN A 76 17.257 11.413 -3.832 1.00 0.86 H new ATOM 0 HB2 GLN A 76 19.952 10.984 -4.180 1.00 1.01 H new ATOM 0 HB3 GLN A 76 19.691 10.118 -2.679 1.00 1.01 H new ATOM 0 HG2 GLN A 76 18.138 9.717 -5.287 1.00 0.82 H new ATOM 0 HG3 GLN A 76 19.295 8.599 -4.591 1.00 0.82 H new ATOM 0 HE21 GLN A 76 16.029 9.002 -4.924 1.00 2.47 H new ATOM 0 HE22 GLN A 76 15.477 8.233 -3.433 1.00 2.47 H new ATOM 1189 N PHE A 77 18.315 11.890 -0.781 1.00 0.77 N ATOM 1190 CA PHE A 77 17.937 11.679 0.645 1.00 0.69 C ATOM 1191 C PHE A 77 16.539 12.251 0.890 1.00 0.61 C ATOM 1192 O PHE A 77 15.663 11.578 1.395 1.00 0.43 O ATOM 1193 CB PHE A 77 18.945 12.388 1.551 1.00 0.84 C ATOM 1194 CG PHE A 77 18.618 12.094 2.995 1.00 0.83 C ATOM 1195 CD1 PHE A 77 18.876 10.825 3.526 1.00 0.76 C ATOM 1196 CD2 PHE A 77 18.057 13.091 3.804 1.00 0.94 C ATOM 1197 CE1 PHE A 77 18.574 10.552 4.867 1.00 0.84 C ATOM 1198 CE2 PHE A 77 17.755 12.817 5.143 1.00 0.97 C ATOM 1199 CZ PHE A 77 18.013 11.548 5.674 1.00 0.93 C ATOM 0 H PHE A 77 19.081 12.546 -0.934 1.00 0.77 H new ATOM 0 HA PHE A 77 17.938 10.612 0.868 1.00 0.69 H new ATOM 0 HB2 PHE A 77 19.956 12.052 1.320 1.00 0.84 H new ATOM 0 HB3 PHE A 77 18.917 13.463 1.372 1.00 0.84 H new ATOM 0 HD1 PHE A 77 19.308 10.056 2.902 1.00 0.76 H new ATOM 0 HD2 PHE A 77 17.858 14.070 3.395 1.00 0.94 H new ATOM 0 HE1 PHE A 77 18.774 9.573 5.277 1.00 0.84 H new ATOM 0 HE2 PHE A 77 17.323 13.585 5.767 1.00 0.97 H new ATOM 0 HZ PHE A 77 17.779 11.337 6.707 1.00 0.93 H new ATOM 1209 N HIS A 78 16.323 13.488 0.536 1.00 0.75 N ATOM 1210 CA HIS A 78 14.982 14.100 0.749 1.00 0.68 C ATOM 1211 C HIS A 78 13.955 13.401 -0.144 1.00 0.60 C ATOM 1212 O HIS A 78 12.917 12.964 0.311 1.00 0.51 O ATOM 1213 CB HIS A 78 15.037 15.588 0.394 1.00 0.76 C ATOM 1214 CG HIS A 78 13.976 16.327 1.161 1.00 0.94 C ATOM 1215 ND1 HIS A 78 14.275 17.384 2.005 1.00 1.88 N ATOM 1216 CD2 HIS A 78 12.613 16.173 1.221 1.00 0.53 C ATOM 1217 CE1 HIS A 78 13.117 17.822 2.533 1.00 1.78 C ATOM 1218 NE2 HIS A 78 12.072 17.117 2.088 1.00 0.89 N ATOM 0 H HIS A 78 17.017 14.101 0.109 1.00 0.75 H new ATOM 0 HA HIS A 78 14.693 13.986 1.794 1.00 0.68 H new ATOM 0 HB2 HIS A 78 16.021 15.993 0.631 1.00 0.76 H new ATOM 0 HB3 HIS A 78 14.887 15.723 -0.677 1.00 0.76 H new ATOM 0 HD2 HIS A 78 12.047 15.431 0.677 1.00 0.53 H new ATOM 0 HE1 HIS A 78 13.041 18.643 3.231 1.00 1.78 H new ATOM 0 HE2 HIS A 78 11.090 17.244 2.332 1.00 0.89 H new ATOM 1226 N ARG A 79 14.238 13.292 -1.414 1.00 0.66 N ATOM 1227 CA ARG A 79 13.278 12.620 -2.334 1.00 0.63 C ATOM 1228 C ARG A 79 12.871 11.267 -1.748 1.00 0.54 C ATOM 1229 O ARG A 79 11.721 10.877 -1.802 1.00 0.68 O ATOM 1230 CB ARG A 79 13.943 12.405 -3.696 1.00 0.74 C ATOM 1231 CG ARG A 79 12.867 12.197 -4.763 1.00 0.57 C ATOM 1232 CD ARG A 79 13.532 11.942 -6.117 1.00 0.77 C ATOM 1233 NE ARG A 79 14.041 13.229 -6.670 1.00 1.57 N ATOM 1234 CZ ARG A 79 14.895 13.222 -7.657 1.00 2.07 C ATOM 1235 NH1 ARG A 79 15.303 12.089 -8.160 1.00 1.95 N ATOM 1236 NH2 ARG A 79 15.340 14.349 -8.142 1.00 2.76 N ATOM 0 H ARG A 79 15.091 13.639 -1.853 1.00 0.66 H new ATOM 0 HA ARG A 79 12.393 13.245 -2.455 1.00 0.63 H new ATOM 0 HB2 ARG A 79 14.561 13.266 -3.951 1.00 0.74 H new ATOM 0 HB3 ARG A 79 14.604 11.539 -3.657 1.00 0.74 H new ATOM 0 HG2 ARG A 79 12.231 11.353 -4.494 1.00 0.57 H new ATOM 0 HG3 ARG A 79 12.224 13.075 -4.822 1.00 0.57 H new ATOM 0 HD2 ARG A 79 14.352 11.233 -6.004 1.00 0.77 H new ATOM 0 HD3 ARG A 79 12.817 11.495 -6.807 1.00 0.77 H new ATOM 0 HE ARG A 79 13.722 14.115 -6.277 1.00 1.57 H new ATOM 0 HH11 ARG A 79 14.954 11.208 -7.782 1.00 1.95 H new ATOM 0 HH12 ARG A 79 15.970 12.084 -8.931 1.00 1.95 H new ATOM 0 HH21 ARG A 79 15.020 15.235 -7.750 1.00 2.76 H new ATOM 0 HH22 ARG A 79 16.007 14.344 -8.913 1.00 2.76 H new ATOM 1250 N HIS A 80 13.804 10.549 -1.185 1.00 0.34 N ATOM 1251 CA HIS A 80 13.468 9.223 -0.594 1.00 0.24 C ATOM 1252 C HIS A 80 12.504 9.415 0.577 1.00 0.13 C ATOM 1253 O HIS A 80 11.522 8.713 0.707 1.00 0.11 O ATOM 1254 CB HIS A 80 14.749 8.550 -0.096 1.00 0.24 C ATOM 1255 CG HIS A 80 14.393 7.386 0.787 1.00 0.16 C ATOM 1256 ND1 HIS A 80 14.324 6.088 0.306 1.00 0.29 N ATOM 1257 CD2 HIS A 80 14.083 7.307 2.122 1.00 0.35 C ATOM 1258 CE1 HIS A 80 13.985 5.291 1.336 1.00 0.12 C ATOM 1259 NE2 HIS A 80 13.826 5.984 2.467 1.00 0.28 N ATOM 0 H HIS A 80 14.784 10.823 -1.109 1.00 0.34 H new ATOM 0 HA HIS A 80 12.997 8.596 -1.351 1.00 0.24 H new ATOM 0 HB2 HIS A 80 15.346 8.209 -0.942 1.00 0.24 H new ATOM 0 HB3 HIS A 80 15.358 9.266 0.456 1.00 0.24 H new ATOM 0 HD1 HIS A 80 14.498 5.791 -0.654 1.00 0.29 H new ATOM 0 HD2 HIS A 80 14.044 8.145 2.802 1.00 0.35 H new ATOM 0 HE1 HIS A 80 13.857 4.221 1.258 1.00 0.12 H new ATOM 1267 N LYS A 81 12.775 10.364 1.432 1.00 0.17 N ATOM 1268 CA LYS A 81 11.873 10.600 2.593 1.00 0.22 C ATOM 1269 C LYS A 81 10.444 10.820 2.093 1.00 0.24 C ATOM 1270 O LYS A 81 9.494 10.310 2.654 1.00 0.30 O ATOM 1271 CB LYS A 81 12.342 11.838 3.361 1.00 0.30 C ATOM 1272 CG LYS A 81 13.526 11.465 4.256 1.00 0.52 C ATOM 1273 CD LYS A 81 14.009 12.707 5.008 1.00 1.18 C ATOM 1274 CE LYS A 81 14.684 12.282 6.314 1.00 1.04 C ATOM 1275 NZ LYS A 81 13.648 11.825 7.282 1.00 1.48 N ATOM 0 H LYS A 81 13.582 10.985 1.376 1.00 0.17 H new ATOM 0 HA LYS A 81 11.897 9.733 3.253 1.00 0.22 H new ATOM 0 HB2 LYS A 81 12.633 12.623 2.663 1.00 0.30 H new ATOM 0 HB3 LYS A 81 11.526 12.235 3.965 1.00 0.30 H new ATOM 0 HG2 LYS A 81 13.231 10.690 4.964 1.00 0.52 H new ATOM 0 HG3 LYS A 81 14.336 11.054 3.653 1.00 0.52 H new ATOM 0 HD2 LYS A 81 14.709 13.270 4.391 1.00 1.18 H new ATOM 0 HD3 LYS A 81 13.168 13.368 5.219 1.00 1.18 H new ATOM 0 HE2 LYS A 81 15.398 11.480 6.123 1.00 1.04 H new ATOM 0 HE3 LYS A 81 15.246 13.116 6.734 1.00 1.04 H new ATOM 0 HZ1 LYS A 81 14.005 11.940 8.252 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 12.785 12.393 7.161 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 13.430 10.823 7.110 1.00 1.48 H new ATOM 1289 N GLN A 82 10.283 11.577 1.041 1.00 0.25 N ATOM 1290 CA GLN A 82 8.915 11.827 0.507 1.00 0.36 C ATOM 1291 C GLN A 82 8.199 10.492 0.295 1.00 0.29 C ATOM 1292 O GLN A 82 7.037 10.341 0.619 1.00 0.36 O ATOM 1293 CB GLN A 82 9.018 12.569 -0.828 1.00 0.44 C ATOM 1294 CG GLN A 82 7.628 13.042 -1.258 1.00 0.92 C ATOM 1295 CD GLN A 82 7.535 14.561 -1.107 1.00 0.36 C ATOM 1296 OE1 GLN A 82 6.815 15.057 -0.263 1.00 1.86 O ATOM 1297 NE2 GLN A 82 8.237 15.328 -1.896 1.00 0.67 N ATOM 0 H GLN A 82 11.039 12.032 0.530 1.00 0.25 H new ATOM 0 HA GLN A 82 8.352 12.432 1.217 1.00 0.36 H new ATOM 0 HB2 GLN A 82 9.690 13.422 -0.731 1.00 0.44 H new ATOM 0 HB3 GLN A 82 9.442 11.914 -1.589 1.00 0.44 H new ATOM 0 HG2 GLN A 82 7.440 12.757 -2.293 1.00 0.92 H new ATOM 0 HG3 GLN A 82 6.864 12.558 -0.650 1.00 0.92 H new ATOM 0 HE21 GLN A 82 8.842 14.913 -2.605 1.00 0.67 H new ATOM 0 HE22 GLN A 82 8.181 16.342 -1.804 1.00 0.67 H new ATOM 1306 N LEU A 83 8.883 9.522 -0.246 1.00 0.19 N ATOM 1307 CA LEU A 83 8.242 8.196 -0.479 1.00 0.15 C ATOM 1308 C LEU A 83 7.821 7.596 0.864 1.00 0.08 C ATOM 1309 O LEU A 83 6.662 7.312 1.094 1.00 0.06 O ATOM 1310 CB LEU A 83 9.243 7.263 -1.167 1.00 0.15 C ATOM 1311 CG LEU A 83 8.490 6.194 -1.961 1.00 0.19 C ATOM 1312 CD1 LEU A 83 9.493 5.275 -2.660 1.00 0.23 C ATOM 1313 CD2 LEU A 83 7.621 5.368 -1.011 1.00 0.15 C ATOM 0 H LEU A 83 9.858 9.590 -0.537 1.00 0.19 H new ATOM 0 HA LEU A 83 7.364 8.318 -1.114 1.00 0.15 H new ATOM 0 HB2 LEU A 83 9.890 7.835 -1.832 1.00 0.15 H new ATOM 0 HB3 LEU A 83 9.886 6.792 -0.424 1.00 0.15 H new ATOM 0 HG LEU A 83 7.857 6.676 -2.706 1.00 0.19 H new ATOM 0 HD11 LEU A 83 8.956 4.514 -3.226 1.00 0.23 H new ATOM 0 HD12 LEU A 83 10.112 5.862 -3.339 1.00 0.23 H new ATOM 0 HD13 LEU A 83 10.127 4.794 -1.915 1.00 0.23 H new ATOM 0 HD21 LEU A 83 7.085 4.607 -1.578 1.00 0.15 H new ATOM 0 HD22 LEU A 83 8.253 4.887 -0.265 1.00 0.15 H new ATOM 0 HD23 LEU A 83 6.905 6.021 -0.513 1.00 0.15 H new ATOM 1325 N ILE A 84 8.756 7.403 1.755 1.00 0.07 N ATOM 1326 CA ILE A 84 8.412 6.823 3.084 1.00 0.09 C ATOM 1327 C ILE A 84 7.227 7.587 3.679 1.00 0.14 C ATOM 1328 O ILE A 84 6.530 7.094 4.544 1.00 0.44 O ATOM 1329 CB ILE A 84 9.617 6.943 4.022 1.00 0.12 C ATOM 1330 CG1 ILE A 84 10.890 6.532 3.275 1.00 0.10 C ATOM 1331 CG2 ILE A 84 9.418 6.028 5.229 1.00 0.15 C ATOM 1332 CD1 ILE A 84 10.656 5.204 2.553 1.00 0.07 C ATOM 0 H ILE A 84 9.743 7.622 1.619 1.00 0.07 H new ATOM 0 HA ILE A 84 8.148 5.772 2.965 1.00 0.09 H new ATOM 0 HB ILE A 84 9.711 7.975 4.360 1.00 0.12 H new ATOM 0 HG12 ILE A 84 11.167 7.304 2.557 1.00 0.10 H new ATOM 0 HG13 ILE A 84 11.719 6.435 3.976 1.00 0.10 H new ATOM 0 HG21 ILE A 84 10.276 6.114 5.896 1.00 0.15 H new ATOM 0 HG22 ILE A 84 8.513 6.320 5.762 1.00 0.15 H new ATOM 0 HG23 ILE A 84 9.323 4.996 4.891 1.00 0.15 H new ATOM 0 HD11 ILE A 84 11.563 4.914 2.022 1.00 0.07 H new ATOM 0 HD12 ILE A 84 10.399 4.434 3.281 1.00 0.07 H new ATOM 0 HD13 ILE A 84 9.839 5.316 1.840 1.00 0.07 H new ATOM 1344 N ARG A 85 6.992 8.786 3.222 1.00 0.44 N ATOM 1345 CA ARG A 85 5.852 9.578 3.762 1.00 0.48 C ATOM 1346 C ARG A 85 4.546 9.081 3.138 1.00 0.44 C ATOM 1347 O ARG A 85 3.559 8.881 3.817 1.00 0.44 O ATOM 1348 CB ARG A 85 6.051 11.056 3.417 1.00 0.57 C ATOM 1349 CG ARG A 85 6.070 11.883 4.705 1.00 0.47 C ATOM 1350 CD ARG A 85 6.322 13.352 4.363 1.00 1.38 C ATOM 1351 NE ARG A 85 5.324 14.205 5.069 1.00 1.95 N ATOM 1352 CZ ARG A 85 5.519 15.490 5.170 1.00 2.51 C ATOM 1353 NH1 ARG A 85 6.589 16.030 4.653 1.00 2.71 N ATOM 1354 NH2 ARG A 85 4.645 16.237 5.787 1.00 3.19 N ATOM 0 H ARG A 85 7.540 9.251 2.498 1.00 0.44 H new ATOM 0 HA ARG A 85 5.806 9.459 4.845 1.00 0.48 H new ATOM 0 HB2 ARG A 85 6.985 11.191 2.872 1.00 0.57 H new ATOM 0 HB3 ARG A 85 5.249 11.399 2.764 1.00 0.57 H new ATOM 0 HG2 ARG A 85 5.121 11.778 5.231 1.00 0.47 H new ATOM 0 HG3 ARG A 85 6.848 11.516 5.374 1.00 0.47 H new ATOM 0 HD2 ARG A 85 7.332 13.637 4.657 1.00 1.38 H new ATOM 0 HD3 ARG A 85 6.249 13.503 3.286 1.00 1.38 H new ATOM 0 HE ARG A 85 4.488 13.783 5.473 1.00 1.95 H new ATOM 0 HH11 ARG A 85 7.272 15.447 4.170 1.00 2.71 H new ATOM 0 HH12 ARG A 85 6.742 17.035 4.732 1.00 2.71 H new ATOM 0 HH21 ARG A 85 3.808 15.816 6.191 1.00 3.19 H new ATOM 0 HH22 ARG A 85 4.798 17.242 5.866 1.00 3.19 H new ATOM 1368 N PHE A 86 4.533 8.880 1.849 1.00 0.44 N ATOM 1369 CA PHE A 86 3.292 8.397 1.182 1.00 0.43 C ATOM 1370 C PHE A 86 2.846 7.081 1.825 1.00 0.30 C ATOM 1371 O PHE A 86 1.701 6.919 2.198 1.00 0.30 O ATOM 1372 CB PHE A 86 3.568 8.170 -0.305 1.00 0.49 C ATOM 1373 CG PHE A 86 3.402 9.473 -1.052 1.00 0.60 C ATOM 1374 CD1 PHE A 86 2.121 9.938 -1.372 1.00 0.61 C ATOM 1375 CD2 PHE A 86 4.530 10.215 -1.424 1.00 0.71 C ATOM 1376 CE1 PHE A 86 1.967 11.146 -2.064 1.00 0.74 C ATOM 1377 CE2 PHE A 86 4.376 11.422 -2.115 1.00 0.85 C ATOM 1378 CZ PHE A 86 3.095 11.888 -2.435 1.00 0.86 C ATOM 0 H PHE A 86 5.329 9.030 1.229 1.00 0.44 H new ATOM 0 HA PHE A 86 2.505 9.142 1.296 1.00 0.43 H new ATOM 0 HB2 PHE A 86 4.578 7.785 -0.444 1.00 0.49 H new ATOM 0 HB3 PHE A 86 2.884 7.421 -0.703 1.00 0.49 H new ATOM 0 HD1 PHE A 86 1.251 9.365 -1.085 1.00 0.61 H new ATOM 0 HD2 PHE A 86 5.518 9.856 -1.178 1.00 0.71 H new ATOM 0 HE1 PHE A 86 0.979 11.505 -2.311 1.00 0.74 H new ATOM 0 HE2 PHE A 86 5.246 11.994 -2.402 1.00 0.85 H new ATOM 0 HZ PHE A 86 2.977 12.820 -2.968 1.00 0.86 H new ATOM 1388 N LEU A 87 3.741 6.140 1.956 1.00 0.24 N ATOM 1389 CA LEU A 87 3.364 4.837 2.574 1.00 0.21 C ATOM 1390 C LEU A 87 2.858 5.074 3.999 1.00 0.26 C ATOM 1391 O LEU A 87 1.832 4.559 4.397 1.00 0.28 O ATOM 1392 CB LEU A 87 4.587 3.919 2.614 1.00 0.25 C ATOM 1393 CG LEU A 87 5.220 3.849 1.224 1.00 0.13 C ATOM 1394 CD1 LEU A 87 6.432 2.917 1.260 1.00 0.30 C ATOM 1395 CD2 LEU A 87 4.194 3.313 0.224 1.00 0.24 C ATOM 0 H LEU A 87 4.715 6.217 1.663 1.00 0.24 H new ATOM 0 HA LEU A 87 2.577 4.369 1.982 1.00 0.21 H new ATOM 0 HB2 LEU A 87 5.312 4.293 3.337 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.295 2.922 2.943 1.00 0.25 H new ATOM 0 HG LEU A 87 5.539 4.846 0.920 1.00 0.13 H new ATOM 0 HD11 LEU A 87 6.883 2.868 0.269 1.00 0.30 H new ATOM 0 HD12 LEU A 87 7.163 3.299 1.972 1.00 0.30 H new ATOM 0 HD13 LEU A 87 6.115 1.920 1.564 1.00 0.30 H new ATOM 0 HD21 LEU A 87 4.644 3.263 -0.767 1.00 0.24 H new ATOM 0 HD22 LEU A 87 3.875 2.316 0.529 1.00 0.24 H new ATOM 0 HD23 LEU A 87 3.331 3.978 0.197 1.00 0.24 H new ATOM 1407 N LYS A 88 3.571 5.849 4.770 1.00 0.35 N ATOM 1408 CA LYS A 88 3.132 6.117 6.169 1.00 0.49 C ATOM 1409 C LYS A 88 1.692 6.634 6.165 1.00 0.46 C ATOM 1410 O LYS A 88 0.961 6.467 7.120 1.00 0.49 O ATOM 1411 CB LYS A 88 4.048 7.174 6.795 1.00 0.73 C ATOM 1412 CG LYS A 88 5.136 6.496 7.636 1.00 0.74 C ATOM 1413 CD LYS A 88 4.599 6.193 9.040 1.00 1.54 C ATOM 1414 CE LYS A 88 5.739 5.682 9.918 1.00 1.18 C ATOM 1415 NZ LYS A 88 6.462 4.588 9.210 1.00 1.78 N ATOM 0 H LYS A 88 4.438 6.308 4.492 1.00 0.35 H new ATOM 0 HA LYS A 88 3.185 5.195 6.748 1.00 0.49 H new ATOM 0 HB2 LYS A 88 4.506 7.779 6.013 1.00 0.73 H new ATOM 0 HB3 LYS A 88 3.463 7.850 7.419 1.00 0.73 H new ATOM 0 HG2 LYS A 88 5.458 5.573 7.154 1.00 0.74 H new ATOM 0 HG3 LYS A 88 6.011 7.143 7.704 1.00 0.74 H new ATOM 0 HD2 LYS A 88 4.163 7.092 9.477 1.00 1.54 H new ATOM 0 HD3 LYS A 88 3.805 5.448 8.985 1.00 1.54 H new ATOM 0 HE2 LYS A 88 6.426 6.496 10.150 1.00 1.18 H new ATOM 0 HE3 LYS A 88 5.346 5.317 10.867 1.00 1.18 H new ATOM 0 HZ1 LYS A 88 6.995 4.021 9.900 1.00 1.78 H new ATOM 0 HZ2 LYS A 88 5.776 3.980 8.718 1.00 1.78 H new ATOM 0 HZ3 LYS A 88 7.120 4.998 8.517 1.00 1.78 H new ATOM 1429 N ARG A 89 1.278 7.263 5.099 1.00 0.46 N ATOM 1430 CA ARG A 89 -0.114 7.791 5.041 1.00 0.50 C ATOM 1431 C ARG A 89 -1.083 6.651 4.718 1.00 0.36 C ATOM 1432 O ARG A 89 -1.833 6.203 5.562 1.00 0.32 O ATOM 1433 CB ARG A 89 -0.208 8.862 3.952 1.00 0.61 C ATOM 1434 CG ARG A 89 -1.646 9.377 3.863 1.00 1.01 C ATOM 1435 CD ARG A 89 -1.642 10.818 3.350 1.00 0.93 C ATOM 1436 NE ARG A 89 -1.378 11.748 4.484 1.00 0.28 N ATOM 1437 CZ ARG A 89 -1.038 12.985 4.249 1.00 0.44 C ATOM 1438 NH1 ARG A 89 -0.930 13.409 3.018 1.00 0.77 N ATOM 1439 NH2 ARG A 89 -0.806 13.799 5.241 1.00 1.02 N ATOM 0 H ARG A 89 1.843 7.434 4.267 1.00 0.46 H new ATOM 0 HA ARG A 89 -0.376 8.227 6.005 1.00 0.50 H new ATOM 0 HB2 ARG A 89 0.471 9.685 4.177 1.00 0.61 H new ATOM 0 HB3 ARG A 89 0.101 8.448 2.992 1.00 0.61 H new ATOM 0 HG2 ARG A 89 -2.229 8.744 3.195 1.00 1.01 H new ATOM 0 HG3 ARG A 89 -2.122 9.330 4.843 1.00 1.01 H new ATOM 0 HD2 ARG A 89 -0.879 10.939 2.581 1.00 0.93 H new ATOM 0 HD3 ARG A 89 -2.601 11.054 2.888 1.00 0.93 H new ATOM 0 HE ARG A 89 -1.463 11.417 5.445 1.00 0.28 H new ATOM 0 HH11 ARG A 89 -1.112 12.773 2.242 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.664 14.376 2.833 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -0.890 13.469 6.202 1.00 1.02 H new ATOM 0 HH22 ARG A 89 -0.540 14.766 5.056 1.00 1.02 H new ATOM 1453 N LEU A 90 -1.074 6.178 3.501 1.00 0.33 N ATOM 1454 CA LEU A 90 -1.995 5.069 3.127 1.00 0.30 C ATOM 1455 C LEU A 90 -1.750 3.868 4.043 1.00 0.18 C ATOM 1456 O LEU A 90 -2.454 2.880 3.989 1.00 0.54 O ATOM 1457 CB LEU A 90 -1.742 4.663 1.673 1.00 0.33 C ATOM 1458 CG LEU A 90 -0.286 4.230 1.509 1.00 0.18 C ATOM 1459 CD1 LEU A 90 -0.218 2.710 1.359 1.00 0.22 C ATOM 1460 CD2 LEU A 90 0.304 4.892 0.262 1.00 0.16 C ATOM 0 H LEU A 90 -0.469 6.512 2.751 1.00 0.33 H new ATOM 0 HA LEU A 90 -3.027 5.403 3.237 1.00 0.30 H new ATOM 0 HB2 LEU A 90 -2.409 3.848 1.391 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.961 5.498 1.008 1.00 0.33 H new ATOM 0 HG LEU A 90 0.284 4.533 2.387 1.00 0.18 H new ATOM 0 HD11 LEU A 90 0.821 2.402 1.242 1.00 0.22 H new ATOM 0 HD12 LEU A 90 -0.639 2.238 2.247 1.00 0.22 H new ATOM 0 HD13 LEU A 90 -0.788 2.405 0.481 1.00 0.22 H new ATOM 0 HD21 LEU A 90 1.343 4.584 0.144 1.00 0.16 H new ATOM 0 HD22 LEU A 90 -0.267 4.588 -0.616 1.00 0.16 H new ATOM 0 HD23 LEU A 90 0.257 5.976 0.369 1.00 0.16 H new ATOM 1472 N ASP A 91 -0.755 3.945 4.885 1.00 0.29 N ATOM 1473 CA ASP A 91 -0.467 2.807 5.803 1.00 0.37 C ATOM 1474 C ASP A 91 -1.493 2.796 6.938 1.00 0.33 C ATOM 1475 O ASP A 91 -2.024 1.763 7.297 1.00 0.30 O ATOM 1476 CB ASP A 91 0.938 2.967 6.387 1.00 0.55 C ATOM 1477 CG ASP A 91 1.038 2.181 7.697 1.00 0.91 C ATOM 1478 OD1 ASP A 91 0.903 0.969 7.650 1.00 0.15 O ATOM 1479 OD2 ASP A 91 1.249 2.805 8.724 1.00 2.12 O ATOM 0 H ASP A 91 -0.130 4.746 4.976 1.00 0.29 H new ATOM 0 HA ASP A 91 -0.526 1.869 5.250 1.00 0.37 H new ATOM 0 HB2 ASP A 91 1.682 2.607 5.677 1.00 0.55 H new ATOM 0 HB3 ASP A 91 1.152 4.021 6.565 1.00 0.55 H new ATOM 1484 N ARG A 92 -1.776 3.935 7.506 1.00 0.34 N ATOM 1485 CA ARG A 92 -2.766 3.988 8.618 1.00 0.31 C ATOM 1486 C ARG A 92 -4.182 4.024 8.040 1.00 0.25 C ATOM 1487 O ARG A 92 -5.127 3.576 8.658 1.00 0.27 O ATOM 1488 CB ARG A 92 -2.526 5.245 9.456 1.00 0.37 C ATOM 1489 CG ARG A 92 -1.157 5.154 10.132 1.00 0.38 C ATOM 1490 CD ARG A 92 -1.335 4.750 11.597 1.00 0.75 C ATOM 1491 NE ARG A 92 -1.830 5.918 12.378 1.00 1.86 N ATOM 1492 CZ ARG A 92 -2.334 5.741 13.568 1.00 2.37 C ATOM 1493 NH1 ARG A 92 -2.404 4.540 14.075 1.00 2.04 N ATOM 1494 NH2 ARG A 92 -2.768 6.764 14.252 1.00 3.39 N ATOM 0 H ARG A 92 -1.364 4.832 7.248 1.00 0.34 H new ATOM 0 HA ARG A 92 -2.652 3.105 9.247 1.00 0.31 H new ATOM 0 HB2 ARG A 92 -2.573 6.131 8.823 1.00 0.37 H new ATOM 0 HB3 ARG A 92 -3.308 5.349 10.208 1.00 0.37 H new ATOM 0 HG2 ARG A 92 -0.533 4.424 9.616 1.00 0.38 H new ATOM 0 HG3 ARG A 92 -0.644 6.114 10.068 1.00 0.38 H new ATOM 0 HD2 ARG A 92 -2.040 3.922 11.674 1.00 0.75 H new ATOM 0 HD3 ARG A 92 -0.387 4.400 12.007 1.00 0.75 H new ATOM 0 HE ARG A 92 -1.775 6.856 11.982 1.00 1.86 H new ATOM 0 HH11 ARG A 92 -2.065 3.740 13.541 1.00 2.04 H new ATOM 0 HH12 ARG A 92 -2.798 4.401 15.006 1.00 2.04 H new ATOM 0 HH21 ARG A 92 -2.713 7.702 13.856 1.00 3.39 H new ATOM 0 HH22 ARG A 92 -3.162 6.625 15.183 1.00 3.39 H new ATOM 1508 N ASN A 93 -4.338 4.555 6.858 1.00 0.19 N ATOM 1509 CA ASN A 93 -5.693 4.620 6.242 1.00 0.17 C ATOM 1510 C ASN A 93 -6.189 3.202 5.949 1.00 0.11 C ATOM 1511 O ASN A 93 -7.245 2.798 6.396 1.00 0.25 O ATOM 1512 CB ASN A 93 -5.625 5.416 4.938 1.00 0.18 C ATOM 1513 CG ASN A 93 -4.904 6.742 5.185 1.00 0.19 C ATOM 1514 OD1 ASN A 93 -4.085 7.159 4.391 1.00 0.57 O ATOM 1515 ND2 ASN A 93 -5.175 7.426 6.264 1.00 1.03 N ATOM 0 H ASN A 93 -3.585 4.947 6.292 1.00 0.19 H new ATOM 0 HA ASN A 93 -6.381 5.111 6.931 1.00 0.17 H new ATOM 0 HB2 ASN A 93 -5.099 4.841 4.176 1.00 0.18 H new ATOM 0 HB3 ASN A 93 -6.630 5.602 4.560 1.00 0.18 H new ATOM 0 HD21 ASN A 93 -4.699 8.311 6.440 1.00 1.03 H new ATOM 0 HD22 ASN A 93 -5.863 7.076 6.931 1.00 1.03 H new ATOM 1522 N LEU A 94 -5.436 2.442 5.200 1.00 0.12 N ATOM 1523 CA LEU A 94 -5.867 1.052 4.880 1.00 0.24 C ATOM 1524 C LEU A 94 -6.120 0.284 6.179 1.00 0.32 C ATOM 1525 O LEU A 94 -7.163 -0.309 6.368 1.00 0.54 O ATOM 1526 CB LEU A 94 -4.768 0.350 4.076 1.00 0.33 C ATOM 1527 CG LEU A 94 -4.847 0.777 2.605 1.00 0.49 C ATOM 1528 CD1 LEU A 94 -3.501 0.510 1.928 1.00 0.52 C ATOM 1529 CD2 LEU A 94 -5.938 -0.021 1.880 1.00 0.94 C ATOM 0 H LEU A 94 -4.542 2.724 4.797 1.00 0.12 H new ATOM 0 HA LEU A 94 -6.784 1.082 4.292 1.00 0.24 H new ATOM 0 HB2 LEU A 94 -3.789 0.601 4.485 1.00 0.33 H new ATOM 0 HB3 LEU A 94 -4.880 -0.731 4.157 1.00 0.33 H new ATOM 0 HG LEU A 94 -5.087 1.839 2.557 1.00 0.49 H new ATOM 0 HD11 LEU A 94 -3.553 0.812 0.882 1.00 0.52 H new ATOM 0 HD12 LEU A 94 -2.721 1.080 2.432 1.00 0.52 H new ATOM 0 HD13 LEU A 94 -3.269 -0.553 1.987 1.00 0.52 H new ATOM 0 HD21 LEU A 94 -5.984 0.291 0.837 1.00 0.94 H new ATOM 0 HD22 LEU A 94 -5.705 -1.085 1.931 1.00 0.94 H new ATOM 0 HD23 LEU A 94 -6.901 0.163 2.357 1.00 0.94 H new ATOM 1541 N TRP A 95 -5.172 0.290 7.075 1.00 0.24 N ATOM 1542 CA TRP A 95 -5.358 -0.440 8.361 1.00 0.28 C ATOM 1543 C TRP A 95 -6.351 0.321 9.241 1.00 0.27 C ATOM 1544 O TRP A 95 -6.763 -0.151 10.282 1.00 0.34 O ATOM 1545 CB TRP A 95 -4.014 -0.551 9.084 1.00 0.36 C ATOM 1546 CG TRP A 95 -4.238 -1.041 10.479 1.00 0.35 C ATOM 1547 CD1 TRP A 95 -4.468 -0.250 11.553 1.00 0.42 C ATOM 1548 CD2 TRP A 95 -4.256 -2.412 10.970 1.00 0.29 C ATOM 1549 NE1 TRP A 95 -4.628 -1.050 12.670 1.00 0.41 N ATOM 1550 CE2 TRP A 95 -4.505 -2.390 12.362 1.00 0.33 C ATOM 1551 CE3 TRP A 95 -4.084 -3.662 10.347 1.00 0.22 C ATOM 1552 CZ2 TRP A 95 -4.580 -3.566 13.111 1.00 0.30 C ATOM 1553 CZ3 TRP A 95 -4.158 -4.847 11.098 1.00 0.18 C ATOM 1554 CH2 TRP A 95 -4.406 -4.799 12.477 1.00 0.21 C ATOM 0 H TRP A 95 -4.277 0.768 6.973 1.00 0.24 H new ATOM 0 HA TRP A 95 -5.745 -1.439 8.159 1.00 0.28 H new ATOM 0 HB2 TRP A 95 -3.356 -1.235 8.548 1.00 0.36 H new ATOM 0 HB3 TRP A 95 -3.518 0.419 9.103 1.00 0.36 H new ATOM 0 HD1 TRP A 95 -4.518 0.829 11.540 1.00 0.42 H new ATOM 0 HE1 TRP A 95 -4.814 -0.693 13.607 1.00 0.41 H new ATOM 0 HE3 TRP A 95 -3.894 -3.711 9.285 1.00 0.22 H new ATOM 0 HZ2 TRP A 95 -4.771 -3.523 14.173 1.00 0.30 H new ATOM 0 HZ3 TRP A 95 -4.023 -5.801 10.610 1.00 0.18 H new ATOM 0 HH2 TRP A 95 -4.462 -5.714 13.048 1.00 0.21 H new ATOM 1565 N GLY A 96 -6.739 1.499 8.832 1.00 0.19 N ATOM 1566 CA GLY A 96 -7.703 2.291 9.646 1.00 0.24 C ATOM 1567 C GLY A 96 -9.116 1.735 9.449 1.00 0.25 C ATOM 1568 O GLY A 96 -9.728 1.231 10.369 1.00 0.32 O ATOM 0 H GLY A 96 -6.430 1.946 7.969 1.00 0.19 H new ATOM 0 HA2 GLY A 96 -7.427 2.247 10.700 1.00 0.24 H new ATOM 0 HA3 GLY A 96 -7.669 3.340 9.351 1.00 0.24 H new ATOM 1572 N LEU A 97 -9.639 1.827 8.257 1.00 0.20 N ATOM 1573 CA LEU A 97 -11.012 1.305 8.005 1.00 0.24 C ATOM 1574 C LEU A 97 -11.062 -0.191 8.321 1.00 0.29 C ATOM 1575 O LEU A 97 -12.092 -0.824 8.212 1.00 0.31 O ATOM 1576 CB LEU A 97 -11.399 1.540 6.536 1.00 0.24 C ATOM 1577 CG LEU A 97 -10.280 1.056 5.596 1.00 0.22 C ATOM 1578 CD1 LEU A 97 -10.185 -0.476 5.603 1.00 0.32 C ATOM 1579 CD2 LEU A 97 -10.583 1.532 4.174 1.00 0.22 C ATOM 0 H LEU A 97 -9.176 2.240 7.448 1.00 0.20 H new ATOM 0 HA LEU A 97 -11.718 1.831 8.648 1.00 0.24 H new ATOM 0 HB2 LEU A 97 -12.325 1.012 6.310 1.00 0.24 H new ATOM 0 HB3 LEU A 97 -11.588 2.601 6.369 1.00 0.24 H new ATOM 0 HG LEU A 97 -9.331 1.466 5.942 1.00 0.22 H new ATOM 0 HD11 LEU A 97 -9.388 -0.794 4.932 1.00 0.32 H new ATOM 0 HD12 LEU A 97 -9.968 -0.822 6.613 1.00 0.32 H new ATOM 0 HD13 LEU A 97 -11.132 -0.901 5.269 1.00 0.32 H new ATOM 0 HD21 LEU A 97 -9.795 1.193 3.501 1.00 0.22 H new ATOM 0 HD22 LEU A 97 -11.539 1.121 3.849 1.00 0.22 H new ATOM 0 HD23 LEU A 97 -10.631 2.621 4.157 1.00 0.22 H new ATOM 1591 N ALA A 98 -9.954 -0.760 8.713 1.00 0.30 N ATOM 1592 CA ALA A 98 -9.941 -2.215 9.034 1.00 0.34 C ATOM 1593 C ALA A 98 -10.480 -2.431 10.449 1.00 0.34 C ATOM 1594 O ALA A 98 -11.582 -2.904 10.638 1.00 0.33 O ATOM 1595 CB ALA A 98 -8.507 -2.742 8.949 1.00 0.38 C ATOM 0 H ALA A 98 -9.060 -0.281 8.824 1.00 0.30 H new ATOM 0 HA ALA A 98 -10.569 -2.750 8.321 1.00 0.34 H new ATOM 0 HB1 ALA A 98 -8.496 -3.806 9.184 1.00 0.38 H new ATOM 0 HB2 ALA A 98 -8.122 -2.589 7.941 1.00 0.38 H new ATOM 0 HB3 ALA A 98 -7.880 -2.207 9.662 1.00 0.38 H new ATOM 1601 N GLY A 99 -9.709 -2.088 11.446 1.00 0.37 N ATOM 1602 CA GLY A 99 -10.179 -2.275 12.848 1.00 0.37 C ATOM 1603 C GLY A 99 -9.922 -3.717 13.286 1.00 0.48 C ATOM 1604 O GLY A 99 -10.540 -4.217 14.204 1.00 0.74 O ATOM 0 H GLY A 99 -8.776 -1.687 11.350 1.00 0.37 H new ATOM 0 HA2 GLY A 99 -9.659 -1.584 13.512 1.00 0.37 H new ATOM 0 HA3 GLY A 99 -11.242 -2.046 12.920 1.00 0.37 H new ATOM 1608 N LEU A 100 -9.014 -4.392 12.635 1.00 0.31 N ATOM 1609 CA LEU A 100 -8.718 -5.802 13.014 1.00 0.41 C ATOM 1610 C LEU A 100 -7.575 -5.828 14.030 1.00 0.44 C ATOM 1611 O LEU A 100 -6.596 -5.122 13.896 1.00 0.51 O ATOM 1612 CB LEU A 100 -8.310 -6.590 11.768 1.00 0.42 C ATOM 1613 CG LEU A 100 -9.535 -7.296 11.184 1.00 0.32 C ATOM 1614 CD1 LEU A 100 -9.294 -7.600 9.705 1.00 0.24 C ATOM 1615 CD2 LEU A 100 -9.778 -8.605 11.940 1.00 0.26 C ATOM 0 H LEU A 100 -8.464 -4.027 11.857 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.607 -6.254 13.455 1.00 0.41 H new ATOM 0 HB2 LEU A 100 -7.877 -5.919 11.027 1.00 0.42 H new ATOM 0 HB3 LEU A 100 -7.543 -7.321 12.023 1.00 0.42 H new ATOM 0 HG LEU A 100 -10.407 -6.650 11.284 1.00 0.32 H new ATOM 0 HD11 LEU A 100 -10.167 -8.103 9.290 1.00 0.24 H new ATOM 0 HD12 LEU A 100 -9.121 -6.669 9.166 1.00 0.24 H new ATOM 0 HD13 LEU A 100 -8.421 -8.245 9.604 1.00 0.24 H new ATOM 0 HD21 LEU A 100 -10.651 -9.109 11.524 1.00 0.26 H new ATOM 0 HD22 LEU A 100 -8.905 -9.250 11.840 1.00 0.26 H new ATOM 0 HD23 LEU A 100 -9.951 -8.389 12.994 1.00 0.26 H new ATOM 1627 N ASN A 101 -7.690 -6.638 15.047 1.00 0.52 N ATOM 1628 CA ASN A 101 -6.610 -6.709 16.071 1.00 0.55 C ATOM 1629 C ASN A 101 -5.626 -7.819 15.699 1.00 0.58 C ATOM 1630 O ASN A 101 -4.477 -7.566 15.390 1.00 0.61 O ATOM 1631 CB ASN A 101 -7.223 -7.009 17.440 1.00 0.63 C ATOM 1632 CG ASN A 101 -6.169 -6.805 18.529 1.00 1.70 C ATOM 1633 OD1 ASN A 101 -6.398 -6.091 19.486 1.00 1.54 O ATOM 1634 ND2 ASN A 101 -5.014 -7.404 18.422 1.00 3.15 N ATOM 0 H ASN A 101 -8.486 -7.254 15.213 1.00 0.52 H new ATOM 0 HA ASN A 101 -6.084 -5.755 16.110 1.00 0.55 H new ATOM 0 HB2 ASN A 101 -8.077 -6.355 17.619 1.00 0.63 H new ATOM 0 HB3 ASN A 101 -7.595 -8.033 17.467 1.00 0.63 H new ATOM 0 HD21 ASN A 101 -4.303 -7.273 19.142 1.00 3.15 H new ATOM 0 HD22 ASN A 101 -4.823 -8.003 17.619 1.00 3.15 H new ATOM 1641 N SER A 102 -6.064 -9.047 15.725 1.00 0.59 N ATOM 1642 CA SER A 102 -5.153 -10.172 15.372 1.00 0.62 C ATOM 1643 C SER A 102 -5.236 -10.444 13.869 1.00 0.54 C ATOM 1644 O SER A 102 -6.304 -10.622 13.319 1.00 0.56 O ATOM 1645 CB SER A 102 -5.571 -11.426 16.141 1.00 0.74 C ATOM 1646 OG SER A 102 -4.453 -11.926 16.865 1.00 2.07 O ATOM 0 H SER A 102 -7.014 -9.321 15.976 1.00 0.59 H new ATOM 0 HA SER A 102 -4.129 -9.907 15.637 1.00 0.62 H new ATOM 0 HB2 SER A 102 -6.387 -11.192 16.825 1.00 0.74 H new ATOM 0 HB3 SER A 102 -5.941 -12.184 15.451 1.00 0.74 H new ATOM 0 HG SER A 102 -4.717 -12.729 17.361 1.00 2.07 H new ATOM 1652 N CYS A 103 -4.115 -10.479 13.200 1.00 0.49 N ATOM 1653 CA CYS A 103 -4.132 -10.741 11.734 1.00 0.41 C ATOM 1654 C CYS A 103 -2.763 -11.272 11.288 1.00 0.39 C ATOM 1655 O CYS A 103 -2.048 -10.595 10.575 1.00 0.35 O ATOM 1656 CB CYS A 103 -4.429 -9.435 10.994 1.00 0.36 C ATOM 1657 SG CYS A 103 -4.608 -9.770 9.224 1.00 0.29 S ATOM 0 H CYS A 103 -3.190 -10.338 13.606 1.00 0.49 H new ATOM 0 HA CYS A 103 -4.900 -11.481 11.507 1.00 0.41 H new ATOM 0 HB2 CYS A 103 -5.341 -8.984 11.383 1.00 0.36 H new ATOM 0 HB3 CYS A 103 -3.624 -8.720 11.160 1.00 0.36 H new ATOM 1662 N PRO A 104 -2.430 -12.466 11.719 1.00 0.43 N ATOM 1663 CA PRO A 104 -1.141 -13.088 11.365 1.00 0.41 C ATOM 1664 C PRO A 104 -1.061 -13.317 9.853 1.00 0.33 C ATOM 1665 O PRO A 104 -2.056 -13.557 9.198 1.00 0.33 O ATOM 1666 CB PRO A 104 -1.128 -14.427 12.114 1.00 0.47 C ATOM 1667 CG PRO A 104 -2.465 -14.547 12.889 1.00 0.53 C ATOM 1668 CD PRO A 104 -3.296 -13.290 12.587 1.00 0.50 C ATOM 0 HA PRO A 104 -0.291 -12.461 11.636 1.00 0.41 H new ATOM 0 HB2 PRO A 104 -1.016 -15.255 11.414 1.00 0.47 H new ATOM 0 HB3 PRO A 104 -0.283 -14.473 12.801 1.00 0.47 H new ATOM 0 HG2 PRO A 104 -3.004 -15.444 12.584 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -2.280 -14.635 13.960 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.231 -13.544 12.087 1.00 0.50 H new ATOM 0 HD3 PRO A 104 -3.558 -12.760 13.502 1.00 0.50 H new ATOM 1676 N VAL A 105 0.115 -13.242 9.294 1.00 0.30 N ATOM 1677 CA VAL A 105 0.259 -13.456 7.827 1.00 0.25 C ATOM 1678 C VAL A 105 0.576 -14.928 7.554 1.00 0.27 C ATOM 1679 O VAL A 105 1.380 -15.535 8.233 1.00 0.55 O ATOM 1680 CB VAL A 105 1.396 -12.583 7.293 1.00 0.26 C ATOM 1681 CG1 VAL A 105 2.727 -13.071 7.865 1.00 0.32 C ATOM 1682 CG2 VAL A 105 1.434 -12.674 5.765 1.00 0.27 C ATOM 0 H VAL A 105 0.983 -13.042 9.790 1.00 0.30 H new ATOM 0 HA VAL A 105 -0.672 -13.186 7.328 1.00 0.25 H new ATOM 0 HB VAL A 105 1.230 -11.548 7.592 1.00 0.26 H new ATOM 0 HG11 VAL A 105 3.537 -12.449 7.484 1.00 0.32 H new ATOM 0 HG12 VAL A 105 2.701 -13.007 8.953 1.00 0.32 H new ATOM 0 HG13 VAL A 105 2.894 -14.106 7.566 1.00 0.32 H new ATOM 0 HG21 VAL A 105 2.244 -12.052 5.384 1.00 0.27 H new ATOM 0 HG22 VAL A 105 1.600 -13.709 5.466 1.00 0.27 H new ATOM 0 HG23 VAL A 105 0.486 -12.326 5.356 1.00 0.27 H new ATOM 1692 N LYS A 106 -0.049 -15.507 6.566 1.00 0.33 N ATOM 1693 CA LYS A 106 0.218 -16.939 6.252 1.00 0.38 C ATOM 1694 C LYS A 106 1.326 -17.033 5.203 1.00 0.40 C ATOM 1695 O LYS A 106 2.373 -16.429 5.336 1.00 0.26 O ATOM 1696 CB LYS A 106 -1.057 -17.587 5.708 1.00 0.54 C ATOM 1697 CG LYS A 106 -0.924 -19.110 5.778 1.00 0.85 C ATOM 1698 CD LYS A 106 -1.634 -19.740 4.577 1.00 0.79 C ATOM 1699 CE LYS A 106 -1.656 -21.261 4.737 1.00 1.37 C ATOM 1700 NZ LYS A 106 -2.283 -21.614 6.041 1.00 1.65 N ATOM 0 H LYS A 106 -0.733 -15.050 5.963 1.00 0.33 H new ATOM 0 HA LYS A 106 0.532 -17.458 7.158 1.00 0.38 H new ATOM 0 HB2 LYS A 106 -1.920 -17.259 6.288 1.00 0.54 H new ATOM 0 HB3 LYS A 106 -1.227 -17.273 4.678 1.00 0.54 H new ATOM 0 HG2 LYS A 106 0.128 -19.394 5.782 1.00 0.85 H new ATOM 0 HG3 LYS A 106 -1.358 -19.481 6.706 1.00 0.85 H new ATOM 0 HD2 LYS A 106 -2.652 -19.357 4.501 1.00 0.79 H new ATOM 0 HD3 LYS A 106 -1.121 -19.468 3.654 1.00 0.79 H new ATOM 0 HE2 LYS A 106 -2.214 -21.715 3.918 1.00 1.37 H new ATOM 0 HE3 LYS A 106 -0.642 -21.657 4.690 1.00 1.37 H new ATOM 0 HZ1 LYS A 106 -2.798 -22.512 5.947 1.00 1.65 H new ATOM 0 HZ2 LYS A 106 -1.544 -21.713 6.766 1.00 1.65 H new ATOM 0 HZ3 LYS A 106 -2.945 -20.863 6.322 1.00 1.65 H new ATOM 1714 N GLU A 107 1.106 -17.786 4.159 1.00 0.65 N ATOM 1715 CA GLU A 107 2.147 -17.918 3.102 1.00 0.69 C ATOM 1716 C GLU A 107 1.890 -16.888 2.000 1.00 0.38 C ATOM 1717 O GLU A 107 0.983 -16.083 2.088 1.00 0.83 O ATOM 1718 CB GLU A 107 2.091 -19.326 2.505 1.00 1.10 C ATOM 1719 CG GLU A 107 2.919 -20.280 3.369 1.00 1.59 C ATOM 1720 CD GLU A 107 2.857 -21.689 2.777 1.00 2.62 C ATOM 1721 OE1 GLU A 107 3.079 -21.820 1.584 1.00 3.17 O ATOM 1722 OE2 GLU A 107 2.588 -22.614 3.526 1.00 3.22 O ATOM 0 H GLU A 107 0.250 -18.315 3.993 1.00 0.65 H new ATOM 0 HA GLU A 107 3.131 -17.746 3.538 1.00 0.69 H new ATOM 0 HB2 GLU A 107 1.058 -19.670 2.453 1.00 1.10 H new ATOM 0 HB3 GLU A 107 2.475 -19.316 1.485 1.00 1.10 H new ATOM 0 HG2 GLU A 107 3.953 -19.939 3.417 1.00 1.59 H new ATOM 0 HG3 GLU A 107 2.538 -20.286 4.390 1.00 1.59 H new ATOM 1729 N ALA A 108 2.681 -16.905 0.962 1.00 0.38 N ATOM 1730 CA ALA A 108 2.481 -15.928 -0.144 1.00 0.59 C ATOM 1731 C ALA A 108 3.670 -15.994 -1.104 1.00 0.52 C ATOM 1732 O ALA A 108 4.806 -16.124 -0.693 1.00 0.66 O ATOM 1733 CB ALA A 108 2.372 -14.516 0.437 1.00 1.10 C ATOM 0 H ALA A 108 3.457 -17.554 0.833 1.00 0.38 H new ATOM 0 HA ALA A 108 1.565 -16.171 -0.683 1.00 0.59 H new ATOM 0 HB1 ALA A 108 2.226 -13.800 -0.372 1.00 1.10 H new ATOM 0 HB2 ALA A 108 1.525 -14.469 1.121 1.00 1.10 H new ATOM 0 HB3 ALA A 108 3.288 -14.273 0.976 1.00 1.10 H new ATOM 1739 N ASP A 109 3.418 -15.904 -2.382 1.00 0.41 N ATOM 1740 CA ASP A 109 4.535 -15.962 -3.367 1.00 0.38 C ATOM 1741 C ASP A 109 5.355 -14.673 -3.284 1.00 0.32 C ATOM 1742 O ASP A 109 5.813 -14.284 -2.227 1.00 0.32 O ATOM 1743 CB ASP A 109 3.963 -16.113 -4.777 1.00 0.42 C ATOM 1744 CG ASP A 109 3.216 -17.444 -4.887 1.00 0.48 C ATOM 1745 OD1 ASP A 109 3.033 -18.083 -3.864 1.00 1.83 O ATOM 1746 OD2 ASP A 109 2.840 -17.801 -5.991 1.00 1.17 O ATOM 0 H ASP A 109 2.488 -15.793 -2.786 1.00 0.41 H new ATOM 0 HA ASP A 109 5.175 -16.815 -3.141 1.00 0.38 H new ATOM 0 HB2 ASP A 109 3.288 -15.286 -4.997 1.00 0.42 H new ATOM 0 HB3 ASP A 109 4.766 -16.073 -5.513 1.00 0.42 H new ATOM 1751 N GLN A 110 5.545 -14.008 -4.390 1.00 0.28 N ATOM 1752 CA GLN A 110 6.336 -12.745 -4.373 1.00 0.25 C ATOM 1753 C GLN A 110 5.944 -11.882 -5.574 1.00 0.27 C ATOM 1754 O GLN A 110 5.376 -12.360 -6.535 1.00 0.31 O ATOM 1755 CB GLN A 110 7.828 -13.077 -4.449 1.00 0.40 C ATOM 1756 CG GLN A 110 8.550 -12.459 -3.250 1.00 1.07 C ATOM 1757 CD GLN A 110 10.035 -12.826 -3.302 1.00 0.97 C ATOM 1758 OE1 GLN A 110 10.625 -12.867 -4.363 1.00 0.66 O ATOM 1759 NE2 GLN A 110 10.666 -13.096 -2.193 1.00 2.00 N ATOM 0 H GLN A 110 5.187 -14.284 -5.304 1.00 0.28 H new ATOM 0 HA GLN A 110 6.131 -12.200 -3.451 1.00 0.25 H new ATOM 0 HB2 GLN A 110 7.971 -14.158 -4.456 1.00 0.40 H new ATOM 0 HB3 GLN A 110 8.250 -12.694 -5.378 1.00 0.40 H new ATOM 0 HG2 GLN A 110 8.432 -11.375 -3.260 1.00 1.07 H new ATOM 0 HG3 GLN A 110 8.108 -12.819 -2.321 1.00 1.07 H new ATOM 0 HE21 GLN A 110 10.170 -13.061 -1.302 1.00 2.00 H new ATOM 0 HE22 GLN A 110 11.656 -13.342 -2.216 1.00 2.00 H new ATOM 1768 N SER A 111 6.243 -10.613 -5.527 1.00 0.31 N ATOM 1769 CA SER A 111 5.887 -9.721 -6.667 1.00 0.45 C ATOM 1770 C SER A 111 6.716 -8.437 -6.588 1.00 0.42 C ATOM 1771 O SER A 111 7.327 -8.142 -5.580 1.00 0.48 O ATOM 1772 CB SER A 111 4.400 -9.373 -6.596 1.00 0.53 C ATOM 1773 OG SER A 111 4.062 -9.030 -5.258 1.00 0.43 O ATOM 0 H SER A 111 6.718 -10.155 -4.749 1.00 0.31 H new ATOM 0 HA SER A 111 6.096 -10.231 -7.607 1.00 0.45 H new ATOM 0 HB2 SER A 111 4.177 -8.541 -7.264 1.00 0.53 H new ATOM 0 HB3 SER A 111 3.800 -10.220 -6.929 1.00 0.53 H new ATOM 0 HG SER A 111 3.110 -8.805 -5.209 1.00 0.43 H new ATOM 1779 N THR A 112 6.742 -7.672 -7.643 1.00 0.34 N ATOM 1780 CA THR A 112 7.531 -6.407 -7.629 1.00 0.31 C ATOM 1781 C THR A 112 6.630 -5.248 -7.198 1.00 0.32 C ATOM 1782 O THR A 112 5.481 -5.168 -7.582 1.00 0.41 O ATOM 1783 CB THR A 112 8.081 -6.133 -9.030 1.00 0.39 C ATOM 1784 OG1 THR A 112 6.999 -5.966 -9.937 1.00 0.31 O ATOM 1785 CG2 THR A 112 8.950 -7.308 -9.480 1.00 0.47 C ATOM 0 H THR A 112 6.251 -7.867 -8.515 1.00 0.34 H new ATOM 0 HA THR A 112 8.359 -6.503 -6.927 1.00 0.31 H new ATOM 0 HB THR A 112 8.685 -5.226 -9.012 1.00 0.39 H new ATOM 0 HG1 THR A 112 7.349 -5.789 -10.835 1.00 0.31 H new ATOM 0 HG21 THR A 112 9.341 -7.110 -10.478 1.00 0.47 H new ATOM 0 HG22 THR A 112 9.780 -7.434 -8.784 1.00 0.47 H new ATOM 0 HG23 THR A 112 8.350 -8.218 -9.499 1.00 0.47 H new ATOM 1793 N LEU A 113 7.143 -4.350 -6.403 1.00 0.26 N ATOM 1794 CA LEU A 113 6.315 -3.196 -5.949 1.00 0.31 C ATOM 1795 C LEU A 113 5.599 -2.582 -7.154 1.00 0.40 C ATOM 1796 O LEU A 113 4.542 -1.997 -7.029 1.00 0.43 O ATOM 1797 CB LEU A 113 7.223 -2.145 -5.299 1.00 0.27 C ATOM 1798 CG LEU A 113 6.373 -1.068 -4.605 1.00 0.32 C ATOM 1799 CD1 LEU A 113 5.896 -1.554 -3.228 1.00 0.17 C ATOM 1800 CD2 LEU A 113 7.216 0.197 -4.426 1.00 0.55 C ATOM 0 H LEU A 113 8.099 -4.365 -6.048 1.00 0.26 H new ATOM 0 HA LEU A 113 5.576 -3.536 -5.223 1.00 0.31 H new ATOM 0 HB2 LEU A 113 7.883 -2.622 -4.574 1.00 0.27 H new ATOM 0 HB3 LEU A 113 7.859 -1.685 -6.055 1.00 0.27 H new ATOM 0 HG LEU A 113 5.500 -0.858 -5.223 1.00 0.32 H new ATOM 0 HD11 LEU A 113 5.297 -0.776 -2.755 1.00 0.17 H new ATOM 0 HD12 LEU A 113 5.293 -2.454 -3.349 1.00 0.17 H new ATOM 0 HD13 LEU A 113 6.760 -1.777 -2.602 1.00 0.17 H new ATOM 0 HD21 LEU A 113 6.619 0.965 -3.934 1.00 0.55 H new ATOM 0 HD22 LEU A 113 8.089 -0.031 -3.815 1.00 0.55 H new ATOM 0 HD23 LEU A 113 7.541 0.559 -5.402 1.00 0.55 H new ATOM 1812 N GLU A 114 6.166 -2.712 -8.322 1.00 0.46 N ATOM 1813 CA GLU A 114 5.517 -2.138 -9.534 1.00 0.56 C ATOM 1814 C GLU A 114 4.216 -2.890 -9.818 1.00 0.50 C ATOM 1815 O GLU A 114 3.139 -2.330 -9.765 1.00 0.59 O ATOM 1816 CB GLU A 114 6.460 -2.276 -10.732 1.00 0.68 C ATOM 1817 CG GLU A 114 5.982 -1.368 -11.866 1.00 0.69 C ATOM 1818 CD GLU A 114 6.796 -0.074 -11.862 1.00 0.79 C ATOM 1819 OE1 GLU A 114 6.695 0.664 -10.895 1.00 1.98 O ATOM 1820 OE2 GLU A 114 7.509 0.158 -12.825 1.00 1.05 O ATOM 0 H GLU A 114 7.051 -3.191 -8.489 1.00 0.46 H new ATOM 0 HA GLU A 114 5.298 -1.084 -9.365 1.00 0.56 H new ATOM 0 HB2 GLU A 114 7.476 -2.008 -10.441 1.00 0.68 H new ATOM 0 HB3 GLU A 114 6.488 -3.312 -11.069 1.00 0.68 H new ATOM 0 HG2 GLU A 114 6.092 -1.876 -12.824 1.00 0.69 H new ATOM 0 HG3 GLU A 114 4.922 -1.144 -11.744 1.00 0.69 H new ATOM 1827 N ASN A 115 4.305 -4.156 -10.121 1.00 0.51 N ATOM 1828 CA ASN A 115 3.074 -4.943 -10.408 1.00 0.48 C ATOM 1829 C ASN A 115 2.144 -4.897 -9.194 1.00 0.32 C ATOM 1830 O ASN A 115 0.948 -4.725 -9.321 1.00 0.26 O ATOM 1831 CB ASN A 115 3.453 -6.395 -10.705 1.00 0.57 C ATOM 1832 CG ASN A 115 4.215 -6.463 -12.030 1.00 0.73 C ATOM 1833 OD1 ASN A 115 4.518 -7.535 -12.516 1.00 1.70 O ATOM 1834 ND2 ASN A 115 4.540 -5.356 -12.639 1.00 0.25 N ATOM 0 H ASN A 115 5.178 -4.679 -10.182 1.00 0.51 H new ATOM 0 HA ASN A 115 2.565 -4.517 -11.272 1.00 0.48 H new ATOM 0 HB2 ASN A 115 4.068 -6.794 -9.899 1.00 0.57 H new ATOM 0 HB3 ASN A 115 2.556 -7.013 -10.757 1.00 0.57 H new ATOM 0 HD21 ASN A 115 5.048 -5.390 -13.523 1.00 0.25 H new ATOM 0 HD22 ASN A 115 4.286 -4.456 -12.231 1.00 0.25 H new ATOM 1841 N PHE A 116 2.685 -5.048 -8.015 1.00 0.24 N ATOM 1842 CA PHE A 116 1.830 -5.012 -6.795 1.00 0.11 C ATOM 1843 C PHE A 116 0.990 -3.733 -6.800 1.00 0.07 C ATOM 1844 O PHE A 116 -0.223 -3.777 -6.871 1.00 0.40 O ATOM 1845 CB PHE A 116 2.719 -5.034 -5.550 1.00 0.12 C ATOM 1846 CG PHE A 116 1.853 -5.055 -4.314 1.00 0.14 C ATOM 1847 CD1 PHE A 116 1.384 -6.274 -3.809 1.00 0.21 C ATOM 1848 CD2 PHE A 116 1.520 -3.856 -3.672 1.00 0.15 C ATOM 1849 CE1 PHE A 116 0.581 -6.293 -2.661 1.00 0.24 C ATOM 1850 CE2 PHE A 116 0.718 -3.876 -2.524 1.00 0.16 C ATOM 1851 CZ PHE A 116 0.248 -5.095 -2.020 1.00 0.19 C ATOM 0 H PHE A 116 3.680 -5.194 -7.845 1.00 0.24 H new ATOM 0 HA PHE A 116 1.171 -5.880 -6.786 1.00 0.11 H new ATOM 0 HB2 PHE A 116 3.367 -5.910 -5.568 1.00 0.12 H new ATOM 0 HB3 PHE A 116 3.368 -4.158 -5.538 1.00 0.12 H new ATOM 0 HD1 PHE A 116 1.641 -7.199 -4.304 1.00 0.21 H new ATOM 0 HD2 PHE A 116 1.882 -2.916 -4.062 1.00 0.15 H new ATOM 0 HE1 PHE A 116 0.219 -7.233 -2.271 1.00 0.24 H new ATOM 0 HE2 PHE A 116 0.462 -2.952 -2.028 1.00 0.16 H new ATOM 0 HZ PHE A 116 -0.372 -5.110 -1.136 1.00 0.19 H new ATOM 1861 N LEU A 117 1.623 -2.595 -6.727 1.00 0.19 N ATOM 1862 CA LEU A 117 0.859 -1.316 -6.729 1.00 0.16 C ATOM 1863 C LEU A 117 -0.014 -1.248 -7.984 1.00 0.27 C ATOM 1864 O LEU A 117 -0.946 -0.473 -8.061 1.00 0.44 O ATOM 1865 CB LEU A 117 1.838 -0.137 -6.725 1.00 0.24 C ATOM 1866 CG LEU A 117 2.572 -0.071 -5.379 1.00 0.64 C ATOM 1867 CD1 LEU A 117 3.641 1.021 -5.437 1.00 0.46 C ATOM 1868 CD2 LEU A 117 1.584 0.250 -4.250 1.00 1.09 C ATOM 0 H LEU A 117 2.636 -2.495 -6.666 1.00 0.19 H new ATOM 0 HA LEU A 117 0.227 -1.267 -5.842 1.00 0.16 H new ATOM 0 HB2 LEU A 117 2.558 -0.248 -7.536 1.00 0.24 H new ATOM 0 HB3 LEU A 117 1.300 0.794 -6.901 1.00 0.24 H new ATOM 0 HG LEU A 117 3.037 -1.037 -5.182 1.00 0.64 H new ATOM 0 HD11 LEU A 117 4.164 1.070 -4.482 1.00 0.46 H new ATOM 0 HD12 LEU A 117 4.353 0.791 -6.229 1.00 0.46 H new ATOM 0 HD13 LEU A 117 3.169 1.982 -5.642 1.00 0.46 H new ATOM 0 HD21 LEU A 117 2.118 0.294 -3.301 1.00 1.09 H new ATOM 0 HD22 LEU A 117 1.110 1.212 -4.444 1.00 1.09 H new ATOM 0 HD23 LEU A 117 0.822 -0.527 -4.202 1.00 1.09 H new ATOM 1880 N GLU A 118 0.282 -2.052 -8.968 1.00 0.31 N ATOM 1881 CA GLU A 118 -0.532 -2.032 -10.217 1.00 0.42 C ATOM 1882 C GLU A 118 -1.847 -2.777 -9.980 1.00 0.33 C ATOM 1883 O GLU A 118 -2.917 -2.204 -10.037 1.00 0.41 O ATOM 1884 CB GLU A 118 0.246 -2.712 -11.345 1.00 0.53 C ATOM 1885 CG GLU A 118 -0.242 -2.180 -12.694 1.00 0.73 C ATOM 1886 CD GLU A 118 0.534 -2.863 -13.823 1.00 1.68 C ATOM 1887 OE1 GLU A 118 1.752 -2.792 -13.804 1.00 2.70 O ATOM 1888 OE2 GLU A 118 -0.103 -3.445 -14.685 1.00 2.23 O ATOM 0 H GLU A 118 1.052 -2.721 -8.962 1.00 0.31 H new ATOM 0 HA GLU A 118 -0.745 -1.000 -10.496 1.00 0.42 H new ATOM 0 HB2 GLU A 118 1.313 -2.521 -11.231 1.00 0.53 H new ATOM 0 HB3 GLU A 118 0.108 -3.792 -11.297 1.00 0.53 H new ATOM 0 HG2 GLU A 118 -1.310 -2.368 -12.807 1.00 0.73 H new ATOM 0 HG3 GLU A 118 -0.102 -1.100 -12.743 1.00 0.73 H new ATOM 1895 N ARG A 119 -1.777 -4.054 -9.717 1.00 0.22 N ATOM 1896 CA ARG A 119 -3.024 -4.834 -9.478 1.00 0.17 C ATOM 1897 C ARG A 119 -3.753 -4.270 -8.256 1.00 0.18 C ATOM 1898 O ARG A 119 -4.957 -4.374 -8.138 1.00 0.16 O ATOM 1899 CB ARG A 119 -2.669 -6.302 -9.228 1.00 0.17 C ATOM 1900 CG ARG A 119 -1.731 -6.404 -8.023 1.00 0.22 C ATOM 1901 CD ARG A 119 -1.081 -7.789 -7.997 1.00 0.38 C ATOM 1902 NE ARG A 119 -1.968 -8.768 -8.685 1.00 0.72 N ATOM 1903 CZ ARG A 119 -1.499 -9.930 -9.048 1.00 0.91 C ATOM 1904 NH1 ARG A 119 -0.254 -10.236 -8.808 1.00 0.83 N ATOM 1905 NH2 ARG A 119 -2.276 -10.788 -9.651 1.00 1.26 N ATOM 0 H ARG A 119 -0.911 -4.590 -9.657 1.00 0.22 H new ATOM 0 HA ARG A 119 -3.671 -4.761 -10.352 1.00 0.17 H new ATOM 0 HB2 ARG A 119 -3.575 -6.880 -9.047 1.00 0.17 H new ATOM 0 HB3 ARG A 119 -2.191 -6.727 -10.111 1.00 0.17 H new ATOM 0 HG2 ARG A 119 -0.964 -5.632 -8.080 1.00 0.22 H new ATOM 0 HG3 ARG A 119 -2.287 -6.234 -7.101 1.00 0.22 H new ATOM 0 HD2 ARG A 119 -0.109 -7.755 -8.489 1.00 0.38 H new ATOM 0 HD3 ARG A 119 -0.907 -8.101 -6.967 1.00 0.38 H new ATOM 0 HE ARG A 119 -2.942 -8.530 -8.872 1.00 0.72 H new ATOM 0 HH11 ARG A 119 0.354 -9.567 -8.336 1.00 0.83 H new ATOM 0 HH12 ARG A 119 0.112 -11.145 -9.092 1.00 0.83 H new ATOM 0 HH21 ARG A 119 -3.250 -10.550 -9.838 1.00 1.26 H new ATOM 0 HH22 ARG A 119 -1.909 -11.696 -9.935 1.00 1.26 H new ATOM 1919 N LEU A 120 -3.032 -3.673 -7.347 1.00 0.22 N ATOM 1920 CA LEU A 120 -3.685 -3.101 -6.136 1.00 0.23 C ATOM 1921 C LEU A 120 -4.597 -1.947 -6.554 1.00 0.20 C ATOM 1922 O LEU A 120 -5.790 -1.968 -6.318 1.00 0.18 O ATOM 1923 CB LEU A 120 -2.609 -2.586 -5.175 1.00 0.28 C ATOM 1924 CG LEU A 120 -3.183 -2.473 -3.757 1.00 0.31 C ATOM 1925 CD1 LEU A 120 -2.071 -2.064 -2.790 1.00 0.36 C ATOM 1926 CD2 LEU A 120 -4.295 -1.418 -3.722 1.00 0.28 C ATOM 0 H LEU A 120 -2.020 -3.557 -7.391 1.00 0.22 H new ATOM 0 HA LEU A 120 -4.276 -3.869 -5.638 1.00 0.23 H new ATOM 0 HB2 LEU A 120 -1.754 -3.262 -5.177 1.00 0.28 H new ATOM 0 HB3 LEU A 120 -2.247 -1.613 -5.508 1.00 0.28 H new ATOM 0 HG LEU A 120 -3.595 -3.438 -3.462 1.00 0.31 H new ATOM 0 HD11 LEU A 120 -2.477 -1.983 -1.782 1.00 0.36 H new ATOM 0 HD12 LEU A 120 -1.282 -2.816 -2.804 1.00 0.36 H new ATOM 0 HD13 LEU A 120 -1.660 -1.101 -3.094 1.00 0.36 H new ATOM 0 HD21 LEU A 120 -4.696 -1.345 -2.711 1.00 0.28 H new ATOM 0 HD22 LEU A 120 -3.889 -0.452 -4.022 1.00 0.28 H new ATOM 0 HD23 LEU A 120 -5.091 -1.706 -4.408 1.00 0.28 H new ATOM 1938 N LYS A 121 -4.048 -0.939 -7.175 1.00 0.21 N ATOM 1939 CA LYS A 121 -4.886 0.215 -7.607 1.00 0.19 C ATOM 1940 C LYS A 121 -6.111 -0.302 -8.365 1.00 0.13 C ATOM 1941 O LYS A 121 -7.224 0.124 -8.129 1.00 0.09 O ATOM 1942 CB LYS A 121 -4.066 1.126 -8.523 1.00 0.23 C ATOM 1943 CG LYS A 121 -4.791 2.464 -8.695 1.00 0.15 C ATOM 1944 CD LYS A 121 -3.986 3.363 -9.635 1.00 0.37 C ATOM 1945 CE LYS A 121 -4.490 3.184 -11.069 1.00 0.70 C ATOM 1946 NZ LYS A 121 -5.831 3.819 -11.208 1.00 2.16 N ATOM 0 H LYS A 121 -3.056 -0.865 -7.402 1.00 0.21 H new ATOM 0 HA LYS A 121 -5.210 0.778 -6.732 1.00 0.19 H new ATOM 0 HB2 LYS A 121 -3.075 1.289 -8.099 1.00 0.23 H new ATOM 0 HB3 LYS A 121 -3.923 0.650 -9.493 1.00 0.23 H new ATOM 0 HG2 LYS A 121 -5.790 2.299 -9.099 1.00 0.15 H new ATOM 0 HG3 LYS A 121 -4.915 2.950 -7.727 1.00 0.15 H new ATOM 0 HD2 LYS A 121 -4.084 4.405 -9.331 1.00 0.37 H new ATOM 0 HD3 LYS A 121 -2.927 3.112 -9.577 1.00 0.37 H new ATOM 0 HE2 LYS A 121 -3.788 3.634 -11.771 1.00 0.70 H new ATOM 0 HE3 LYS A 121 -4.551 2.124 -11.315 1.00 0.70 H new ATOM 0 HZ1 LYS A 121 -5.976 4.110 -12.196 1.00 2.16 H new ATOM 0 HZ2 LYS A 121 -6.568 3.137 -10.936 1.00 2.16 H new ATOM 0 HZ3 LYS A 121 -5.886 4.653 -10.589 1.00 2.16 H new ATOM 1960 N THR A 122 -5.914 -1.218 -9.273 1.00 0.15 N ATOM 1961 CA THR A 122 -7.067 -1.762 -10.043 1.00 0.10 C ATOM 1962 C THR A 122 -8.039 -2.451 -9.084 1.00 0.14 C ATOM 1963 O THR A 122 -9.223 -2.179 -9.083 1.00 0.14 O ATOM 1964 CB THR A 122 -6.561 -2.774 -11.074 1.00 0.13 C ATOM 1965 OG1 THR A 122 -5.554 -2.171 -11.874 1.00 0.35 O ATOM 1966 CG2 THR A 122 -7.722 -3.224 -11.963 1.00 0.21 C ATOM 0 H THR A 122 -5.005 -1.613 -9.515 1.00 0.15 H new ATOM 0 HA THR A 122 -7.579 -0.948 -10.556 1.00 0.10 H new ATOM 0 HB THR A 122 -6.145 -3.640 -10.559 1.00 0.13 H new ATOM 0 HG1 THR A 122 -4.700 -2.187 -11.393 1.00 0.35 H new ATOM 0 HG21 THR A 122 -7.360 -3.944 -12.697 1.00 0.21 H new ATOM 0 HG22 THR A 122 -8.493 -3.688 -11.348 1.00 0.21 H new ATOM 0 HG23 THR A 122 -8.141 -2.360 -12.479 1.00 0.21 H new ATOM 1974 N ILE A 123 -7.548 -3.342 -8.267 1.00 0.22 N ATOM 1975 CA ILE A 123 -8.444 -4.046 -7.308 1.00 0.29 C ATOM 1976 C ILE A 123 -9.330 -3.022 -6.597 1.00 0.27 C ATOM 1977 O ILE A 123 -10.515 -3.227 -6.420 1.00 0.33 O ATOM 1978 CB ILE A 123 -7.600 -4.796 -6.275 1.00 0.34 C ATOM 1979 CG1 ILE A 123 -7.121 -6.119 -6.874 1.00 0.33 C ATOM 1980 CG2 ILE A 123 -8.444 -5.075 -5.031 1.00 0.41 C ATOM 1981 CD1 ILE A 123 -6.039 -6.725 -5.978 1.00 0.34 C ATOM 0 H ILE A 123 -6.566 -3.613 -8.222 1.00 0.22 H new ATOM 0 HA ILE A 123 -9.069 -4.757 -7.848 1.00 0.29 H new ATOM 0 HB ILE A 123 -6.738 -4.188 -5.999 1.00 0.34 H new ATOM 0 HG12 ILE A 123 -7.958 -6.811 -6.970 1.00 0.33 H new ATOM 0 HG13 ILE A 123 -6.727 -5.954 -7.877 1.00 0.33 H new ATOM 0 HG21 ILE A 123 -7.842 -5.609 -4.296 1.00 0.41 H new ATOM 0 HG22 ILE A 123 -8.786 -4.132 -4.604 1.00 0.41 H new ATOM 0 HG23 ILE A 123 -9.306 -5.683 -5.305 1.00 0.41 H new ATOM 0 HD11 ILE A 123 -5.698 -7.668 -6.406 1.00 0.34 H new ATOM 0 HD12 ILE A 123 -5.198 -6.035 -5.905 1.00 0.34 H new ATOM 0 HD13 ILE A 123 -6.448 -6.905 -4.984 1.00 0.34 H new ATOM 1993 N MET A 124 -8.767 -1.918 -6.188 1.00 0.20 N ATOM 1994 CA MET A 124 -9.577 -0.881 -5.492 1.00 0.21 C ATOM 1995 C MET A 124 -10.739 -0.457 -6.391 1.00 0.27 C ATOM 1996 O MET A 124 -11.893 -0.587 -6.033 1.00 0.37 O ATOM 1997 CB MET A 124 -8.699 0.334 -5.186 1.00 0.18 C ATOM 1998 CG MET A 124 -7.532 -0.091 -4.293 1.00 0.64 C ATOM 1999 SD MET A 124 -7.395 1.051 -2.895 1.00 1.17 S ATOM 2000 CE MET A 124 -8.744 0.361 -1.906 1.00 1.14 C ATOM 0 H MET A 124 -7.780 -1.690 -6.306 1.00 0.20 H new ATOM 0 HA MET A 124 -9.967 -1.289 -4.560 1.00 0.21 H new ATOM 0 HB2 MET A 124 -8.323 0.767 -6.113 1.00 0.18 H new ATOM 0 HB3 MET A 124 -9.288 1.106 -4.690 1.00 0.18 H new ATOM 0 HG2 MET A 124 -7.688 -1.108 -3.932 1.00 0.64 H new ATOM 0 HG3 MET A 124 -6.605 -0.095 -4.866 1.00 0.64 H new ATOM 0 HE1 MET A 124 -8.840 0.925 -0.978 1.00 1.14 H new ATOM 0 HE2 MET A 124 -9.676 0.424 -2.468 1.00 1.14 H new ATOM 0 HE3 MET A 124 -8.529 -0.683 -1.676 1.00 1.14 H new ATOM 2010 N ARG A 125 -10.445 0.047 -7.558 1.00 0.24 N ATOM 2011 CA ARG A 125 -11.534 0.476 -8.480 1.00 0.33 C ATOM 2012 C ARG A 125 -12.587 -0.631 -8.572 1.00 0.34 C ATOM 2013 O ARG A 125 -13.755 -0.375 -8.785 1.00 0.41 O ATOM 2014 CB ARG A 125 -10.952 0.741 -9.871 1.00 0.45 C ATOM 2015 CG ARG A 125 -11.819 1.769 -10.600 1.00 1.61 C ATOM 2016 CD ARG A 125 -11.312 3.178 -10.288 1.00 1.38 C ATOM 2017 NE ARG A 125 -12.358 4.174 -10.654 1.00 2.29 N ATOM 2018 CZ ARG A 125 -12.277 5.399 -10.209 1.00 2.95 C ATOM 2019 NH1 ARG A 125 -11.279 5.751 -9.445 1.00 2.96 N ATOM 2020 NH2 ARG A 125 -13.193 6.271 -10.529 1.00 3.80 N ATOM 0 H ARG A 125 -9.498 0.180 -7.913 1.00 0.24 H new ATOM 0 HA ARG A 125 -11.994 1.388 -8.099 1.00 0.33 H new ATOM 0 HB2 ARG A 125 -9.929 1.108 -9.785 1.00 0.45 H new ATOM 0 HB3 ARG A 125 -10.911 -0.186 -10.442 1.00 0.45 H new ATOM 0 HG2 ARG A 125 -11.788 1.590 -11.675 1.00 1.61 H new ATOM 0 HG3 ARG A 125 -12.859 1.668 -10.290 1.00 1.61 H new ATOM 0 HD2 ARG A 125 -11.069 3.262 -9.229 1.00 1.38 H new ATOM 0 HD3 ARG A 125 -10.395 3.377 -10.842 1.00 1.38 H new ATOM 0 HE ARG A 125 -13.137 3.899 -11.252 1.00 2.29 H new ATOM 0 HH11 ARG A 125 -10.562 5.069 -9.196 1.00 2.96 H new ATOM 0 HH12 ARG A 125 -11.216 6.708 -9.097 1.00 2.96 H new ATOM 0 HH21 ARG A 125 -13.972 5.996 -11.127 1.00 3.80 H new ATOM 0 HH22 ARG A 125 -13.130 7.228 -10.181 1.00 3.80 H new ATOM 2034 N GLU A 126 -12.182 -1.861 -8.410 1.00 0.33 N ATOM 2035 CA GLU A 126 -13.157 -2.984 -8.485 1.00 0.38 C ATOM 2036 C GLU A 126 -13.975 -3.034 -7.194 1.00 0.48 C ATOM 2037 O GLU A 126 -15.191 -3.052 -7.217 1.00 0.61 O ATOM 2038 CB GLU A 126 -12.404 -4.303 -8.664 1.00 0.34 C ATOM 2039 CG GLU A 126 -13.138 -5.177 -9.684 1.00 0.30 C ATOM 2040 CD GLU A 126 -12.407 -6.513 -9.832 1.00 0.90 C ATOM 2041 OE1 GLU A 126 -12.003 -7.060 -8.819 1.00 1.55 O ATOM 2042 OE2 GLU A 126 -12.264 -6.966 -10.955 1.00 1.66 O ATOM 0 H GLU A 126 -11.217 -2.136 -8.229 1.00 0.33 H new ATOM 0 HA GLU A 126 -13.825 -2.830 -9.333 1.00 0.38 H new ATOM 0 HB2 GLU A 126 -11.386 -4.110 -9.001 1.00 0.34 H new ATOM 0 HB3 GLU A 126 -12.330 -4.824 -7.709 1.00 0.34 H new ATOM 0 HG2 GLU A 126 -14.165 -5.346 -9.361 1.00 0.30 H new ATOM 0 HG3 GLU A 126 -13.186 -4.668 -10.647 1.00 0.30 H new ATOM 2049 N LYS A 127 -13.319 -3.054 -6.067 1.00 0.49 N ATOM 2050 CA LYS A 127 -14.060 -3.101 -4.774 1.00 0.65 C ATOM 2051 C LYS A 127 -14.485 -1.686 -4.380 1.00 0.77 C ATOM 2052 O LYS A 127 -15.029 -1.463 -3.317 1.00 1.15 O ATOM 2053 CB LYS A 127 -13.153 -3.682 -3.687 1.00 0.75 C ATOM 2054 CG LYS A 127 -12.585 -5.022 -4.157 1.00 0.66 C ATOM 2055 CD LYS A 127 -12.178 -5.858 -2.942 1.00 0.82 C ATOM 2056 CE LYS A 127 -11.287 -7.017 -3.393 1.00 1.07 C ATOM 2057 NZ LYS A 127 -11.523 -7.291 -4.839 1.00 1.85 N ATOM 0 H LYS A 127 -12.302 -3.040 -5.985 1.00 0.49 H new ATOM 0 HA LYS A 127 -14.944 -3.729 -4.884 1.00 0.65 H new ATOM 0 HB2 LYS A 127 -12.341 -2.988 -3.467 1.00 0.75 H new ATOM 0 HB3 LYS A 127 -13.716 -3.818 -2.763 1.00 0.75 H new ATOM 0 HG2 LYS A 127 -13.329 -5.557 -4.747 1.00 0.66 H new ATOM 0 HG3 LYS A 127 -11.723 -4.857 -4.804 1.00 0.66 H new ATOM 0 HD2 LYS A 127 -11.647 -5.236 -2.221 1.00 0.82 H new ATOM 0 HD3 LYS A 127 -13.065 -6.242 -2.438 1.00 0.82 H new ATOM 0 HE2 LYS A 127 -10.239 -6.771 -3.225 1.00 1.07 H new ATOM 0 HE3 LYS A 127 -11.504 -7.907 -2.803 1.00 1.07 H new ATOM 0 HZ1 LYS A 127 -11.023 -8.160 -5.114 1.00 1.85 H new ATOM 0 HZ2 LYS A 127 -12.542 -7.410 -5.008 1.00 1.85 H new ATOM 0 HZ3 LYS A 127 -11.169 -6.494 -5.406 1.00 1.85 H new ATOM 2071 N TYR A 128 -14.239 -0.725 -5.229 1.00 0.49 N ATOM 2072 CA TYR A 128 -14.628 0.676 -4.904 1.00 0.57 C ATOM 2073 C TYR A 128 -16.149 0.818 -5.001 1.00 0.86 C ATOM 2074 O TYR A 128 -16.676 1.910 -5.076 1.00 0.80 O ATOM 2075 CB TYR A 128 -13.959 1.633 -5.893 1.00 0.38 C ATOM 2076 CG TYR A 128 -14.370 3.053 -5.580 1.00 0.37 C ATOM 2077 CD1 TYR A 128 -13.978 3.643 -4.372 1.00 0.32 C ATOM 2078 CD2 TYR A 128 -15.140 3.780 -6.496 1.00 0.42 C ATOM 2079 CE1 TYR A 128 -14.355 4.959 -4.081 1.00 0.33 C ATOM 2080 CE2 TYR A 128 -15.518 5.096 -6.203 1.00 0.42 C ATOM 2081 CZ TYR A 128 -15.125 5.685 -4.996 1.00 0.38 C ATOM 2082 OH TYR A 128 -15.497 6.983 -4.708 1.00 0.39 O ATOM 0 H TYR A 128 -13.785 -0.850 -6.134 1.00 0.49 H new ATOM 0 HA TYR A 128 -14.306 0.918 -3.891 1.00 0.57 H new ATOM 0 HB2 TYR A 128 -12.875 1.536 -5.832 1.00 0.38 H new ATOM 0 HB3 TYR A 128 -14.246 1.377 -6.913 1.00 0.38 H new ATOM 0 HD1 TYR A 128 -13.385 3.082 -3.665 1.00 0.32 H new ATOM 0 HD2 TYR A 128 -15.442 3.326 -7.428 1.00 0.42 H new ATOM 0 HE1 TYR A 128 -14.051 5.414 -3.150 1.00 0.33 H new ATOM 0 HE2 TYR A 128 -16.113 5.657 -6.909 1.00 0.42 H new ATOM 0 HH TYR A 128 -16.028 7.343 -5.449 1.00 0.39 H new ATOM 2092 N SER A 129 -16.857 -0.277 -4.999 1.00 1.29 N ATOM 2093 CA SER A 129 -18.342 -0.204 -5.090 1.00 1.73 C ATOM 2094 C SER A 129 -18.890 0.542 -3.871 1.00 1.83 C ATOM 2095 O SER A 129 -18.356 0.449 -2.784 1.00 2.64 O ATOM 2096 CB SER A 129 -18.920 -1.619 -5.126 1.00 2.46 C ATOM 2097 OG SER A 129 -17.875 -2.559 -4.917 1.00 2.99 O ATOM 0 H SER A 129 -16.471 -1.219 -4.938 1.00 1.29 H new ATOM 0 HA SER A 129 -18.626 0.327 -5.999 1.00 1.73 H new ATOM 0 HB2 SER A 129 -19.685 -1.731 -4.357 1.00 2.46 H new ATOM 0 HB3 SER A 129 -19.403 -1.802 -6.086 1.00 2.46 H new ATOM 0 HG SER A 129 -18.243 -3.467 -4.938 1.00 2.99 H new ATOM 2103 N LYS A 130 -19.953 1.279 -4.044 1.00 1.33 N ATOM 2104 CA LYS A 130 -20.534 2.028 -2.895 1.00 1.51 C ATOM 2105 C LYS A 130 -21.878 2.632 -3.306 1.00 1.36 C ATOM 2106 O LYS A 130 -22.562 2.117 -4.169 1.00 1.53 O ATOM 2107 CB LYS A 130 -19.577 3.149 -2.482 1.00 1.44 C ATOM 2108 CG LYS A 130 -19.406 4.128 -3.645 1.00 1.16 C ATOM 2109 CD LYS A 130 -18.274 5.108 -3.327 1.00 1.86 C ATOM 2110 CE LYS A 130 -18.509 6.420 -4.077 1.00 2.46 C ATOM 2111 NZ LYS A 130 -19.795 7.026 -3.630 1.00 4.24 N ATOM 0 H LYS A 130 -20.444 1.395 -4.931 1.00 1.33 H new ATOM 0 HA LYS A 130 -20.683 1.348 -2.056 1.00 1.51 H new ATOM 0 HB2 LYS A 130 -19.967 3.671 -1.608 1.00 1.44 H new ATOM 0 HB3 LYS A 130 -18.611 2.731 -2.199 1.00 1.44 H new ATOM 0 HG2 LYS A 130 -19.183 3.583 -4.562 1.00 1.16 H new ATOM 0 HG3 LYS A 130 -20.335 4.672 -3.815 1.00 1.16 H new ATOM 0 HD2 LYS A 130 -18.230 5.293 -2.254 1.00 1.86 H new ATOM 0 HD3 LYS A 130 -17.315 4.678 -3.616 1.00 1.86 H new ATOM 0 HE2 LYS A 130 -17.686 7.110 -3.891 1.00 2.46 H new ATOM 0 HE3 LYS A 130 -18.535 6.237 -5.151 1.00 2.46 H new ATOM 0 HZ1 LYS A 130 -20.454 7.073 -4.433 1.00 4.24 H new ATOM 0 HZ2 LYS A 130 -20.210 6.443 -2.875 1.00 4.24 H new ATOM 0 HZ3 LYS A 130 -19.620 7.986 -3.269 1.00 4.24 H new ATOM 2125 N CYS A 131 -22.262 3.720 -2.697 1.00 1.26 N ATOM 2126 CA CYS A 131 -23.562 4.355 -3.054 1.00 1.40 C ATOM 2127 C CYS A 131 -23.663 4.485 -4.575 1.00 1.82 C ATOM 2128 O CYS A 131 -24.724 4.724 -5.118 1.00 2.43 O ATOM 2129 CB CYS A 131 -23.644 5.743 -2.417 1.00 0.94 C ATOM 2130 SG CYS A 131 -22.557 5.809 -0.972 1.00 1.84 S ATOM 0 H CYS A 131 -21.732 4.197 -1.968 1.00 1.26 H new ATOM 0 HA CYS A 131 -24.382 3.738 -2.686 1.00 1.40 H new ATOM 0 HB2 CYS A 131 -23.352 6.504 -3.140 1.00 0.94 H new ATOM 0 HB3 CYS A 131 -24.671 5.960 -2.123 1.00 0.94 H new ATOM 2135 N SER A 132 -22.568 4.328 -5.268 1.00 1.70 N ATOM 2136 CA SER A 132 -22.603 4.443 -6.753 1.00 2.41 C ATOM 2137 C SER A 132 -22.945 3.082 -7.362 1.00 3.07 C ATOM 2138 O SER A 132 -22.445 2.716 -8.407 1.00 3.02 O ATOM 2139 CB SER A 132 -21.235 4.899 -7.260 1.00 2.36 C ATOM 2140 OG SER A 132 -21.281 5.039 -8.674 1.00 3.40 O ATOM 0 H SER A 132 -21.651 4.125 -4.870 1.00 1.70 H new ATOM 0 HA SER A 132 -23.360 5.171 -7.044 1.00 2.41 H new ATOM 0 HB2 SER A 132 -20.961 5.847 -6.798 1.00 2.36 H new ATOM 0 HB3 SER A 132 -20.470 4.175 -6.979 1.00 2.36 H new ATOM 0 HG SER A 132 -21.641 4.219 -9.072 1.00 3.40 H new ATOM 2146 N SER A 133 -23.793 2.329 -6.717 1.00 3.96 N ATOM 2147 CA SER A 133 -24.166 0.993 -7.259 1.00 4.76 C ATOM 2148 C SER A 133 -25.421 1.125 -8.124 1.00 5.88 C ATOM 2149 O SER A 133 -25.988 2.204 -8.149 1.00 5.97 O ATOM 2150 CB SER A 133 -24.443 0.032 -6.102 1.00 5.50 C ATOM 2151 OG SER A 133 -24.388 -1.306 -6.579 1.00 5.91 O ATOM 2152 OXT SER A 133 -25.792 0.144 -8.747 1.00 6.82 O ATOM 0 H SER A 133 -24.244 2.582 -5.838 1.00 3.96 H new ATOM 0 HA SER A 133 -23.347 0.606 -7.865 1.00 4.76 H new ATOM 0 HB2 SER A 133 -23.709 0.178 -5.309 1.00 5.50 H new ATOM 0 HB3 SER A 133 -25.423 0.237 -5.671 1.00 5.50 H new ATOM 0 HG SER A 133 -24.775 -1.349 -7.478 1.00 5.91 H new TER 2158 SER A 133