USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 100 LYS NZ :NH3+ -156:sc= 1.65 (180deg=-0.322) USER MOD Set 1.2: A 102 THR OG1 : rot -76:sc= 2.25 USER MOD Set 1.3: A 103 ASN : amide:sc= 2.18 K(o=6.1,f=-3.2) USER MOD Set 2.1: A 49 THR OG1 : rot -176:sc= 1.75 USER MOD Set 2.2: A 52 ASN : amide:sc= 0.836 K(o=5.8,f=-5.4!) USER MOD Set 2.3: A 53 LYS NZ :NH3+ 151:sc= 2.75 (180deg=-1.64!) USER MOD Set 2.4: A 78 THR OG1 : rot -49:sc= 0.433 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 148:sc= 1.26 (180deg=-0.00837) USER MOD Set 3.2: A 42 GLN : amide:sc= 1.72 K(o=3,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -151:sc= 0.766 (180deg=-0.727) USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= 2.17 (180deg=1.59) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.06) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0.713 (180deg=0.356) USER MOD Single : A 12 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.14) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= 0.0293 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 1.18 K(o=1.2,f=-0.044) USER MOD Single : A 19 THR OG1 : rot 19:sc= 0.907 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.818) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.676 K(o=-0.68,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 31 ASN : amide:sc= 0.751 K(o=0.75,f=-0.093) USER MOD Single : A 33 HIS : no HE2:sc= -1.3! C(o=-1.3!,f=-10!) USER MOD Single : A 40 THR OG1 : rot 165:sc= 1.45 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 1.95 K(o=1.9,f=-5.7!) USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 58 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 60 LYS NZ :NH3+ -130:sc= 1.17 (180deg=0.817) USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.0859 USER MOD Single : A 65 MET CE :methyl -111:sc= 0 (180deg=-0.174) USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 1.1 K(o=1.1,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 2.39 (180deg=1.89) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.13) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.245 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 169:sc= 0 (180deg=-0.188) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= 1.19 (180deg=1.06) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00559 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= 1.28 (180deg=-1.84!) USER MOD Single : A 105 HEC O2A : rot 166:sc= 0.894 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.283 1.091 -0.897 1.00 10.00 N ATOM 2 CA GLY A 1 1.811 1.969 0.180 1.00 10.00 C ATOM 3 C GLY A 1 1.255 1.164 1.343 1.00 10.00 C ATOM 4 O GLY A 1 2.027 0.490 2.015 1.00 10.00 O ATOM 0 H1 GLY A 1 3.056 1.559 -1.413 1.00 10.00 H new ATOM 0 H2 GLY A 1 2.628 0.198 -0.491 1.00 10.00 H new ATOM 0 H3 GLY A 1 1.500 0.893 -1.552 1.00 10.00 H new ATOM 0 HA2 GLY A 1 2.632 2.596 0.528 1.00 10.00 H new ATOM 0 HA3 GLY A 1 1.041 2.638 -0.204 1.00 10.00 H new ATOM 10 N ASP A 2 -0.051 1.267 1.609 1.00 10.00 N ATOM 11 CA ASP A 2 -0.613 1.229 2.963 1.00 10.00 C ATOM 12 C ASP A 2 -1.885 0.365 3.076 1.00 10.00 C ATOM 13 O ASP A 2 -2.637 0.206 2.117 1.00 10.00 O ATOM 14 CB ASP A 2 -0.933 2.680 3.367 1.00 10.00 C ATOM 15 CG ASP A 2 0.275 3.615 3.206 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.447 4.153 2.082 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.026 3.767 4.190 1.00 10.00 O ATOM 0 H ASP A 2 -0.756 1.381 0.881 1.00 10.00 H new ATOM 0 HA ASP A 2 0.120 0.769 3.626 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.758 3.050 2.758 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -1.268 2.700 4.404 1.00 10.00 H new ATOM 22 N VAL A 3 -2.162 -0.139 4.286 1.00 10.00 N ATOM 23 CA VAL A 3 -3.283 -1.042 4.619 1.00 10.00 C ATOM 24 C VAL A 3 -4.637 -0.409 4.276 1.00 10.00 C ATOM 25 O VAL A 3 -5.429 -0.958 3.506 1.00 10.00 O ATOM 26 CB VAL A 3 -3.217 -1.420 6.119 1.00 10.00 C ATOM 27 CG1 VAL A 3 -4.400 -2.278 6.593 1.00 10.00 C ATOM 28 CG2 VAL A 3 -1.923 -2.180 6.449 1.00 10.00 C ATOM 0 H VAL A 3 -1.587 0.079 5.100 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.188 -1.946 4.017 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.252 -0.466 6.645 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -4.285 -2.503 7.653 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -5.331 -1.732 6.437 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -4.425 -3.208 6.025 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.908 -2.430 7.510 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -1.878 -3.096 5.859 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -1.063 -1.554 6.212 1.00 10.00 H new ATOM 38 N GLU A 4 -4.903 0.773 4.827 1.00 10.00 N ATOM 39 CA GLU A 4 -6.157 1.507 4.688 1.00 10.00 C ATOM 40 C GLU A 4 -6.473 1.828 3.230 1.00 10.00 C ATOM 41 O GLU A 4 -7.640 1.842 2.836 1.00 10.00 O ATOM 42 CB GLU A 4 -6.086 2.843 5.441 1.00 10.00 C ATOM 43 CG GLU A 4 -5.790 2.744 6.946 1.00 10.00 C ATOM 44 CD GLU A 4 -4.293 2.870 7.276 1.00 10.00 C ATOM 45 OE1 GLU A 4 -3.497 2.107 6.677 1.00 10.00 O ATOM 46 OE2 GLU A 4 -3.963 3.737 8.112 1.00 10.00 O ATOM 0 H GLU A 4 -4.223 1.265 5.406 1.00 10.00 H new ATOM 0 HA GLU A 4 -6.935 0.864 5.100 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -5.316 3.460 4.978 1.00 10.00 H new ATOM 0 HB3 GLU A 4 -7.034 3.364 5.309 1.00 10.00 H new ATOM 0 HG2 GLU A 4 -6.339 3.526 7.470 1.00 10.00 H new ATOM 0 HG3 GLU A 4 -6.160 1.790 7.321 1.00 10.00 H new ATOM 53 N LYS A 5 -5.425 2.126 2.456 1.00 10.00 N ATOM 54 CA LYS A 5 -5.454 2.351 1.018 1.00 10.00 C ATOM 55 C LYS A 5 -5.538 1.070 0.169 1.00 10.00 C ATOM 56 O LYS A 5 -5.806 1.175 -1.023 1.00 10.00 O ATOM 57 CB LYS A 5 -4.258 3.235 0.648 1.00 10.00 C ATOM 58 CG LYS A 5 -4.364 4.578 1.392 1.00 10.00 C ATOM 59 CD LYS A 5 -3.556 5.726 0.780 1.00 10.00 C ATOM 60 CE LYS A 5 -2.065 5.638 1.104 1.00 10.00 C ATOM 61 NZ LYS A 5 -1.293 4.769 0.187 1.00 10.00 N ATOM 0 H LYS A 5 -4.486 2.220 2.842 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.385 2.863 0.775 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -3.326 2.734 0.911 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -4.236 3.404 -0.429 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -5.413 4.873 1.430 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.036 4.432 2.421 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.689 5.722 -0.302 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -3.947 6.675 1.146 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.640 6.641 1.079 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.948 5.267 2.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.402 4.488 0.643 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.850 3.920 -0.038 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.084 5.288 -0.690 1.00 10.00 H new ATOM 75 N GLY A 6 -5.397 -0.124 0.755 1.00 10.00 N ATOM 76 CA GLY A 6 -5.538 -1.395 0.028 1.00 10.00 C ATOM 77 C GLY A 6 -6.969 -1.909 0.047 1.00 10.00 C ATOM 78 O GLY A 6 -7.494 -2.328 -0.987 1.00 10.00 O ATOM 0 H GLY A 6 -5.182 -0.239 1.745 1.00 10.00 H new ATOM 0 HA2 GLY A 6 -5.216 -1.259 -1.004 1.00 10.00 H new ATOM 0 HA3 GLY A 6 -4.879 -2.141 0.472 1.00 10.00 H new ATOM 82 N LYS A 7 -7.653 -1.809 1.193 1.00 10.00 N ATOM 83 CA LYS A 7 -9.065 -2.198 1.285 1.00 10.00 C ATOM 84 C LYS A 7 -9.967 -1.428 0.304 1.00 10.00 C ATOM 85 O LYS A 7 -10.905 -2.008 -0.234 1.00 10.00 O ATOM 86 CB LYS A 7 -9.555 -2.135 2.742 1.00 10.00 C ATOM 87 CG LYS A 7 -9.604 -0.701 3.290 1.00 10.00 C ATOM 88 CD LYS A 7 -11.030 -0.164 3.493 1.00 10.00 C ATOM 89 CE LYS A 7 -11.103 1.372 3.463 1.00 10.00 C ATOM 90 NZ LYS A 7 -10.026 2.020 4.249 1.00 10.00 N ATOM 0 H LYS A 7 -7.254 -1.464 2.066 1.00 10.00 H new ATOM 0 HA LYS A 7 -9.139 -3.238 0.967 1.00 10.00 H new ATOM 0 HB2 LYS A 7 -10.549 -2.578 2.806 1.00 10.00 H new ATOM 0 HB3 LYS A 7 -8.897 -2.737 3.369 1.00 10.00 H new ATOM 0 HG2 LYS A 7 -9.074 -0.667 4.242 1.00 10.00 H new ATOM 0 HG3 LYS A 7 -9.071 -0.042 2.605 1.00 10.00 H new ATOM 0 HD2 LYS A 7 -11.679 -0.568 2.716 1.00 10.00 H new ATOM 0 HD3 LYS A 7 -11.415 -0.522 4.448 1.00 10.00 H new ATOM 0 HE2 LYS A 7 -11.046 1.713 2.429 1.00 10.00 H new ATOM 0 HE3 LYS A 7 -12.070 1.692 3.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 -10.204 3.043 4.304 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 -10.008 1.620 5.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 -9.110 1.852 3.786 1.00 10.00 H new ATOM 104 N LYS A 8 -9.658 -0.155 0.000 1.00 10.00 N ATOM 105 CA LYS A 8 -10.425 0.660 -0.964 1.00 10.00 C ATOM 106 C LYS A 8 -10.283 0.219 -2.421 1.00 10.00 C ATOM 107 O LYS A 8 -11.242 0.369 -3.171 1.00 10.00 O ATOM 108 CB LYS A 8 -10.183 2.176 -0.799 1.00 10.00 C ATOM 109 CG LYS A 8 -8.749 2.726 -0.912 1.00 10.00 C ATOM 110 CD LYS A 8 -8.108 2.763 -2.317 1.00 10.00 C ATOM 111 CE LYS A 8 -6.901 3.714 -2.310 1.00 10.00 C ATOM 112 NZ LYS A 8 -5.930 3.465 -3.403 1.00 10.00 N ATOM 0 H LYS A 8 -8.869 0.340 0.415 1.00 10.00 H new ATOM 0 HA LYS A 8 -11.466 0.468 -0.702 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -10.790 2.688 -1.545 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -10.569 2.465 0.179 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -8.746 3.741 -0.514 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -8.107 2.128 -0.265 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -7.793 1.762 -2.610 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -8.840 3.095 -3.053 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -7.260 4.741 -2.384 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -6.386 3.624 -1.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.259 4.258 -3.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -5.410 2.585 -3.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -6.439 3.377 -4.306 1.00 10.00 H new ATOM 126 N ILE A 9 -9.141 -0.358 -2.817 1.00 10.00 N ATOM 127 CA ILE A 9 -8.979 -0.932 -4.158 1.00 10.00 C ATOM 128 C ILE A 9 -9.483 -2.380 -4.182 1.00 10.00 C ATOM 129 O ILE A 9 -10.075 -2.807 -5.177 1.00 10.00 O ATOM 130 CB ILE A 9 -7.538 -0.742 -4.690 1.00 10.00 C ATOM 131 CG1 ILE A 9 -7.413 -1.107 -6.184 1.00 10.00 C ATOM 132 CG2 ILE A 9 -6.479 -1.514 -3.890 1.00 10.00 C ATOM 133 CD1 ILE A 9 -8.206 -0.196 -7.128 1.00 10.00 C ATOM 0 H ILE A 9 -8.314 -0.439 -2.226 1.00 10.00 H new ATOM 0 HA ILE A 9 -9.605 -0.385 -4.863 1.00 10.00 H new ATOM 0 HB ILE A 9 -7.340 0.322 -4.562 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -6.361 -1.074 -6.466 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -7.749 -2.135 -6.324 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -5.494 -1.333 -4.321 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -6.489 -1.177 -2.853 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -6.701 -2.581 -3.927 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -8.061 -0.524 -8.157 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -9.266 -0.246 -6.877 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -7.856 0.831 -7.022 1.00 10.00 H new ATOM 145 N PHE A 10 -9.372 -3.101 -3.054 1.00 10.00 N ATOM 146 CA PHE A 10 -10.017 -4.396 -2.892 1.00 10.00 C ATOM 147 C PHE A 10 -11.530 -4.291 -3.080 1.00 10.00 C ATOM 148 O PHE A 10 -12.105 -4.991 -3.911 1.00 10.00 O ATOM 149 CB PHE A 10 -9.647 -5.057 -1.560 1.00 10.00 C ATOM 150 CG PHE A 10 -10.092 -6.509 -1.501 1.00 10.00 C ATOM 151 CD1 PHE A 10 -11.387 -6.856 -1.066 1.00 10.00 C ATOM 152 CD2 PHE A 10 -9.202 -7.525 -1.886 1.00 10.00 C ATOM 153 CE1 PHE A 10 -11.792 -8.204 -1.059 1.00 10.00 C ATOM 154 CE2 PHE A 10 -9.606 -8.869 -1.881 1.00 10.00 C ATOM 155 CZ PHE A 10 -10.911 -9.209 -1.496 1.00 10.00 C ATOM 0 H PHE A 10 -8.836 -2.798 -2.241 1.00 10.00 H new ATOM 0 HA PHE A 10 -9.639 -5.049 -3.679 1.00 10.00 H new ATOM 0 HB2 PHE A 10 -8.568 -5.003 -1.416 1.00 10.00 H new ATOM 0 HB3 PHE A 10 -10.106 -4.504 -0.741 1.00 10.00 H new ATOM 0 HD1 PHE A 10 -12.070 -6.086 -0.738 1.00 10.00 H new ATOM 0 HD2 PHE A 10 -8.197 -7.270 -2.189 1.00 10.00 H new ATOM 0 HE1 PHE A 10 -12.782 -8.467 -0.717 1.00 10.00 H new ATOM 0 HE2 PHE A 10 -8.911 -9.642 -2.174 1.00 10.00 H new ATOM 0 HZ PHE A 10 -11.238 -10.238 -1.535 1.00 10.00 H new ATOM 165 N VAL A 11 -12.179 -3.368 -2.365 1.00 10.00 N ATOM 166 CA VAL A 11 -13.629 -3.176 -2.456 1.00 10.00 C ATOM 167 C VAL A 11 -14.091 -2.640 -3.829 1.00 10.00 C ATOM 168 O VAL A 11 -15.279 -2.671 -4.133 1.00 10.00 O ATOM 169 CB VAL A 11 -14.119 -2.329 -1.254 1.00 10.00 C ATOM 170 CG1 VAL A 11 -15.580 -1.859 -1.322 1.00 10.00 C ATOM 171 CG2 VAL A 11 -13.992 -3.150 0.040 1.00 10.00 C ATOM 0 H VAL A 11 -11.718 -2.736 -1.711 1.00 10.00 H new ATOM 0 HA VAL A 11 -14.108 -4.153 -2.390 1.00 10.00 H new ATOM 0 HB VAL A 11 -13.486 -1.442 -1.279 1.00 10.00 H new ATOM 0 HG11 VAL A 11 -15.816 -1.276 -0.432 1.00 10.00 H new ATOM 0 HG12 VAL A 11 -15.723 -1.242 -2.209 1.00 10.00 H new ATOM 0 HG13 VAL A 11 -16.239 -2.726 -1.373 1.00 10.00 H new ATOM 0 HG21 VAL A 11 -14.337 -2.554 0.885 1.00 10.00 H new ATOM 0 HG22 VAL A 11 -14.600 -4.051 -0.040 1.00 10.00 H new ATOM 0 HG23 VAL A 11 -12.949 -3.428 0.194 1.00 10.00 H new ATOM 181 N GLN A 12 -13.163 -2.220 -4.698 1.00 10.00 N ATOM 182 CA GLN A 12 -13.465 -1.711 -6.040 1.00 10.00 C ATOM 183 C GLN A 12 -13.652 -2.866 -7.029 1.00 10.00 C ATOM 184 O GLN A 12 -14.645 -2.910 -7.750 1.00 10.00 O ATOM 185 CB GLN A 12 -12.333 -0.780 -6.513 1.00 10.00 C ATOM 186 CG GLN A 12 -12.713 0.085 -7.725 1.00 10.00 C ATOM 187 CD GLN A 12 -13.709 1.185 -7.367 1.00 10.00 C ATOM 188 OE1 GLN A 12 -14.913 0.999 -7.397 1.00 10.00 O ATOM 189 NE2 GLN A 12 -13.248 2.372 -7.023 1.00 10.00 N ATOM 0 H GLN A 12 -12.166 -2.225 -4.484 1.00 10.00 H new ATOM 0 HA GLN A 12 -14.396 -1.146 -5.997 1.00 10.00 H new ATOM 0 HB2 GLN A 12 -12.042 -0.128 -5.689 1.00 10.00 H new ATOM 0 HB3 GLN A 12 -11.461 -1.382 -6.766 1.00 10.00 H new ATOM 0 HG2 GLN A 12 -11.813 0.536 -8.142 1.00 10.00 H new ATOM 0 HG3 GLN A 12 -13.141 -0.550 -8.501 1.00 10.00 H new ATOM 0 HE21 GLN A 12 -12.242 2.540 -6.994 1.00 10.00 H new ATOM 0 HE22 GLN A 12 -13.897 3.122 -6.786 1.00 10.00 H new ATOM 198 N LYS A 13 -12.675 -3.785 -7.083 1.00 10.00 N ATOM 199 CA LYS A 13 -12.629 -4.885 -8.050 1.00 10.00 C ATOM 200 C LYS A 13 -12.724 -6.248 -7.388 1.00 10.00 C ATOM 201 O LYS A 13 -13.583 -7.046 -7.740 1.00 10.00 O ATOM 202 CB LYS A 13 -11.385 -4.739 -8.935 1.00 10.00 C ATOM 203 CG LYS A 13 -11.450 -3.421 -9.724 1.00 10.00 C ATOM 204 CD LYS A 13 -10.386 -3.393 -10.817 1.00 10.00 C ATOM 205 CE LYS A 13 -10.605 -2.170 -11.713 1.00 10.00 C ATOM 206 NZ LYS A 13 -9.765 -2.222 -12.930 1.00 10.00 N ATOM 0 H LYS A 13 -11.881 -3.781 -6.442 1.00 10.00 H new ATOM 0 HA LYS A 13 -13.511 -4.821 -8.688 1.00 10.00 H new ATOM 0 HB2 LYS A 13 -10.486 -4.759 -8.319 1.00 10.00 H new ATOM 0 HB3 LYS A 13 -11.318 -5.581 -9.624 1.00 10.00 H new ATOM 0 HG2 LYS A 13 -12.438 -3.306 -10.169 1.00 10.00 H new ATOM 0 HG3 LYS A 13 -11.305 -2.579 -9.047 1.00 10.00 H new ATOM 0 HD2 LYS A 13 -9.392 -3.357 -10.371 1.00 10.00 H new ATOM 0 HD3 LYS A 13 -10.436 -4.306 -11.411 1.00 10.00 H new ATOM 0 HE2 LYS A 13 -11.655 -2.112 -11.999 1.00 10.00 H new ATOM 0 HE3 LYS A 13 -10.377 -1.263 -11.153 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 -9.034 -1.484 -12.879 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 -9.311 -3.155 -12.999 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 -10.359 -2.064 -13.769 1.00 10.00 H new ATOM 220 N CYS A 14 -11.875 -6.516 -6.405 1.00 10.00 N ATOM 221 CA CYS A 14 -11.800 -7.800 -5.725 1.00 10.00 C ATOM 222 C CYS A 14 -13.121 -8.189 -5.049 1.00 10.00 C ATOM 223 O CYS A 14 -13.568 -9.331 -5.167 1.00 10.00 O ATOM 224 CB CYS A 14 -10.688 -7.700 -4.694 1.00 10.00 C ATOM 225 SG CYS A 14 -9.132 -6.921 -5.238 1.00 10.00 S ATOM 0 H CYS A 14 -11.206 -5.832 -6.052 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.597 -8.581 -6.458 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.067 -7.141 -3.838 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.460 -8.706 -4.342 1.00 10.00 H new ATOM 230 N ALA A 15 -13.777 -7.234 -4.378 1.00 10.00 N ATOM 231 CA ALA A 15 -15.098 -7.452 -3.777 1.00 10.00 C ATOM 232 C ALA A 15 -16.217 -7.778 -4.785 1.00 10.00 C ATOM 233 O ALA A 15 -17.262 -8.268 -4.367 1.00 10.00 O ATOM 234 CB ALA A 15 -15.480 -6.264 -2.898 1.00 10.00 C ATOM 0 H ALA A 15 -13.409 -6.293 -4.237 1.00 10.00 H new ATOM 0 HA ALA A 15 -15.002 -8.349 -3.165 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -16.462 -6.438 -2.458 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -14.742 -6.147 -2.104 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -15.509 -5.358 -3.503 1.00 10.00 H new ATOM 240 N GLN A 16 -15.999 -7.602 -6.099 1.00 10.00 N ATOM 241 CA GLN A 16 -16.919 -8.074 -7.140 1.00 10.00 C ATOM 242 C GLN A 16 -16.985 -9.615 -7.207 1.00 10.00 C ATOM 243 O GLN A 16 -17.918 -10.149 -7.809 1.00 10.00 O ATOM 244 CB GLN A 16 -16.505 -7.452 -8.489 1.00 10.00 C ATOM 245 CG GLN A 16 -17.625 -7.362 -9.542 1.00 10.00 C ATOM 246 CD GLN A 16 -17.472 -8.358 -10.691 1.00 10.00 C ATOM 247 OE1 GLN A 16 -17.070 -8.010 -11.791 1.00 10.00 O ATOM 248 NE2 GLN A 16 -17.788 -9.619 -10.488 1.00 10.00 N ATOM 0 H GLN A 16 -15.176 -7.126 -6.467 1.00 10.00 H new ATOM 0 HA GLN A 16 -17.930 -7.750 -6.893 1.00 10.00 H new ATOM 0 HB2 GLN A 16 -16.120 -6.449 -8.305 1.00 10.00 H new ATOM 0 HB3 GLN A 16 -15.685 -8.037 -8.904 1.00 10.00 H new ATOM 0 HG2 GLN A 16 -18.585 -7.530 -9.053 1.00 10.00 H new ATOM 0 HG3 GLN A 16 -17.647 -6.351 -9.950 1.00 10.00 H new ATOM 0 HE21 GLN A 16 -18.125 -9.920 -9.573 1.00 10.00 H new ATOM 0 HE22 GLN A 16 -17.696 -10.296 -11.245 1.00 10.00 H new ATOM 257 N CYS A 17 -16.033 -10.327 -6.579 1.00 10.00 N ATOM 258 CA CYS A 17 -15.860 -11.774 -6.694 1.00 10.00 C ATOM 259 C CYS A 17 -15.427 -12.477 -5.389 1.00 10.00 C ATOM 260 O CYS A 17 -15.750 -13.654 -5.226 1.00 10.00 O ATOM 261 CB CYS A 17 -14.813 -12.017 -7.782 1.00 10.00 C ATOM 262 SG CYS A 17 -15.322 -11.596 -9.476 1.00 10.00 S ATOM 0 H CYS A 17 -15.347 -9.893 -5.962 1.00 10.00 H new ATOM 0 HA CYS A 17 -16.831 -12.205 -6.938 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -13.921 -11.441 -7.537 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -14.529 -13.069 -7.759 1.00 10.00 H new ATOM 267 N HIS A 18 -14.733 -11.782 -4.468 1.00 10.00 N ATOM 268 CA HIS A 18 -14.165 -12.342 -3.238 1.00 10.00 C ATOM 269 C HIS A 18 -14.881 -11.886 -1.947 1.00 10.00 C ATOM 270 O HIS A 18 -15.293 -12.735 -1.167 1.00 10.00 O ATOM 271 CB HIS A 18 -12.659 -12.027 -3.191 1.00 10.00 C ATOM 272 CG HIS A 18 -11.818 -12.769 -4.190 1.00 10.00 C ATOM 273 ND1 HIS A 18 -11.202 -13.972 -3.965 1.00 10.00 N ATOM 274 CD2 HIS A 18 -11.367 -12.295 -5.389 1.00 10.00 C ATOM 275 CE1 HIS A 18 -10.385 -14.207 -5.010 1.00 10.00 C ATOM 276 NE2 HIS A 18 -10.477 -13.236 -5.926 1.00 10.00 N ATOM 0 H HIS A 18 -14.549 -10.784 -4.568 1.00 10.00 H new ATOM 0 HA HIS A 18 -14.321 -13.420 -3.271 1.00 10.00 H new ATOM 0 HB2 HIS A 18 -12.523 -10.957 -3.349 1.00 10.00 H new ATOM 0 HB3 HIS A 18 -12.288 -12.251 -2.191 1.00 10.00 H new ATOM 0 HD1 HIS A 18 -11.337 -14.578 -3.156 1.00 10.00 H new ATOM 0 HD2 HIS A 18 -11.648 -11.357 -5.845 1.00 10.00 H new ATOM 0 HE1 HIS A 18 -9.739 -15.068 -5.097 1.00 10.00 H new ATOM 284 N THR A 19 -14.986 -10.570 -1.696 1.00 10.00 N ATOM 285 CA THR A 19 -15.557 -9.954 -0.472 1.00 10.00 C ATOM 286 C THR A 19 -15.085 -10.618 0.848 1.00 10.00 C ATOM 287 O THR A 19 -15.858 -10.994 1.734 1.00 10.00 O ATOM 288 CB THR A 19 -17.082 -9.718 -0.617 1.00 10.00 C ATOM 289 OG1 THR A 19 -17.660 -9.118 0.523 1.00 10.00 O ATOM 290 CG2 THR A 19 -17.895 -10.970 -0.954 1.00 10.00 C ATOM 0 H THR A 19 -14.663 -9.871 -2.365 1.00 10.00 H new ATOM 0 HA THR A 19 -15.131 -8.956 -0.375 1.00 10.00 H new ATOM 0 HB THR A 19 -17.136 -9.037 -1.467 1.00 10.00 H new ATOM 0 HG1 THR A 19 -16.959 -8.691 1.059 1.00 10.00 H new ATOM 0 HG21 THR A 19 -18.950 -10.708 -1.036 1.00 10.00 H new ATOM 0 HG22 THR A 19 -17.550 -11.384 -1.901 1.00 10.00 H new ATOM 0 HG23 THR A 19 -17.765 -11.711 -0.165 1.00 10.00 H new ATOM 298 N VAL A 20 -13.755 -10.720 1.007 1.00 10.00 N ATOM 299 CA VAL A 20 -13.113 -11.241 2.228 1.00 10.00 C ATOM 300 C VAL A 20 -13.366 -10.357 3.454 1.00 10.00 C ATOM 301 O VAL A 20 -13.454 -10.870 4.566 1.00 10.00 O ATOM 302 CB VAL A 20 -11.598 -11.444 2.016 1.00 10.00 C ATOM 303 CG1 VAL A 20 -10.780 -10.149 1.998 1.00 10.00 C ATOM 304 CG2 VAL A 20 -10.997 -12.372 3.083 1.00 10.00 C ATOM 0 H VAL A 20 -13.089 -10.441 0.287 1.00 10.00 H new ATOM 0 HA VAL A 20 -13.575 -12.208 2.428 1.00 10.00 H new ATOM 0 HB VAL A 20 -11.530 -11.894 1.026 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -9.727 -10.386 1.844 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -11.130 -9.509 1.188 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -10.900 -9.630 2.949 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -9.929 -12.491 2.901 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -11.151 -11.938 4.071 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -11.484 -13.346 3.035 1.00 10.00 H new ATOM 314 N GLU A 21 -13.569 -9.049 3.249 1.00 10.00 N ATOM 315 CA GLU A 21 -13.862 -8.036 4.276 1.00 10.00 C ATOM 316 C GLU A 21 -15.199 -8.242 5.024 1.00 10.00 C ATOM 317 O GLU A 21 -15.522 -7.460 5.916 1.00 10.00 O ATOM 318 CB GLU A 21 -13.690 -6.614 3.697 1.00 10.00 C ATOM 319 CG GLU A 21 -14.214 -6.367 2.272 1.00 10.00 C ATOM 320 CD GLU A 21 -15.721 -6.575 2.150 1.00 10.00 C ATOM 321 OE1 GLU A 21 -16.469 -5.741 2.713 1.00 10.00 O ATOM 322 OE2 GLU A 21 -16.117 -7.568 1.497 1.00 10.00 O ATOM 0 H GLU A 21 -13.532 -8.646 2.313 1.00 10.00 H new ATOM 0 HA GLU A 21 -13.120 -8.168 5.063 1.00 10.00 H new ATOM 0 HB2 GLU A 21 -14.190 -5.914 4.367 1.00 10.00 H new ATOM 0 HB3 GLU A 21 -12.628 -6.369 3.714 1.00 10.00 H new ATOM 0 HG2 GLU A 21 -13.967 -5.349 1.971 1.00 10.00 H new ATOM 0 HG3 GLU A 21 -13.703 -7.037 1.581 1.00 10.00 H new ATOM 329 N LYS A 22 -15.902 -9.352 4.744 1.00 10.00 N ATOM 330 CA LYS A 22 -17.071 -9.886 5.466 1.00 10.00 C ATOM 331 C LYS A 22 -17.140 -11.424 5.371 1.00 10.00 C ATOM 332 O LYS A 22 -18.175 -12.003 5.690 1.00 10.00 O ATOM 333 CB LYS A 22 -18.391 -9.294 4.911 1.00 10.00 C ATOM 334 CG LYS A 22 -18.372 -7.768 4.809 1.00 10.00 C ATOM 335 CD LYS A 22 -19.735 -7.130 4.516 1.00 10.00 C ATOM 336 CE LYS A 22 -19.636 -5.676 4.013 1.00 10.00 C ATOM 337 NZ LYS A 22 -18.376 -4.989 4.395 1.00 10.00 N ATOM 0 H LYS A 22 -15.651 -9.942 3.951 1.00 10.00 H new ATOM 0 HA LYS A 22 -16.952 -9.596 6.510 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -18.584 -9.715 3.924 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -19.217 -9.598 5.554 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -17.988 -7.359 5.744 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -17.674 -7.478 4.024 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -20.256 -7.730 3.770 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -20.341 -7.153 5.422 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -19.725 -5.671 2.927 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -20.480 -5.109 4.405 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -18.504 -3.960 4.316 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -18.131 -5.233 5.376 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -17.609 -5.292 3.761 1.00 10.00 H new ATOM 351 N GLY A 23 -16.058 -12.088 4.930 1.00 10.00 N ATOM 352 CA GLY A 23 -16.014 -13.530 4.649 1.00 10.00 C ATOM 353 C GLY A 23 -17.136 -13.991 3.712 1.00 10.00 C ATOM 354 O GLY A 23 -17.766 -15.015 3.967 1.00 10.00 O ATOM 0 H GLY A 23 -15.167 -11.623 4.755 1.00 10.00 H new ATOM 0 HA2 GLY A 23 -15.051 -13.779 4.204 1.00 10.00 H new ATOM 0 HA3 GLY A 23 -16.083 -14.080 5.588 1.00 10.00 H new ATOM 358 N GLY A 24 -17.444 -13.191 2.683 1.00 10.00 N ATOM 359 CA GLY A 24 -18.666 -13.328 1.902 1.00 10.00 C ATOM 360 C GLY A 24 -18.626 -14.439 0.849 1.00 10.00 C ATOM 361 O GLY A 24 -17.649 -15.166 0.677 1.00 10.00 O ATOM 0 H GLY A 24 -16.844 -12.427 2.372 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -19.497 -13.519 2.581 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -18.872 -12.380 1.404 1.00 10.00 H new ATOM 365 N LYS A 25 -19.753 -14.575 0.142 1.00 10.00 N ATOM 366 CA LYS A 25 -20.034 -15.660 -0.801 1.00 10.00 C ATOM 367 C LYS A 25 -18.980 -15.777 -1.917 1.00 10.00 C ATOM 368 O LYS A 25 -18.896 -14.934 -2.810 1.00 10.00 O ATOM 369 CB LYS A 25 -21.484 -15.544 -1.314 1.00 10.00 C ATOM 370 CG LYS A 25 -21.780 -14.336 -2.223 1.00 10.00 C ATOM 371 CD LYS A 25 -23.292 -14.097 -2.352 1.00 10.00 C ATOM 372 CE LYS A 25 -23.646 -13.247 -3.578 1.00 10.00 C ATOM 373 NZ LYS A 25 -23.038 -11.896 -3.560 1.00 10.00 N ATOM 0 H LYS A 25 -20.521 -13.908 0.214 1.00 10.00 H new ATOM 0 HA LYS A 25 -19.952 -16.609 -0.271 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -21.730 -16.455 -1.860 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -22.151 -15.499 -0.453 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -21.301 -13.445 -1.816 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -21.350 -14.506 -3.210 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -23.805 -15.057 -2.418 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -23.657 -13.602 -1.452 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -23.322 -13.770 -4.478 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -24.730 -13.148 -3.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -23.319 -11.378 -4.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -23.366 -11.379 -2.719 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -22.002 -11.982 -3.531 1.00 10.00 H new ATOM 387 N HIS A 26 -18.205 -16.867 -1.892 1.00 10.00 N ATOM 388 CA HIS A 26 -17.271 -17.302 -2.939 1.00 10.00 C ATOM 389 C HIS A 26 -18.012 -17.750 -4.222 1.00 10.00 C ATOM 390 O HIS A 26 -17.947 -18.907 -4.644 1.00 10.00 O ATOM 391 CB HIS A 26 -16.352 -18.403 -2.370 1.00 10.00 C ATOM 392 CG HIS A 26 -17.097 -19.461 -1.600 1.00 10.00 C ATOM 393 ND1 HIS A 26 -17.963 -20.379 -2.144 1.00 10.00 N ATOM 394 CD2 HIS A 26 -17.149 -19.583 -0.238 1.00 10.00 C ATOM 395 CE1 HIS A 26 -18.517 -21.063 -1.129 1.00 10.00 C ATOM 396 NE2 HIS A 26 -18.071 -20.592 0.046 1.00 10.00 N ATOM 0 H HIS A 26 -18.212 -17.506 -1.097 1.00 10.00 H new ATOM 0 HA HIS A 26 -16.651 -16.458 -3.241 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -15.810 -18.874 -3.190 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -15.608 -17.945 -1.718 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -18.151 -20.516 -3.137 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -16.584 -19.008 0.481 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -19.220 -21.875 -1.242 1.00 10.00 H new ATOM 404 N LYS A 27 -18.761 -16.820 -4.827 1.00 10.00 N ATOM 405 CA LYS A 27 -19.592 -17.016 -6.024 1.00 10.00 C ATOM 406 C LYS A 27 -18.789 -16.921 -7.328 1.00 10.00 C ATOM 407 O LYS A 27 -19.252 -17.381 -8.372 1.00 10.00 O ATOM 408 CB LYS A 27 -20.734 -15.979 -5.981 1.00 10.00 C ATOM 409 CG LYS A 27 -21.700 -16.053 -7.175 1.00 10.00 C ATOM 410 CD LYS A 27 -22.864 -15.067 -7.032 1.00 10.00 C ATOM 411 CE LYS A 27 -23.641 -14.995 -8.353 1.00 10.00 C ATOM 412 NZ LYS A 27 -24.732 -13.996 -8.290 1.00 10.00 N ATOM 0 H LYS A 27 -18.807 -15.862 -4.479 1.00 10.00 H new ATOM 0 HA LYS A 27 -19.998 -18.027 -6.015 1.00 10.00 H new ATOM 0 HB2 LYS A 27 -21.301 -16.118 -5.061 1.00 10.00 H new ATOM 0 HB3 LYS A 27 -20.301 -14.980 -5.941 1.00 10.00 H new ATOM 0 HG2 LYS A 27 -21.156 -15.841 -8.095 1.00 10.00 H new ATOM 0 HG3 LYS A 27 -22.092 -17.066 -7.262 1.00 10.00 H new ATOM 0 HD2 LYS A 27 -23.526 -15.384 -6.226 1.00 10.00 H new ATOM 0 HD3 LYS A 27 -22.487 -14.080 -6.766 1.00 10.00 H new ATOM 0 HE2 LYS A 27 -22.959 -14.739 -9.164 1.00 10.00 H new ATOM 0 HE3 LYS A 27 -24.057 -15.975 -8.585 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 -25.236 -13.974 -9.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 -25.396 -14.255 -7.533 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 -24.332 -13.057 -8.094 1.00 10.00 H new ATOM 426 N THR A 28 -17.605 -16.300 -7.315 1.00 10.00 N ATOM 427 CA THR A 28 -16.812 -16.081 -8.544 1.00 10.00 C ATOM 428 C THR A 28 -15.307 -15.962 -8.282 1.00 10.00 C ATOM 429 O THR A 28 -14.535 -16.232 -9.194 1.00 10.00 O ATOM 430 CB THR A 28 -17.333 -14.866 -9.348 1.00 10.00 C ATOM 431 OG1 THR A 28 -18.746 -14.859 -9.384 1.00 10.00 O ATOM 432 CG2 THR A 28 -16.903 -14.891 -10.817 1.00 10.00 C ATOM 0 H THR A 28 -17.168 -15.937 -6.468 1.00 10.00 H new ATOM 0 HA THR A 28 -16.949 -16.977 -9.149 1.00 10.00 H new ATOM 0 HB THR A 28 -16.916 -13.996 -8.840 1.00 10.00 H new ATOM 0 HG1 THR A 28 -19.056 -14.083 -9.895 1.00 10.00 H new ATOM 0 HG21 THR A 28 -17.299 -14.013 -11.327 1.00 10.00 H new ATOM 0 HG22 THR A 28 -15.815 -14.885 -10.878 1.00 10.00 H new ATOM 0 HG23 THR A 28 -17.288 -15.792 -11.294 1.00 10.00 H new ATOM 440 N GLY A 29 -14.870 -15.678 -7.049 1.00 10.00 N ATOM 441 CA GLY A 29 -13.530 -16.000 -6.558 1.00 10.00 C ATOM 442 C GLY A 29 -13.600 -16.746 -5.212 1.00 10.00 C ATOM 443 O GLY A 29 -14.641 -16.720 -4.554 1.00 10.00 O ATOM 0 H GLY A 29 -15.451 -15.209 -6.354 1.00 10.00 H new ATOM 0 HA2 GLY A 29 -13.008 -16.614 -7.292 1.00 10.00 H new ATOM 0 HA3 GLY A 29 -12.952 -15.083 -6.440 1.00 10.00 H new ATOM 447 N PRO A 30 -12.500 -17.372 -4.752 1.00 10.00 N ATOM 448 CA PRO A 30 -12.417 -18.235 -3.561 1.00 10.00 C ATOM 449 C PRO A 30 -12.604 -17.538 -2.195 1.00 10.00 C ATOM 450 O PRO A 30 -12.122 -18.044 -1.187 1.00 10.00 O ATOM 451 CB PRO A 30 -11.036 -18.916 -3.674 1.00 10.00 C ATOM 452 CG PRO A 30 -10.209 -17.962 -4.521 1.00 10.00 C ATOM 453 CD PRO A 30 -11.255 -17.441 -5.492 1.00 10.00 C ATOM 0 HA PRO A 30 -13.255 -18.932 -3.564 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -10.586 -19.067 -2.693 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -11.114 -19.897 -4.143 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -9.766 -17.163 -3.926 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -9.391 -18.470 -5.032 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -10.975 -16.459 -5.875 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -11.351 -18.103 -6.353 1.00 10.00 H new ATOM 461 N ASN A 31 -13.260 -16.373 -2.122 1.00 10.00 N ATOM 462 CA ASN A 31 -13.371 -15.445 -0.978 1.00 10.00 C ATOM 463 C ASN A 31 -12.074 -15.033 -0.254 1.00 10.00 C ATOM 464 O ASN A 31 -12.155 -14.324 0.740 1.00 10.00 O ATOM 465 CB ASN A 31 -14.532 -15.781 -0.012 1.00 10.00 C ATOM 466 CG ASN A 31 -14.225 -16.681 1.183 1.00 10.00 C ATOM 467 OD1 ASN A 31 -14.456 -16.328 2.328 1.00 10.00 O ATOM 468 ND2 ASN A 31 -13.710 -17.877 0.992 1.00 10.00 N ATOM 0 H ASN A 31 -13.773 -16.020 -2.930 1.00 10.00 H new ATOM 0 HA ASN A 31 -13.637 -14.520 -1.489 1.00 10.00 H new ATOM 0 HB2 ASN A 31 -14.933 -14.842 0.370 1.00 10.00 H new ATOM 0 HB3 ASN A 31 -15.325 -16.253 -0.592 1.00 10.00 H new ATOM 0 HD21 ASN A 31 -13.515 -18.482 1.790 1.00 10.00 H new ATOM 0 HD22 ASN A 31 -13.506 -18.199 0.046 1.00 10.00 H new ATOM 475 N LEU A 32 -10.883 -15.413 -0.747 1.00 10.00 N ATOM 476 CA LEU A 32 -9.542 -14.982 -0.303 1.00 10.00 C ATOM 477 C LEU A 32 -9.136 -15.525 1.085 1.00 10.00 C ATOM 478 O LEU A 32 -7.980 -15.888 1.283 1.00 10.00 O ATOM 479 CB LEU A 32 -9.442 -13.438 -0.373 1.00 10.00 C ATOM 480 CG LEU A 32 -8.130 -12.810 -0.867 1.00 10.00 C ATOM 481 CD1 LEU A 32 -6.892 -13.264 -0.097 1.00 10.00 C ATOM 482 CD2 LEU A 32 -7.917 -13.049 -2.358 1.00 10.00 C ATOM 0 H LEU A 32 -10.825 -16.076 -1.520 1.00 10.00 H new ATOM 0 HA LEU A 32 -8.820 -15.422 -0.991 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -10.244 -13.083 -1.020 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -9.641 -13.047 0.625 1.00 10.00 H new ATOM 0 HG LEU A 32 -8.249 -11.743 -0.679 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -6.009 -12.775 -0.508 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -6.999 -12.997 0.954 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -6.783 -14.345 -0.187 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -6.979 -12.590 -2.670 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -7.879 -14.121 -2.553 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -8.741 -12.607 -2.919 1.00 10.00 H new ATOM 494 N HIS A 33 -10.087 -15.679 2.014 1.00 10.00 N ATOM 495 CA HIS A 33 -10.061 -16.341 3.314 1.00 10.00 C ATOM 496 C HIS A 33 -8.711 -16.249 4.038 1.00 10.00 C ATOM 497 O HIS A 33 -8.025 -17.261 4.200 1.00 10.00 O ATOM 498 CB HIS A 33 -10.668 -17.752 3.209 1.00 10.00 C ATOM 499 CG HIS A 33 -10.088 -18.689 2.173 1.00 10.00 C ATOM 500 ND1 HIS A 33 -8.991 -18.481 1.370 1.00 10.00 N ATOM 501 CD2 HIS A 33 -10.554 -19.942 1.902 1.00 10.00 C ATOM 502 CE1 HIS A 33 -8.806 -19.576 0.616 1.00 10.00 C ATOM 503 NE2 HIS A 33 -9.718 -20.504 0.934 1.00 10.00 N ATOM 0 H HIS A 33 -11.013 -15.288 1.843 1.00 10.00 H new ATOM 0 HA HIS A 33 -10.709 -15.783 3.990 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -10.576 -18.231 4.184 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -11.734 -17.645 3.006 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -8.416 -17.639 1.351 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -11.414 -20.414 2.354 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -8.038 -19.691 -0.134 1.00 10.00 H new ATOM 511 N GLY A 34 -8.360 -15.021 4.460 1.00 10.00 N ATOM 512 CA GLY A 34 -7.166 -14.645 5.226 1.00 10.00 C ATOM 513 C GLY A 34 -5.942 -15.499 4.902 1.00 10.00 C ATOM 514 O GLY A 34 -5.557 -16.324 5.725 1.00 10.00 O ATOM 0 H GLY A 34 -8.947 -14.211 4.259 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.932 -13.599 5.029 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -7.386 -14.728 6.290 1.00 10.00 H new ATOM 518 N LEU A 35 -5.410 -15.357 3.680 1.00 10.00 N ATOM 519 CA LEU A 35 -4.457 -16.302 3.095 1.00 10.00 C ATOM 520 C LEU A 35 -3.069 -16.231 3.772 1.00 10.00 C ATOM 521 O LEU A 35 -2.860 -16.898 4.777 1.00 10.00 O ATOM 522 CB LEU A 35 -4.445 -16.130 1.555 1.00 10.00 C ATOM 523 CG LEU A 35 -4.303 -17.439 0.762 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.241 -18.387 1.328 1.00 10.00 C ATOM 525 CD2 LEU A 35 -5.620 -18.211 0.668 1.00 10.00 C ATOM 0 H LEU A 35 -5.634 -14.574 3.066 1.00 10.00 H new ATOM 0 HA LEU A 35 -4.781 -17.323 3.294 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -5.368 -15.636 1.251 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -3.624 -15.466 1.284 1.00 10.00 H new ATOM 0 HG LEU A 35 -3.990 -17.112 -0.229 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -3.196 -19.289 0.718 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -2.269 -17.893 1.317 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.501 -18.654 2.352 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -5.465 -19.127 0.098 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -5.967 -18.462 1.670 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -6.368 -17.595 0.168 1.00 10.00 H new ATOM 537 N PHE A 36 -2.127 -15.443 3.239 1.00 10.00 N ATOM 538 CA PHE A 36 -0.912 -14.928 3.887 1.00 10.00 C ATOM 539 C PHE A 36 -0.265 -15.870 4.918 1.00 10.00 C ATOM 540 O PHE A 36 -0.152 -15.558 6.102 1.00 10.00 O ATOM 541 CB PHE A 36 -1.209 -13.515 4.397 1.00 10.00 C ATOM 542 CG PHE A 36 -1.253 -12.516 3.262 1.00 10.00 C ATOM 543 CD1 PHE A 36 -2.372 -12.436 2.413 1.00 10.00 C ATOM 544 CD2 PHE A 36 -0.111 -11.752 2.982 1.00 10.00 C ATOM 545 CE1 PHE A 36 -2.313 -11.645 1.253 1.00 10.00 C ATOM 546 CE2 PHE A 36 -0.070 -10.923 1.851 1.00 10.00 C ATOM 547 CZ PHE A 36 -1.168 -10.877 0.980 1.00 10.00 C ATOM 0 H PHE A 36 -2.198 -15.125 2.273 1.00 10.00 H new ATOM 0 HA PHE A 36 -0.117 -14.876 3.143 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -2.163 -13.510 4.925 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -0.445 -13.218 5.116 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -3.273 -12.981 2.652 1.00 10.00 H new ATOM 0 HD2 PHE A 36 0.743 -11.802 3.642 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -3.149 -11.627 0.570 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.805 -10.322 1.652 1.00 10.00 H new ATOM 0 HZ PHE A 36 -1.134 -10.252 0.100 1.00 10.00 H new ATOM 557 N GLY A 37 0.164 -17.036 4.429 1.00 10.00 N ATOM 558 CA GLY A 37 0.770 -18.125 5.200 1.00 10.00 C ATOM 559 C GLY A 37 -0.101 -19.382 5.301 1.00 10.00 C ATOM 560 O GLY A 37 0.446 -20.473 5.462 1.00 10.00 O ATOM 0 H GLY A 37 0.095 -17.257 3.436 1.00 10.00 H new ATOM 0 HA2 GLY A 37 1.723 -18.392 4.743 1.00 10.00 H new ATOM 0 HA3 GLY A 37 0.988 -17.766 6.206 1.00 10.00 H new ATOM 564 N ARG A 38 -1.431 -19.264 5.162 1.00 10.00 N ATOM 565 CA ARG A 38 -2.332 -20.401 4.922 1.00 10.00 C ATOM 566 C ARG A 38 -2.100 -21.005 3.527 1.00 10.00 C ATOM 567 O ARG A 38 -1.440 -20.404 2.675 1.00 10.00 O ATOM 568 CB ARG A 38 -3.803 -19.973 5.066 1.00 10.00 C ATOM 569 CG ARG A 38 -4.213 -19.449 6.454 1.00 10.00 C ATOM 570 CD ARG A 38 -5.731 -19.481 6.731 1.00 10.00 C ATOM 571 NE ARG A 38 -6.580 -19.305 5.530 1.00 10.00 N ATOM 572 CZ ARG A 38 -7.083 -20.270 4.773 1.00 10.00 C ATOM 573 NH1 ARG A 38 -6.940 -21.548 5.014 1.00 10.00 N ATOM 574 NH2 ARG A 38 -7.748 -19.938 3.706 1.00 10.00 N ATOM 0 H ARG A 38 -1.915 -18.368 5.214 1.00 10.00 H new ATOM 0 HA ARG A 38 -2.110 -21.160 5.672 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -4.010 -19.197 4.329 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -4.436 -20.825 4.818 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -3.706 -20.041 7.216 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -3.859 -18.423 6.560 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -5.981 -20.432 7.201 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -5.973 -18.697 7.449 1.00 10.00 H new ATOM 0 HE ARG A 38 -6.799 -18.347 5.259 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.412 -21.857 5.830 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.356 -22.235 4.386 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -7.872 -18.954 3.468 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.145 -20.662 3.107 1.00 10.00 H new ATOM 588 N LYS A 39 -2.673 -22.188 3.264 1.00 10.00 N ATOM 589 CA LYS A 39 -2.538 -22.869 1.964 1.00 10.00 C ATOM 590 C LYS A 39 -3.555 -22.409 0.906 1.00 10.00 C ATOM 591 O LYS A 39 -4.547 -21.746 1.202 1.00 10.00 O ATOM 592 CB LYS A 39 -2.506 -24.393 2.166 1.00 10.00 C ATOM 593 CG LYS A 39 -3.865 -24.986 2.563 1.00 10.00 C ATOM 594 CD LYS A 39 -3.709 -26.433 3.060 1.00 10.00 C ATOM 595 CE LYS A 39 -5.028 -26.973 3.621 1.00 10.00 C ATOM 596 NZ LYS A 39 -5.342 -26.408 4.955 1.00 10.00 N ATOM 0 H LYS A 39 -3.240 -22.699 3.940 1.00 10.00 H new ATOM 0 HA LYS A 39 -1.581 -22.568 1.538 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -2.167 -24.867 1.245 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -1.774 -24.634 2.937 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -4.318 -24.376 3.344 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -4.540 -24.962 1.708 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -3.373 -27.067 2.240 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -2.939 -26.474 3.831 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -5.838 -26.739 2.930 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -4.973 -28.059 3.692 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -6.373 -26.330 5.065 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -4.961 -27.032 5.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -4.912 -25.465 5.042 1.00 10.00 H new ATOM 610 N THR A 40 -3.272 -22.788 -0.343 1.00 10.00 N ATOM 611 CA THR A 40 -3.969 -22.428 -1.588 1.00 10.00 C ATOM 612 C THR A 40 -5.384 -23.019 -1.675 1.00 10.00 C ATOM 613 O THR A 40 -6.379 -22.303 -1.579 1.00 10.00 O ATOM 614 CB THR A 40 -3.128 -22.919 -2.790 1.00 10.00 C ATOM 615 OG1 THR A 40 -2.786 -24.281 -2.603 1.00 10.00 O ATOM 616 CG2 THR A 40 -1.803 -22.181 -2.949 1.00 10.00 C ATOM 0 H THR A 40 -2.483 -23.407 -0.529 1.00 10.00 H new ATOM 0 HA THR A 40 -4.079 -21.344 -1.602 1.00 10.00 H new ATOM 0 HB THR A 40 -3.747 -22.744 -3.670 1.00 10.00 H new ATOM 0 HG1 THR A 40 -2.477 -24.660 -3.452 1.00 10.00 H new ATOM 0 HG21 THR A 40 -1.267 -22.578 -3.811 1.00 10.00 H new ATOM 0 HG22 THR A 40 -1.994 -21.118 -3.098 1.00 10.00 H new ATOM 0 HG23 THR A 40 -1.200 -22.319 -2.052 1.00 10.00 H new ATOM 624 N GLY A 41 -5.472 -24.340 -1.873 1.00 10.00 N ATOM 625 CA GLY A 41 -6.684 -25.109 -2.152 1.00 10.00 C ATOM 626 C GLY A 41 -7.580 -25.273 -0.929 1.00 10.00 C ATOM 627 O GLY A 41 -7.735 -26.380 -0.422 1.00 10.00 O ATOM 0 H GLY A 41 -4.644 -24.935 -1.840 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -7.247 -24.615 -2.944 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.405 -26.094 -2.526 1.00 10.00 H new ATOM 631 N GLN A 42 -8.165 -24.163 -0.469 1.00 10.00 N ATOM 632 CA GLN A 42 -8.943 -24.097 0.775 1.00 10.00 C ATOM 633 C GLN A 42 -10.371 -23.557 0.637 1.00 10.00 C ATOM 634 O GLN A 42 -11.095 -23.546 1.635 1.00 10.00 O ATOM 635 CB GLN A 42 -8.151 -23.295 1.825 1.00 10.00 C ATOM 636 CG GLN A 42 -7.461 -24.232 2.817 1.00 10.00 C ATOM 637 CD GLN A 42 -8.392 -24.955 3.803 1.00 10.00 C ATOM 638 OE1 GLN A 42 -7.928 -25.726 4.630 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.699 -24.760 3.788 1.00 10.00 N ATOM 0 H GLN A 42 -8.111 -23.269 -0.958 1.00 10.00 H new ATOM 0 HA GLN A 42 -9.083 -25.130 1.094 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.407 -22.672 1.328 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.823 -22.624 2.359 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -6.904 -24.981 2.255 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -6.733 -23.656 3.388 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.112 -24.122 3.108 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.295 -25.248 4.457 1.00 10.00 H new ATOM 648 N ALA A 43 -10.776 -23.137 -0.564 1.00 10.00 N ATOM 649 CA ALA A 43 -12.077 -22.539 -0.835 1.00 10.00 C ATOM 650 C ALA A 43 -13.222 -23.561 -0.652 1.00 10.00 C ATOM 651 O ALA A 43 -13.234 -24.578 -1.354 1.00 10.00 O ATOM 652 CB ALA A 43 -12.043 -21.978 -2.254 1.00 10.00 C ATOM 0 H ALA A 43 -10.189 -23.207 -1.395 1.00 10.00 H new ATOM 0 HA ALA A 43 -12.275 -21.738 -0.123 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -13.005 -21.522 -2.488 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -11.257 -21.226 -2.329 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -11.842 -22.784 -2.959 1.00 10.00 H new ATOM 658 N PRO A 44 -14.178 -23.340 0.274 1.00 10.00 N ATOM 659 CA PRO A 44 -15.183 -24.339 0.638 1.00 10.00 C ATOM 660 C PRO A 44 -16.271 -24.524 -0.441 1.00 10.00 C ATOM 661 O PRO A 44 -17.369 -23.980 -0.352 1.00 10.00 O ATOM 662 CB PRO A 44 -15.718 -23.900 2.007 1.00 10.00 C ATOM 663 CG PRO A 44 -15.541 -22.385 1.987 1.00 10.00 C ATOM 664 CD PRO A 44 -14.273 -22.186 1.160 1.00 10.00 C ATOM 0 HA PRO A 44 -14.752 -25.338 0.703 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -16.763 -24.181 2.139 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -15.159 -24.359 2.823 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -16.398 -21.887 1.534 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -15.432 -21.980 2.993 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -14.323 -21.260 0.588 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -13.396 -22.116 1.803 1.00 10.00 H new ATOM 672 N GLY A 45 -15.961 -25.321 -1.469 1.00 10.00 N ATOM 673 CA GLY A 45 -16.901 -25.789 -2.497 1.00 10.00 C ATOM 674 C GLY A 45 -16.939 -24.949 -3.780 1.00 10.00 C ATOM 675 O GLY A 45 -17.558 -25.357 -4.760 1.00 10.00 O ATOM 0 H GLY A 45 -15.014 -25.672 -1.615 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -16.644 -26.815 -2.761 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -17.902 -25.812 -2.067 1.00 10.00 H new ATOM 679 N PHE A 46 -16.256 -23.801 -3.799 1.00 10.00 N ATOM 680 CA PHE A 46 -16.047 -22.968 -4.982 1.00 10.00 C ATOM 681 C PHE A 46 -15.204 -23.719 -6.033 1.00 10.00 C ATOM 682 O PHE A 46 -14.041 -24.040 -5.795 1.00 10.00 O ATOM 683 CB PHE A 46 -15.416 -21.638 -4.532 1.00 10.00 C ATOM 684 CG PHE A 46 -14.619 -20.905 -5.589 1.00 10.00 C ATOM 685 CD1 PHE A 46 -15.262 -20.123 -6.563 1.00 10.00 C ATOM 686 CD2 PHE A 46 -13.222 -21.054 -5.627 1.00 10.00 C ATOM 687 CE1 PHE A 46 -14.511 -19.534 -7.593 1.00 10.00 C ATOM 688 CE2 PHE A 46 -12.471 -20.458 -6.649 1.00 10.00 C ATOM 689 CZ PHE A 46 -13.122 -19.711 -7.640 1.00 10.00 C ATOM 0 H PHE A 46 -15.819 -23.415 -2.962 1.00 10.00 H new ATOM 0 HA PHE A 46 -16.995 -22.744 -5.472 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -16.210 -20.980 -4.179 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -14.764 -21.835 -3.681 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -16.331 -19.975 -6.520 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -12.724 -21.632 -4.863 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -15.005 -18.943 -8.350 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -11.397 -20.574 -6.673 1.00 10.00 H new ATOM 0 HZ PHE A 46 -12.551 -19.270 -8.443 1.00 10.00 H new ATOM 699 N THR A 47 -15.813 -24.036 -7.183 1.00 10.00 N ATOM 700 CA THR A 47 -15.181 -24.727 -8.322 1.00 10.00 C ATOM 701 C THR A 47 -14.177 -23.820 -9.049 1.00 10.00 C ATOM 702 O THR A 47 -14.427 -22.627 -9.209 1.00 10.00 O ATOM 703 CB THR A 47 -16.263 -25.187 -9.317 1.00 10.00 C ATOM 704 OG1 THR A 47 -17.369 -25.738 -8.632 1.00 10.00 O ATOM 705 CG2 THR A 47 -15.752 -26.256 -10.283 1.00 10.00 C ATOM 0 H THR A 47 -16.793 -23.812 -7.355 1.00 10.00 H new ATOM 0 HA THR A 47 -14.640 -25.588 -7.929 1.00 10.00 H new ATOM 0 HB THR A 47 -16.549 -24.297 -9.878 1.00 10.00 H new ATOM 0 HG1 THR A 47 -18.046 -26.023 -9.280 1.00 10.00 H new ATOM 0 HG21 THR A 47 -16.554 -26.545 -10.963 1.00 10.00 H new ATOM 0 HG22 THR A 47 -14.916 -25.858 -10.857 1.00 10.00 H new ATOM 0 HG23 THR A 47 -15.422 -27.128 -9.719 1.00 10.00 H new ATOM 713 N TYR A 48 -13.054 -24.384 -9.515 1.00 10.00 N ATOM 714 CA TYR A 48 -11.909 -23.620 -10.022 1.00 10.00 C ATOM 715 C TYR A 48 -11.032 -24.393 -11.024 1.00 10.00 C ATOM 716 O TYR A 48 -11.272 -25.573 -11.282 1.00 10.00 O ATOM 717 CB TYR A 48 -11.097 -23.166 -8.803 1.00 10.00 C ATOM 718 CG TYR A 48 -10.706 -24.222 -7.774 1.00 10.00 C ATOM 719 CD1 TYR A 48 -9.967 -25.375 -8.124 1.00 10.00 C ATOM 720 CD2 TYR A 48 -10.987 -23.967 -6.420 1.00 10.00 C ATOM 721 CE1 TYR A 48 -9.467 -26.226 -7.123 1.00 10.00 C ATOM 722 CE2 TYR A 48 -10.501 -24.821 -5.412 1.00 10.00 C ATOM 723 CZ TYR A 48 -9.711 -25.939 -5.764 1.00 10.00 C ATOM 724 OH TYR A 48 -9.129 -26.703 -4.802 1.00 10.00 O ATOM 0 H TYR A 48 -12.915 -25.394 -9.550 1.00 10.00 H new ATOM 0 HA TYR A 48 -12.281 -22.770 -10.594 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -10.182 -22.697 -9.166 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -11.669 -22.393 -8.289 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -9.786 -25.603 -9.164 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -11.582 -23.107 -6.151 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -8.895 -27.101 -7.395 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -10.730 -24.623 -4.375 1.00 10.00 H new ATOM 0 HH TYR A 48 -9.396 -26.375 -3.918 1.00 10.00 H new ATOM 734 N THR A 49 -9.980 -23.752 -11.561 1.00 10.00 N ATOM 735 CA THR A 49 -8.958 -24.418 -12.390 1.00 10.00 C ATOM 736 C THR A 49 -8.113 -25.410 -11.573 1.00 10.00 C ATOM 737 O THR A 49 -7.434 -25.033 -10.615 1.00 10.00 O ATOM 738 CB THR A 49 -8.020 -23.412 -13.085 1.00 10.00 C ATOM 739 OG1 THR A 49 -7.305 -22.666 -12.131 1.00 10.00 O ATOM 740 CG2 THR A 49 -8.756 -22.432 -13.999 1.00 10.00 C ATOM 0 H THR A 49 -9.813 -22.754 -11.433 1.00 10.00 H new ATOM 0 HA THR A 49 -9.511 -24.964 -13.154 1.00 10.00 H new ATOM 0 HB THR A 49 -7.348 -24.011 -13.699 1.00 10.00 H new ATOM 0 HG1 THR A 49 -6.760 -21.990 -12.586 1.00 10.00 H new ATOM 0 HG21 THR A 49 -8.038 -21.752 -14.457 1.00 10.00 H new ATOM 0 HG22 THR A 49 -9.280 -22.985 -14.779 1.00 10.00 H new ATOM 0 HG23 THR A 49 -9.476 -21.859 -13.414 1.00 10.00 H new ATOM 748 N ASP A 50 -8.114 -26.686 -11.962 1.00 10.00 N ATOM 749 CA ASP A 50 -7.372 -27.780 -11.317 1.00 10.00 C ATOM 750 C ASP A 50 -5.848 -27.758 -11.615 1.00 10.00 C ATOM 751 O ASP A 50 -5.221 -28.798 -11.810 1.00 10.00 O ATOM 752 CB ASP A 50 -8.050 -29.101 -11.735 1.00 10.00 C ATOM 753 CG ASP A 50 -7.724 -30.269 -10.798 1.00 10.00 C ATOM 754 OD1 ASP A 50 -7.674 -30.021 -9.571 1.00 10.00 O ATOM 755 OD2 ASP A 50 -7.568 -31.399 -11.306 1.00 10.00 O ATOM 0 H ASP A 50 -8.653 -27.003 -12.768 1.00 10.00 H new ATOM 0 HA ASP A 50 -7.417 -27.662 -10.234 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -9.130 -28.955 -11.761 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -7.738 -29.358 -12.747 1.00 10.00 H new ATOM 760 N ALA A 51 -5.252 -26.560 -11.705 1.00 10.00 N ATOM 761 CA ALA A 51 -3.908 -26.323 -12.250 1.00 10.00 C ATOM 762 C ALA A 51 -3.065 -25.300 -11.460 1.00 10.00 C ATOM 763 O ALA A 51 -2.007 -24.876 -11.931 1.00 10.00 O ATOM 764 CB ALA A 51 -4.071 -25.904 -13.717 1.00 10.00 C ATOM 0 H ALA A 51 -5.707 -25.703 -11.391 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.341 -27.249 -12.162 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -3.090 -25.720 -14.154 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -4.570 -26.700 -14.269 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -4.669 -24.994 -13.771 1.00 10.00 H new ATOM 770 N ASN A 52 -3.498 -24.898 -10.256 1.00 10.00 N ATOM 771 CA ASN A 52 -2.903 -23.746 -9.554 1.00 10.00 C ATOM 772 C ASN A 52 -3.187 -23.726 -8.045 1.00 10.00 C ATOM 773 O ASN A 52 -2.296 -23.328 -7.297 1.00 10.00 O ATOM 774 CB ASN A 52 -3.313 -22.432 -10.287 1.00 10.00 C ATOM 775 CG ASN A 52 -4.175 -21.407 -9.547 1.00 10.00 C ATOM 776 OD1 ASN A 52 -5.217 -20.997 -10.042 1.00 10.00 O ATOM 777 ND2 ASN A 52 -3.806 -20.970 -8.359 1.00 10.00 N ATOM 0 H ASN A 52 -4.257 -25.351 -9.747 1.00 10.00 H new ATOM 0 HA ASN A 52 -1.818 -23.841 -9.601 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -2.397 -21.929 -10.597 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -3.845 -22.714 -11.196 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -4.387 -20.296 -7.860 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.940 -21.306 -7.939 1.00 10.00 H new ATOM 784 N LYS A 53 -4.357 -24.192 -7.581 1.00 10.00 N ATOM 785 CA LYS A 53 -4.597 -24.488 -6.157 1.00 10.00 C ATOM 786 C LYS A 53 -3.671 -25.638 -5.748 1.00 10.00 C ATOM 787 O LYS A 53 -2.893 -25.526 -4.801 1.00 10.00 O ATOM 788 CB LYS A 53 -6.083 -24.801 -5.907 1.00 10.00 C ATOM 789 CG LYS A 53 -6.932 -23.523 -5.730 1.00 10.00 C ATOM 790 CD LYS A 53 -6.975 -22.572 -6.938 1.00 10.00 C ATOM 791 CE LYS A 53 -7.488 -23.279 -8.188 1.00 10.00 C ATOM 792 NZ LYS A 53 -7.448 -22.432 -9.398 1.00 10.00 N ATOM 0 H LYS A 53 -5.163 -24.374 -8.180 1.00 10.00 H new ATOM 0 HA LYS A 53 -4.368 -23.620 -5.539 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -6.475 -25.381 -6.742 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.176 -25.422 -5.016 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.953 -23.819 -5.489 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.549 -22.972 -4.872 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.618 -21.722 -6.710 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.977 -22.176 -7.126 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -6.892 -24.175 -8.361 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.513 -23.607 -8.016 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -7.323 -23.032 -10.238 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.339 -21.902 -9.481 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -6.654 -21.764 -9.328 1.00 10.00 H new ATOM 806 N ASN A 54 -3.689 -26.681 -6.578 1.00 10.00 N ATOM 807 CA ASN A 54 -2.913 -27.913 -6.585 1.00 10.00 C ATOM 808 C ASN A 54 -1.399 -27.694 -6.433 1.00 10.00 C ATOM 809 O ASN A 54 -0.725 -28.504 -5.806 1.00 10.00 O ATOM 810 CB ASN A 54 -3.202 -28.628 -7.924 1.00 10.00 C ATOM 811 CG ASN A 54 -4.668 -28.619 -8.351 1.00 10.00 C ATOM 812 OD1 ASN A 54 -5.216 -27.561 -8.655 1.00 10.00 O ATOM 813 ND2 ASN A 54 -5.304 -29.770 -8.367 1.00 10.00 N ATOM 0 H ASN A 54 -4.337 -26.676 -7.365 1.00 10.00 H new ATOM 0 HA ASN A 54 -3.213 -28.508 -5.722 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -2.607 -28.157 -8.707 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -2.867 -29.662 -7.847 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -6.287 -29.806 -8.638 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -4.815 -30.627 -8.108 1.00 10.00 H new ATOM 820 N LYS A 55 -0.864 -26.599 -6.999 1.00 10.00 N ATOM 821 CA LYS A 55 0.566 -26.264 -6.937 1.00 10.00 C ATOM 822 C LYS A 55 1.051 -25.874 -5.535 1.00 10.00 C ATOM 823 O LYS A 55 2.256 -25.877 -5.308 1.00 10.00 O ATOM 824 CB LYS A 55 0.906 -25.165 -7.957 1.00 10.00 C ATOM 825 CG LYS A 55 0.800 -25.688 -9.400 1.00 10.00 C ATOM 826 CD LYS A 55 1.326 -24.697 -10.450 1.00 10.00 C ATOM 827 CE LYS A 55 2.812 -24.329 -10.294 1.00 10.00 C ATOM 828 NZ LYS A 55 3.707 -25.511 -10.366 1.00 10.00 N ATOM 0 H LYS A 55 -1.418 -25.917 -7.517 1.00 10.00 H new ATOM 0 HA LYS A 55 1.103 -27.177 -7.194 1.00 10.00 H new ATOM 0 HB2 LYS A 55 0.230 -24.321 -7.824 1.00 10.00 H new ATOM 0 HB3 LYS A 55 1.916 -24.797 -7.775 1.00 10.00 H new ATOM 0 HG2 LYS A 55 1.357 -26.622 -9.482 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -0.243 -25.918 -9.619 1.00 10.00 H new ATOM 0 HD2 LYS A 55 1.173 -25.123 -11.442 1.00 10.00 H new ATOM 0 HD3 LYS A 55 0.732 -23.785 -10.399 1.00 10.00 H new ATOM 0 HE2 LYS A 55 3.090 -23.620 -11.074 1.00 10.00 H new ATOM 0 HE3 LYS A 55 2.959 -23.825 -9.339 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 4.696 -25.204 -10.272 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 3.475 -26.170 -9.596 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 3.578 -25.989 -11.281 1.00 10.00 H new ATOM 842 N GLY A 56 0.148 -25.547 -4.603 1.00 10.00 N ATOM 843 CA GLY A 56 0.460 -25.455 -3.168 1.00 10.00 C ATOM 844 C GLY A 56 1.336 -24.267 -2.736 1.00 10.00 C ATOM 845 O GLY A 56 1.674 -24.165 -1.557 1.00 10.00 O ATOM 0 H GLY A 56 -0.826 -25.337 -4.822 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -0.479 -25.406 -2.616 1.00 10.00 H new ATOM 0 HA3 GLY A 56 0.959 -26.376 -2.867 1.00 10.00 H new ATOM 849 N ILE A 57 1.665 -23.350 -3.657 1.00 10.00 N ATOM 850 CA ILE A 57 2.592 -22.203 -3.539 1.00 10.00 C ATOM 851 C ILE A 57 2.239 -21.128 -2.479 1.00 10.00 C ATOM 852 O ILE A 57 2.840 -20.055 -2.474 1.00 10.00 O ATOM 853 CB ILE A 57 2.870 -21.601 -4.944 1.00 10.00 C ATOM 854 CG1 ILE A 57 1.625 -21.315 -5.811 1.00 10.00 C ATOM 855 CG2 ILE A 57 3.789 -22.550 -5.736 1.00 10.00 C ATOM 856 CD1 ILE A 57 0.673 -20.287 -5.203 1.00 10.00 C ATOM 0 H ILE A 57 1.255 -23.391 -4.590 1.00 10.00 H new ATOM 0 HA ILE A 57 3.512 -22.619 -3.130 1.00 10.00 H new ATOM 0 HB ILE A 57 3.330 -20.634 -4.741 1.00 10.00 H new ATOM 0 HG12 ILE A 57 1.949 -20.962 -6.790 1.00 10.00 H new ATOM 0 HG13 ILE A 57 1.084 -22.247 -5.972 1.00 10.00 H new ATOM 0 HG21 ILE A 57 3.985 -22.128 -6.722 1.00 10.00 H new ATOM 0 HG22 ILE A 57 4.731 -22.675 -5.201 1.00 10.00 H new ATOM 0 HG23 ILE A 57 3.303 -23.519 -5.846 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -0.177 -20.139 -5.869 1.00 10.00 H new ATOM 0 HD12 ILE A 57 0.318 -20.646 -4.237 1.00 10.00 H new ATOM 0 HD13 ILE A 57 1.197 -19.341 -5.068 1.00 10.00 H new ATOM 868 N THR A 58 1.314 -21.443 -1.560 1.00 10.00 N ATOM 869 CA THR A 58 1.129 -20.878 -0.211 1.00 10.00 C ATOM 870 C THR A 58 1.333 -19.362 -0.178 1.00 10.00 C ATOM 871 O THR A 58 2.413 -18.859 0.139 1.00 10.00 O ATOM 872 CB THR A 58 2.005 -21.662 0.787 1.00 10.00 C ATOM 873 OG1 THR A 58 1.582 -23.014 0.794 1.00 10.00 O ATOM 874 CG2 THR A 58 1.902 -21.195 2.241 1.00 10.00 C ATOM 0 H THR A 58 0.616 -22.160 -1.756 1.00 10.00 H new ATOM 0 HA THR A 58 0.091 -21.002 0.098 1.00 10.00 H new ATOM 0 HB THR A 58 3.030 -21.507 0.449 1.00 10.00 H new ATOM 0 HG1 THR A 58 1.831 -23.439 -0.053 1.00 10.00 H new ATOM 0 HG21 THR A 58 2.553 -21.806 2.866 1.00 10.00 H new ATOM 0 HG22 THR A 58 2.207 -20.151 2.310 1.00 10.00 H new ATOM 0 HG23 THR A 58 0.872 -21.295 2.583 1.00 10.00 H new ATOM 882 N TRP A 59 0.281 -18.640 -0.576 1.00 10.00 N ATOM 883 CA TRP A 59 0.280 -17.193 -0.773 1.00 10.00 C ATOM 884 C TRP A 59 0.759 -16.449 0.482 1.00 10.00 C ATOM 885 O TRP A 59 0.356 -16.794 1.596 1.00 10.00 O ATOM 886 CB TRP A 59 -1.125 -16.756 -1.192 1.00 10.00 C ATOM 887 CG TRP A 59 -1.734 -17.511 -2.339 1.00 10.00 C ATOM 888 CD1 TRP A 59 -2.766 -18.390 -2.303 1.00 10.00 C ATOM 889 CD2 TRP A 59 -1.341 -17.445 -3.735 1.00 10.00 C ATOM 890 NE1 TRP A 59 -3.077 -18.798 -3.582 1.00 10.00 N ATOM 891 CE2 TRP A 59 -2.240 -18.231 -4.509 1.00 10.00 C ATOM 892 CE3 TRP A 59 -0.305 -16.787 -4.415 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -2.168 -18.299 -5.906 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -0.188 -16.889 -5.809 1.00 10.00 C ATOM 895 CH2 TRP A 59 -1.130 -17.614 -6.554 1.00 10.00 C ATOM 0 H TRP A 59 -0.624 -19.065 -0.776 1.00 10.00 H new ATOM 0 HA TRP A 59 0.986 -16.936 -1.563 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.785 -16.849 -0.330 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.092 -15.699 -1.455 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -3.269 -18.721 -1.406 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -3.835 -19.441 -3.811 1.00 10.00 H new ATOM 0 HE3 TRP A 59 0.409 -16.197 -3.860 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -2.894 -18.865 -6.470 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 0.635 -16.405 -6.314 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -1.055 -17.645 -7.631 1.00 10.00 H new ATOM 906 N LYS A 60 1.608 -15.423 0.302 1.00 10.00 N ATOM 907 CA LYS A 60 2.410 -14.842 1.392 1.00 10.00 C ATOM 908 C LYS A 60 2.961 -13.436 1.106 1.00 10.00 C ATOM 909 O LYS A 60 2.448 -12.494 1.690 1.00 10.00 O ATOM 910 CB LYS A 60 3.452 -15.861 1.938 1.00 10.00 C ATOM 911 CG LYS A 60 4.832 -16.056 1.279 1.00 10.00 C ATOM 912 CD LYS A 60 4.815 -16.651 -0.139 1.00 10.00 C ATOM 913 CE LYS A 60 5.368 -18.083 -0.208 1.00 10.00 C ATOM 914 NZ LYS A 60 6.801 -18.137 0.165 1.00 10.00 N ATOM 0 H LYS A 60 1.757 -14.974 -0.602 1.00 10.00 H new ATOM 0 HA LYS A 60 1.720 -14.650 2.213 1.00 10.00 H new ATOM 0 HB2 LYS A 60 3.636 -15.594 2.979 1.00 10.00 H new ATOM 0 HB3 LYS A 60 2.965 -16.836 1.941 1.00 10.00 H new ATOM 0 HG2 LYS A 60 5.336 -15.090 1.242 1.00 10.00 H new ATOM 0 HG3 LYS A 60 5.431 -16.704 1.918 1.00 10.00 H new ATOM 0 HD2 LYS A 60 3.792 -16.646 -0.514 1.00 10.00 H new ATOM 0 HD3 LYS A 60 5.400 -16.012 -0.800 1.00 10.00 H new ATOM 0 HE2 LYS A 60 4.794 -18.727 0.459 1.00 10.00 H new ATOM 0 HE3 LYS A 60 5.240 -18.474 -1.217 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 7.329 -18.664 -0.560 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 7.179 -17.170 0.233 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 6.903 -18.614 1.083 1.00 10.00 H new ATOM 928 N GLU A 61 3.977 -13.251 0.257 1.00 10.00 N ATOM 929 CA GLU A 61 4.641 -11.936 0.099 1.00 10.00 C ATOM 930 C GLU A 61 5.511 -11.847 -1.169 1.00 10.00 C ATOM 931 O GLU A 61 6.411 -11.020 -1.265 1.00 10.00 O ATOM 932 CB GLU A 61 5.479 -11.637 1.361 1.00 10.00 C ATOM 933 CG GLU A 61 5.639 -10.129 1.642 1.00 10.00 C ATOM 934 CD GLU A 61 5.038 -9.751 3.001 1.00 10.00 C ATOM 935 OE1 GLU A 61 5.501 -10.287 4.036 1.00 10.00 O ATOM 936 OE2 GLU A 61 4.067 -8.958 3.056 1.00 10.00 O ATOM 0 H GLU A 61 4.363 -13.988 -0.334 1.00 10.00 H new ATOM 0 HA GLU A 61 3.861 -11.184 -0.020 1.00 10.00 H new ATOM 0 HB2 GLU A 61 5.009 -12.112 2.222 1.00 10.00 H new ATOM 0 HB3 GLU A 61 6.466 -12.086 1.248 1.00 10.00 H new ATOM 0 HG2 GLU A 61 6.696 -9.863 1.622 1.00 10.00 H new ATOM 0 HG3 GLU A 61 5.151 -9.556 0.854 1.00 10.00 H new ATOM 943 N GLU A 62 5.257 -12.721 -2.148 1.00 10.00 N ATOM 944 CA GLU A 62 6.178 -13.048 -3.244 1.00 10.00 C ATOM 945 C GLU A 62 5.359 -13.684 -4.374 1.00 10.00 C ATOM 946 O GLU A 62 5.187 -13.111 -5.445 1.00 10.00 O ATOM 947 CB GLU A 62 7.235 -14.093 -2.796 1.00 10.00 C ATOM 948 CG GLU A 62 8.113 -13.800 -1.572 1.00 10.00 C ATOM 949 CD GLU A 62 8.821 -15.089 -1.139 1.00 10.00 C ATOM 950 OE1 GLU A 62 8.101 -16.000 -0.659 1.00 10.00 O ATOM 951 OE2 GLU A 62 10.053 -15.185 -1.316 1.00 10.00 O ATOM 0 H GLU A 62 4.379 -13.237 -2.202 1.00 10.00 H new ATOM 0 HA GLU A 62 6.685 -12.136 -3.558 1.00 10.00 H new ATOM 0 HB2 GLU A 62 6.709 -15.029 -2.605 1.00 10.00 H new ATOM 0 HB3 GLU A 62 7.900 -14.268 -3.641 1.00 10.00 H new ATOM 0 HG2 GLU A 62 8.847 -13.031 -1.812 1.00 10.00 H new ATOM 0 HG3 GLU A 62 7.502 -13.414 -0.756 1.00 10.00 H new ATOM 958 N THR A 63 4.772 -14.846 -4.087 1.00 10.00 N ATOM 959 CA THR A 63 3.947 -15.657 -4.978 1.00 10.00 C ATOM 960 C THR A 63 2.720 -14.882 -5.425 1.00 10.00 C ATOM 961 O THR A 63 2.449 -14.805 -6.617 1.00 10.00 O ATOM 962 CB THR A 63 3.604 -16.979 -4.257 1.00 10.00 C ATOM 963 OG1 THR A 63 2.987 -16.734 -3.002 1.00 10.00 O ATOM 964 CG2 THR A 63 4.883 -17.766 -3.940 1.00 10.00 C ATOM 0 H THR A 63 4.867 -15.272 -3.165 1.00 10.00 H new ATOM 0 HA THR A 63 4.490 -15.902 -5.891 1.00 10.00 H new ATOM 0 HB THR A 63 2.941 -17.530 -4.923 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.067 -17.531 -2.437 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.622 -18.695 -3.432 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.409 -17.995 -4.867 1.00 10.00 H new ATOM 0 HG23 THR A 63 5.528 -17.168 -3.295 1.00 10.00 H new ATOM 972 N LEU A 64 2.029 -14.234 -4.488 1.00 10.00 N ATOM 973 CA LEU A 64 0.892 -13.358 -4.745 1.00 10.00 C ATOM 974 C LEU A 64 1.304 -12.061 -5.444 1.00 10.00 C ATOM 975 O LEU A 64 0.525 -11.512 -6.212 1.00 10.00 O ATOM 976 CB LEU A 64 0.185 -13.063 -3.404 1.00 10.00 C ATOM 977 CG LEU A 64 -1.352 -13.080 -3.453 1.00 10.00 C ATOM 978 CD1 LEU A 64 -1.910 -12.776 -2.059 1.00 10.00 C ATOM 979 CD2 LEU A 64 -1.950 -12.052 -4.416 1.00 10.00 C ATOM 0 H LEU A 64 2.255 -14.309 -3.496 1.00 10.00 H new ATOM 0 HA LEU A 64 0.208 -13.865 -5.425 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.517 -13.796 -2.669 1.00 10.00 H new ATOM 0 HB3 LEU A 64 0.510 -12.085 -3.048 1.00 10.00 H new ATOM 0 HG LEU A 64 -1.628 -14.074 -3.805 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -2.999 -12.788 -2.093 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -1.561 -13.531 -1.355 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.568 -11.793 -1.737 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -3.037 -12.124 -4.396 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.647 -11.050 -4.113 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.592 -12.249 -5.427 1.00 10.00 H new ATOM 991 N MET A 65 2.532 -11.591 -5.223 1.00 10.00 N ATOM 992 CA MET A 65 3.084 -10.443 -5.933 1.00 10.00 C ATOM 993 C MET A 65 3.235 -10.774 -7.416 1.00 10.00 C ATOM 994 O MET A 65 2.690 -10.065 -8.261 1.00 10.00 O ATOM 995 CB MET A 65 4.419 -10.045 -5.272 1.00 10.00 C ATOM 996 CG MET A 65 4.609 -8.535 -5.304 1.00 10.00 C ATOM 997 SD MET A 65 6.139 -7.917 -4.551 1.00 10.00 S ATOM 998 CE MET A 65 5.740 -8.122 -2.794 1.00 10.00 C ATOM 0 H MET A 65 3.173 -12.000 -4.543 1.00 10.00 H new ATOM 0 HA MET A 65 2.412 -9.587 -5.869 1.00 10.00 H new ATOM 0 HB2 MET A 65 4.438 -10.397 -4.240 1.00 10.00 H new ATOM 0 HB3 MET A 65 5.246 -10.531 -5.790 1.00 10.00 H new ATOM 0 HG2 MET A 65 4.578 -8.206 -6.343 1.00 10.00 H new ATOM 0 HG3 MET A 65 3.763 -8.070 -4.797 1.00 10.00 H new ATOM 0 HE1 MET A 65 5.623 -7.142 -2.331 1.00 10.00 H new ATOM 0 HE2 MET A 65 4.811 -8.684 -2.695 1.00 10.00 H new ATOM 0 HE3 MET A 65 6.546 -8.663 -2.299 1.00 10.00 H new ATOM 1008 N GLU A 66 3.881 -11.908 -7.708 1.00 10.00 N ATOM 1009 CA GLU A 66 4.062 -12.427 -9.063 1.00 10.00 C ATOM 1010 C GLU A 66 2.706 -12.722 -9.705 1.00 10.00 C ATOM 1011 O GLU A 66 2.444 -12.334 -10.843 1.00 10.00 O ATOM 1012 CB GLU A 66 4.917 -13.709 -9.003 1.00 10.00 C ATOM 1013 CG GLU A 66 5.415 -14.192 -10.375 1.00 10.00 C ATOM 1014 CD GLU A 66 6.241 -13.180 -11.178 1.00 10.00 C ATOM 1015 OE1 GLU A 66 6.873 -12.299 -10.561 1.00 10.00 O ATOM 1016 OE2 GLU A 66 6.253 -13.330 -12.424 1.00 10.00 O ATOM 0 H GLU A 66 4.300 -12.501 -6.992 1.00 10.00 H new ATOM 0 HA GLU A 66 4.571 -11.680 -9.672 1.00 10.00 H new ATOM 0 HB2 GLU A 66 5.777 -13.530 -8.358 1.00 10.00 H new ATOM 0 HB3 GLU A 66 4.331 -14.503 -8.540 1.00 10.00 H new ATOM 0 HG2 GLU A 66 6.017 -15.088 -10.227 1.00 10.00 H new ATOM 0 HG3 GLU A 66 4.551 -14.483 -10.972 1.00 10.00 H new ATOM 1023 N TYR A 67 1.825 -13.387 -8.952 1.00 10.00 N ATOM 1024 CA TYR A 67 0.507 -13.775 -9.421 1.00 10.00 C ATOM 1025 C TYR A 67 -0.399 -12.570 -9.714 1.00 10.00 C ATOM 1026 O TYR A 67 -0.943 -12.499 -10.807 1.00 10.00 O ATOM 1027 CB TYR A 67 -0.121 -14.698 -8.389 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.564 -15.070 -8.649 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.867 -16.112 -9.543 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -2.597 -14.409 -7.958 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -3.196 -16.544 -9.692 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -3.934 -14.800 -8.146 1.00 10.00 C ATOM 1033 CZ TYR A 67 -4.233 -15.886 -8.993 1.00 10.00 C ATOM 1034 OH TYR A 67 -5.519 -16.305 -9.120 1.00 10.00 O ATOM 0 H TYR A 67 2.016 -13.670 -7.991 1.00 10.00 H new ATOM 0 HA TYR A 67 0.619 -14.296 -10.372 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.469 -15.613 -8.337 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -0.056 -14.221 -7.411 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -1.079 -16.580 -10.115 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -2.362 -13.600 -7.282 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -3.424 -17.378 -10.340 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -4.729 -14.270 -7.643 1.00 10.00 H new ATOM 0 HH TYR A 67 -5.533 -17.269 -9.297 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.590 -11.624 -8.780 1.00 10.00 N ATOM 1045 CA LEU A 68 -1.470 -10.468 -9.019 1.00 10.00 C ATOM 1046 C LEU A 68 -0.902 -9.531 -10.101 1.00 10.00 C ATOM 1047 O LEU A 68 -1.672 -8.862 -10.787 1.00 10.00 O ATOM 1048 CB LEU A 68 -1.751 -9.736 -7.688 1.00 10.00 C ATOM 1049 CG LEU A 68 -3.169 -9.164 -7.479 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -3.594 -8.113 -8.504 1.00 10.00 C ATOM 1051 CD2 LEU A 68 -4.234 -10.264 -7.419 1.00 10.00 C ATOM 0 H LEU A 68 -0.151 -11.636 -7.859 1.00 10.00 H new ATOM 0 HA LEU A 68 -2.422 -10.829 -9.409 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -1.543 -10.428 -6.872 1.00 10.00 H new ATOM 0 HB3 LEU A 68 -1.040 -8.915 -7.598 1.00 10.00 H new ATOM 0 HG LEU A 68 -3.101 -8.660 -6.515 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -4.603 -7.770 -8.276 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -2.906 -7.268 -8.466 1.00 10.00 H new ATOM 0 HD13 LEU A 68 -3.576 -8.550 -9.502 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -5.215 -9.813 -7.271 1.00 10.00 H new ATOM 0 HD22 LEU A 68 -4.230 -10.826 -8.353 1.00 10.00 H new ATOM 0 HD23 LEU A 68 -4.015 -10.937 -6.590 1.00 10.00 H new ATOM 1063 N GLU A 69 0.422 -9.495 -10.305 1.00 10.00 N ATOM 1064 CA GLU A 69 1.011 -8.814 -11.458 1.00 10.00 C ATOM 1065 C GLU A 69 0.939 -9.598 -12.784 1.00 10.00 C ATOM 1066 O GLU A 69 0.956 -8.962 -13.840 1.00 10.00 O ATOM 1067 CB GLU A 69 2.456 -8.434 -11.111 1.00 10.00 C ATOM 1068 CG GLU A 69 2.444 -7.215 -10.172 1.00 10.00 C ATOM 1069 CD GLU A 69 3.831 -6.708 -9.760 1.00 10.00 C ATOM 1070 OE1 GLU A 69 4.639 -6.404 -10.661 1.00 10.00 O ATOM 1071 OE2 GLU A 69 4.039 -6.526 -8.534 1.00 10.00 O ATOM 0 H GLU A 69 1.103 -9.931 -9.684 1.00 10.00 H new ATOM 0 HA GLU A 69 0.408 -7.926 -11.647 1.00 10.00 H new ATOM 0 HB2 GLU A 69 2.961 -9.273 -10.632 1.00 10.00 H new ATOM 0 HB3 GLU A 69 3.013 -8.204 -12.019 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.906 -6.403 -10.661 1.00 10.00 H new ATOM 0 HG3 GLU A 69 1.885 -7.472 -9.273 1.00 10.00 H new ATOM 1078 N ASN A 70 0.855 -10.937 -12.762 1.00 10.00 N ATOM 1079 CA ASN A 70 0.906 -11.783 -13.965 1.00 10.00 C ATOM 1080 C ASN A 70 0.386 -13.237 -13.725 1.00 10.00 C ATOM 1081 O ASN A 70 1.167 -14.191 -13.741 1.00 10.00 O ATOM 1082 CB ASN A 70 2.370 -11.727 -14.495 1.00 10.00 C ATOM 1083 CG ASN A 70 2.469 -11.204 -15.915 1.00 10.00 C ATOM 1084 OD1 ASN A 70 2.987 -11.865 -16.802 1.00 10.00 O ATOM 1085 ND2 ASN A 70 1.988 -10.005 -16.161 1.00 10.00 N ATOM 0 H ASN A 70 0.749 -11.469 -11.898 1.00 10.00 H new ATOM 0 HA ASN A 70 0.220 -11.400 -14.721 1.00 10.00 H new ATOM 0 HB2 ASN A 70 2.964 -11.092 -13.838 1.00 10.00 H new ATOM 0 HB3 ASN A 70 2.805 -12.726 -14.451 1.00 10.00 H new ATOM 0 HD21 ASN A 70 2.045 -9.616 -17.102 1.00 10.00 H new ATOM 0 HD22 ASN A 70 1.558 -9.464 -15.411 1.00 10.00 H new ATOM 1092 N PRO A 71 -0.934 -13.472 -13.550 1.00 10.00 N ATOM 1093 CA PRO A 71 -1.440 -14.705 -12.933 1.00 10.00 C ATOM 1094 C PRO A 71 -1.286 -15.939 -13.830 1.00 10.00 C ATOM 1095 O PRO A 71 -0.632 -16.913 -13.457 1.00 10.00 O ATOM 1096 CB PRO A 71 -2.903 -14.417 -12.573 1.00 10.00 C ATOM 1097 CG PRO A 71 -3.323 -13.300 -13.526 1.00 10.00 C ATOM 1098 CD PRO A 71 -2.020 -12.522 -13.752 1.00 10.00 C ATOM 0 HA PRO A 71 -0.856 -14.960 -12.049 1.00 10.00 H new ATOM 0 HB2 PRO A 71 -3.525 -15.303 -12.703 1.00 10.00 H new ATOM 0 HB3 PRO A 71 -3.001 -14.108 -11.532 1.00 10.00 H new ATOM 0 HG2 PRO A 71 -3.722 -13.696 -14.460 1.00 10.00 H new ATOM 0 HG3 PRO A 71 -4.098 -12.669 -13.090 1.00 10.00 H new ATOM 0 HD2 PRO A 71 -1.987 -12.103 -14.758 1.00 10.00 H new ATOM 0 HD3 PRO A 71 -1.940 -11.687 -13.056 1.00 10.00 H new ATOM 1106 N LYS A 72 -1.870 -15.878 -15.033 1.00 10.00 N ATOM 1107 CA LYS A 72 -1.891 -16.925 -16.060 1.00 10.00 C ATOM 1108 C LYS A 72 -0.487 -17.271 -16.573 1.00 10.00 C ATOM 1109 O LYS A 72 -0.236 -18.389 -17.011 1.00 10.00 O ATOM 1110 CB LYS A 72 -2.773 -16.431 -17.215 1.00 10.00 C ATOM 1111 CG LYS A 72 -4.214 -16.083 -16.798 1.00 10.00 C ATOM 1112 CD LYS A 72 -4.979 -15.315 -17.890 1.00 10.00 C ATOM 1113 CE LYS A 72 -6.038 -14.390 -17.271 1.00 10.00 C ATOM 1114 NZ LYS A 72 -7.154 -15.143 -16.665 1.00 10.00 N ATOM 0 H LYS A 72 -2.372 -15.043 -15.333 1.00 10.00 H new ATOM 0 HA LYS A 72 -2.292 -17.840 -15.623 1.00 10.00 H new ATOM 0 HB2 LYS A 72 -2.311 -15.549 -17.660 1.00 10.00 H new ATOM 0 HB3 LYS A 72 -2.805 -17.199 -17.988 1.00 10.00 H new ATOM 0 HG2 LYS A 72 -4.751 -17.001 -16.561 1.00 10.00 H new ATOM 0 HG3 LYS A 72 -4.190 -15.484 -15.888 1.00 10.00 H new ATOM 0 HD2 LYS A 72 -4.280 -14.727 -18.484 1.00 10.00 H new ATOM 0 HD3 LYS A 72 -5.459 -16.021 -18.568 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -5.571 -13.763 -16.511 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -6.428 -13.722 -18.039 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -7.502 -14.634 -15.827 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -7.925 -15.238 -17.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -6.823 -16.088 -16.383 1.00 10.00 H new ATOM 1128 N LYS A 73 0.422 -16.289 -16.511 1.00 10.00 N ATOM 1129 CA LYS A 73 1.854 -16.414 -16.794 1.00 10.00 C ATOM 1130 C LYS A 73 2.574 -17.115 -15.644 1.00 10.00 C ATOM 1131 O LYS A 73 3.374 -18.011 -15.891 1.00 10.00 O ATOM 1132 CB LYS A 73 2.410 -15.007 -17.067 1.00 10.00 C ATOM 1133 CG LYS A 73 3.799 -14.958 -17.733 1.00 10.00 C ATOM 1134 CD LYS A 73 5.019 -15.181 -16.822 1.00 10.00 C ATOM 1135 CE LYS A 73 5.030 -14.237 -15.614 1.00 10.00 C ATOM 1136 NZ LYS A 73 6.285 -14.360 -14.841 1.00 10.00 N ATOM 0 H LYS A 73 0.163 -15.338 -16.248 1.00 10.00 H new ATOM 0 HA LYS A 73 2.019 -17.035 -17.675 1.00 10.00 H new ATOM 0 HB2 LYS A 73 1.703 -14.473 -17.702 1.00 10.00 H new ATOM 0 HB3 LYS A 73 2.461 -14.466 -16.122 1.00 10.00 H new ATOM 0 HG2 LYS A 73 3.823 -15.710 -18.522 1.00 10.00 H new ATOM 0 HG3 LYS A 73 3.909 -13.987 -18.215 1.00 10.00 H new ATOM 0 HD2 LYS A 73 5.023 -16.213 -16.472 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.932 -15.036 -17.400 1.00 10.00 H new ATOM 0 HE2 LYS A 73 4.910 -13.208 -15.954 1.00 10.00 H new ATOM 0 HE3 LYS A 73 4.181 -14.461 -14.969 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 6.199 -13.826 -13.953 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.464 -15.362 -14.627 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.075 -13.979 -15.399 1.00 10.00 H new ATOM 1150 N TYR A 74 2.303 -16.706 -14.397 1.00 10.00 N ATOM 1151 CA TYR A 74 2.897 -17.311 -13.208 1.00 10.00 C ATOM 1152 C TYR A 74 2.556 -18.797 -13.050 1.00 10.00 C ATOM 1153 O TYR A 74 3.456 -19.603 -12.821 1.00 10.00 O ATOM 1154 CB TYR A 74 2.526 -16.527 -11.946 1.00 10.00 C ATOM 1155 CG TYR A 74 3.195 -17.054 -10.686 1.00 10.00 C ATOM 1156 CD1 TYR A 74 4.574 -17.346 -10.666 1.00 10.00 C ATOM 1157 CD2 TYR A 74 2.432 -17.247 -9.521 1.00 10.00 C ATOM 1158 CE1 TYR A 74 5.187 -17.828 -9.496 1.00 10.00 C ATOM 1159 CE2 TYR A 74 3.046 -17.683 -8.333 1.00 10.00 C ATOM 1160 CZ TYR A 74 4.420 -17.993 -8.326 1.00 10.00 C ATOM 1161 OH TYR A 74 5.000 -18.463 -7.192 1.00 10.00 O ATOM 0 H TYR A 74 1.661 -15.941 -14.189 1.00 10.00 H new ATOM 0 HA TYR A 74 3.977 -17.257 -13.348 1.00 10.00 H new ATOM 0 HB2 TYR A 74 2.801 -15.481 -12.084 1.00 10.00 H new ATOM 0 HB3 TYR A 74 1.445 -16.558 -11.814 1.00 10.00 H new ATOM 0 HD1 TYR A 74 5.165 -17.198 -11.558 1.00 10.00 H new ATOM 0 HD2 TYR A 74 1.369 -17.059 -9.538 1.00 10.00 H new ATOM 0 HE1 TYR A 74 6.239 -18.070 -9.494 1.00 10.00 H new ATOM 0 HE2 TYR A 74 2.465 -17.780 -7.428 1.00 10.00 H new ATOM 0 HH TYR A 74 5.943 -18.197 -7.172 1.00 10.00 H new ATOM 1171 N ILE A 75 1.271 -19.156 -13.161 1.00 10.00 N ATOM 1172 CA ILE A 75 0.788 -20.526 -12.951 1.00 10.00 C ATOM 1173 C ILE A 75 -0.223 -20.934 -14.044 1.00 10.00 C ATOM 1174 O ILE A 75 -1.131 -20.161 -14.362 1.00 10.00 O ATOM 1175 CB ILE A 75 0.282 -20.734 -11.502 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -0.729 -19.658 -11.039 1.00 10.00 C ATOM 1177 CG2 ILE A 75 1.500 -20.829 -10.557 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -1.017 -19.692 -9.533 1.00 10.00 C ATOM 0 H ILE A 75 0.530 -18.497 -13.401 1.00 10.00 H new ATOM 0 HA ILE A 75 1.627 -21.214 -13.060 1.00 10.00 H new ATOM 0 HB ILE A 75 -0.279 -21.668 -11.472 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.345 -18.673 -11.305 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.664 -19.793 -11.582 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.156 -20.976 -9.533 1.00 10.00 H new ATOM 0 HG22 ILE A 75 2.126 -21.671 -10.853 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.079 -19.908 -10.616 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.734 -18.910 -9.282 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -1.431 -20.664 -9.264 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.091 -19.526 -8.982 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.055 -22.122 -14.668 1.00 10.00 N ATOM 1191 CA PRO A 76 -0.628 -22.455 -15.978 1.00 10.00 C ATOM 1192 C PRO A 76 -2.107 -22.878 -15.907 1.00 10.00 C ATOM 1193 O PRO A 76 -2.467 -24.011 -16.226 1.00 10.00 O ATOM 1194 CB PRO A 76 0.287 -23.563 -16.523 1.00 10.00 C ATOM 1195 CG PRO A 76 0.658 -24.328 -15.255 1.00 10.00 C ATOM 1196 CD PRO A 76 0.848 -23.191 -14.254 1.00 10.00 C ATOM 0 HA PRO A 76 -0.656 -21.587 -16.637 1.00 10.00 H new ATOM 0 HB2 PRO A 76 -0.227 -24.197 -17.245 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.165 -23.156 -17.024 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.128 -25.017 -14.948 1.00 10.00 H new ATOM 0 HG3 PRO A 76 1.566 -24.917 -15.383 1.00 10.00 H new ATOM 0 HD2 PRO A 76 0.619 -23.523 -13.241 1.00 10.00 H new ATOM 0 HD3 PRO A 76 1.882 -22.846 -14.250 1.00 10.00 H new ATOM 1204 N GLY A 77 -2.974 -21.948 -15.504 1.00 10.00 N ATOM 1205 CA GLY A 77 -4.419 -22.149 -15.464 1.00 10.00 C ATOM 1206 C GLY A 77 -5.068 -21.328 -14.360 1.00 10.00 C ATOM 1207 O GLY A 77 -5.247 -21.825 -13.251 1.00 10.00 O ATOM 0 H GLY A 77 -2.685 -21.021 -15.192 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.852 -21.874 -16.426 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.636 -23.206 -15.308 1.00 10.00 H new ATOM 1211 N THR A 78 -5.451 -20.086 -14.665 1.00 10.00 N ATOM 1212 CA THR A 78 -6.136 -19.175 -13.742 1.00 10.00 C ATOM 1213 C THR A 78 -7.157 -18.337 -14.518 1.00 10.00 C ATOM 1214 O THR A 78 -6.812 -17.344 -15.155 1.00 10.00 O ATOM 1215 CB THR A 78 -5.125 -18.299 -12.984 1.00 10.00 C ATOM 1216 OG1 THR A 78 -4.390 -19.065 -12.050 1.00 10.00 O ATOM 1217 CG2 THR A 78 -5.797 -17.174 -12.202 1.00 10.00 C ATOM 0 H THR A 78 -5.290 -19.674 -15.584 1.00 10.00 H new ATOM 0 HA THR A 78 -6.672 -19.755 -12.990 1.00 10.00 H new ATOM 0 HB THR A 78 -4.474 -17.877 -13.750 1.00 10.00 H new ATOM 0 HG1 THR A 78 -5.006 -19.605 -11.513 1.00 10.00 H new ATOM 0 HG21 THR A 78 -5.038 -16.586 -11.686 1.00 10.00 H new ATOM 0 HG22 THR A 78 -6.348 -16.532 -12.889 1.00 10.00 H new ATOM 0 HG23 THR A 78 -6.486 -17.599 -11.472 1.00 10.00 H new ATOM 1225 N LYS A 79 -8.433 -18.725 -14.446 1.00 10.00 N ATOM 1226 CA LYS A 79 -9.579 -18.073 -15.091 1.00 10.00 C ATOM 1227 C LYS A 79 -10.135 -16.851 -14.345 1.00 10.00 C ATOM 1228 O LYS A 79 -11.131 -16.284 -14.784 1.00 10.00 O ATOM 1229 CB LYS A 79 -10.661 -19.141 -15.361 1.00 10.00 C ATOM 1230 CG LYS A 79 -10.390 -19.878 -16.683 1.00 10.00 C ATOM 1231 CD LYS A 79 -10.961 -19.093 -17.876 1.00 10.00 C ATOM 1232 CE LYS A 79 -10.315 -19.478 -19.212 1.00 10.00 C ATOM 1233 NZ LYS A 79 -9.002 -18.817 -19.395 1.00 10.00 N ATOM 0 H LYS A 79 -8.711 -19.546 -13.908 1.00 10.00 H new ATOM 0 HA LYS A 79 -9.226 -17.647 -16.030 1.00 10.00 H new ATOM 0 HB2 LYS A 79 -10.683 -19.857 -14.539 1.00 10.00 H new ATOM 0 HB3 LYS A 79 -11.642 -18.668 -15.399 1.00 10.00 H new ATOM 0 HG2 LYS A 79 -9.317 -20.016 -16.814 1.00 10.00 H new ATOM 0 HG3 LYS A 79 -10.837 -20.871 -16.649 1.00 10.00 H new ATOM 0 HD2 LYS A 79 -12.036 -19.265 -17.936 1.00 10.00 H new ATOM 0 HD3 LYS A 79 -10.818 -18.026 -17.704 1.00 10.00 H new ATOM 0 HE2 LYS A 79 -10.188 -20.560 -19.257 1.00 10.00 H new ATOM 0 HE3 LYS A 79 -10.979 -19.201 -20.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 -8.595 -19.101 -20.309 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 -9.128 -17.785 -19.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 -8.360 -19.101 -18.627 1.00 10.00 H new ATOM 1247 N MET A 80 -9.468 -16.375 -13.289 1.00 10.00 N ATOM 1248 CA MET A 80 -9.590 -14.991 -12.811 1.00 10.00 C ATOM 1249 C MET A 80 -9.404 -14.001 -13.979 1.00 10.00 C ATOM 1250 O MET A 80 -8.297 -13.856 -14.510 1.00 10.00 O ATOM 1251 CB MET A 80 -8.564 -14.759 -11.689 1.00 10.00 C ATOM 1252 CG MET A 80 -8.559 -13.328 -11.154 1.00 10.00 C ATOM 1253 SD MET A 80 -7.583 -13.153 -9.638 1.00 10.00 S ATOM 1254 CE MET A 80 -7.082 -11.424 -9.803 1.00 10.00 C ATOM 0 H MET A 80 -8.824 -16.941 -12.737 1.00 10.00 H new ATOM 0 HA MET A 80 -10.588 -14.820 -12.406 1.00 10.00 H new ATOM 0 HB2 MET A 80 -8.774 -15.445 -10.868 1.00 10.00 H new ATOM 0 HB3 MET A 80 -7.569 -15.003 -12.061 1.00 10.00 H new ATOM 0 HG2 MET A 80 -8.160 -12.660 -11.917 1.00 10.00 H new ATOM 0 HG3 MET A 80 -9.584 -13.013 -10.960 1.00 10.00 H new ATOM 0 HE1 MET A 80 -6.638 -11.083 -8.868 1.00 10.00 H new ATOM 0 HE2 MET A 80 -6.351 -11.332 -10.607 1.00 10.00 H new ATOM 0 HE3 MET A 80 -7.954 -10.813 -10.034 1.00 10.00 H new ATOM 1264 N ILE A 81 -10.489 -13.355 -14.428 1.00 10.00 N ATOM 1265 CA ILE A 81 -10.513 -12.457 -15.594 1.00 10.00 C ATOM 1266 C ILE A 81 -9.933 -11.073 -15.224 1.00 10.00 C ATOM 1267 O ILE A 81 -10.595 -10.043 -15.336 1.00 10.00 O ATOM 1268 CB ILE A 81 -11.925 -12.368 -16.244 1.00 10.00 C ATOM 1269 CG1 ILE A 81 -12.652 -13.727 -16.405 1.00 10.00 C ATOM 1270 CG2 ILE A 81 -11.792 -11.765 -17.659 1.00 10.00 C ATOM 1271 CD1 ILE A 81 -13.540 -14.112 -15.212 1.00 10.00 C ATOM 0 H ILE A 81 -11.400 -13.444 -13.978 1.00 10.00 H new ATOM 0 HA ILE A 81 -9.869 -12.885 -16.362 1.00 10.00 H new ATOM 0 HB ILE A 81 -12.516 -11.755 -15.564 1.00 10.00 H new ATOM 0 HG12 ILE A 81 -13.266 -13.693 -17.305 1.00 10.00 H new ATOM 0 HG13 ILE A 81 -11.908 -14.509 -16.557 1.00 10.00 H new ATOM 0 HG21 ILE A 81 -12.777 -11.700 -18.121 1.00 10.00 H new ATOM 0 HG22 ILE A 81 -11.357 -10.768 -17.590 1.00 10.00 H new ATOM 0 HG23 ILE A 81 -11.148 -12.401 -18.267 1.00 10.00 H new ATOM 0 HD11 ILE A 81 -14.012 -15.075 -15.405 1.00 10.00 H new ATOM 0 HD12 ILE A 81 -12.930 -14.181 -14.312 1.00 10.00 H new ATOM 0 HD13 ILE A 81 -14.310 -13.353 -15.071 1.00 10.00 H new ATOM 1283 N PHE A 82 -8.672 -11.049 -14.774 1.00 10.00 N ATOM 1284 CA PHE A 82 -7.970 -9.836 -14.350 1.00 10.00 C ATOM 1285 C PHE A 82 -6.452 -10.085 -14.302 1.00 10.00 C ATOM 1286 O PHE A 82 -5.918 -10.586 -13.315 1.00 10.00 O ATOM 1287 CB PHE A 82 -8.524 -9.356 -12.994 1.00 10.00 C ATOM 1288 CG PHE A 82 -8.193 -7.920 -12.640 1.00 10.00 C ATOM 1289 CD1 PHE A 82 -8.466 -6.875 -13.545 1.00 10.00 C ATOM 1290 CD2 PHE A 82 -7.654 -7.625 -11.379 1.00 10.00 C ATOM 1291 CE1 PHE A 82 -8.163 -5.547 -13.203 1.00 10.00 C ATOM 1292 CE2 PHE A 82 -7.358 -6.294 -11.030 1.00 10.00 C ATOM 1293 CZ PHE A 82 -7.616 -5.256 -11.942 1.00 10.00 C ATOM 0 H PHE A 82 -8.102 -11.891 -14.694 1.00 10.00 H new ATOM 0 HA PHE A 82 -8.143 -9.042 -15.077 1.00 10.00 H new ATOM 0 HB2 PHE A 82 -9.608 -9.473 -12.999 1.00 10.00 H new ATOM 0 HB3 PHE A 82 -8.137 -10.006 -12.210 1.00 10.00 H new ATOM 0 HD1 PHE A 82 -8.910 -7.096 -14.505 1.00 10.00 H new ATOM 0 HD2 PHE A 82 -7.466 -8.421 -10.674 1.00 10.00 H new ATOM 0 HE1 PHE A 82 -8.350 -4.751 -13.908 1.00 10.00 H new ATOM 0 HE2 PHE A 82 -6.933 -6.070 -10.063 1.00 10.00 H new ATOM 0 HZ PHE A 82 -7.394 -4.234 -11.673 1.00 10.00 H new ATOM 1303 N ALA A 83 -5.761 -9.788 -15.411 1.00 10.00 N ATOM 1304 CA ALA A 83 -4.340 -10.098 -15.609 1.00 10.00 C ATOM 1305 C ALA A 83 -3.351 -9.189 -14.850 1.00 10.00 C ATOM 1306 O ALA A 83 -2.178 -9.540 -14.751 1.00 10.00 O ATOM 1307 CB ALA A 83 -4.045 -10.052 -17.113 1.00 10.00 C ATOM 0 H ALA A 83 -6.183 -9.316 -16.211 1.00 10.00 H new ATOM 0 HA ALA A 83 -4.179 -11.090 -15.186 1.00 10.00 H new ATOM 0 HB1 ALA A 83 -2.993 -10.280 -17.285 1.00 10.00 H new ATOM 0 HB2 ALA A 83 -4.664 -10.787 -17.628 1.00 10.00 H new ATOM 0 HB3 ALA A 83 -4.268 -9.057 -17.497 1.00 10.00 H new ATOM 1313 N GLY A 84 -3.800 -8.043 -14.330 1.00 10.00 N ATOM 1314 CA GLY A 84 -2.983 -7.093 -13.577 1.00 10.00 C ATOM 1315 C GLY A 84 -3.811 -5.888 -13.125 1.00 10.00 C ATOM 1316 O GLY A 84 -4.871 -5.619 -13.691 1.00 10.00 O ATOM 0 H GLY A 84 -4.771 -7.744 -14.425 1.00 10.00 H new ATOM 0 HA2 GLY A 84 -2.553 -7.589 -12.707 1.00 10.00 H new ATOM 0 HA3 GLY A 84 -2.151 -6.755 -14.195 1.00 10.00 H new ATOM 1320 N ILE A 85 -3.334 -5.176 -12.095 1.00 10.00 N ATOM 1321 CA ILE A 85 -4.113 -4.153 -11.380 1.00 10.00 C ATOM 1322 C ILE A 85 -3.867 -2.713 -11.873 1.00 10.00 C ATOM 1323 O ILE A 85 -4.516 -2.280 -12.825 1.00 10.00 O ATOM 1324 CB ILE A 85 -4.057 -4.409 -9.854 1.00 10.00 C ATOM 1325 CG1 ILE A 85 -5.065 -3.524 -9.089 1.00 10.00 C ATOM 1326 CG2 ILE A 85 -2.652 -4.322 -9.233 1.00 10.00 C ATOM 1327 CD1 ILE A 85 -5.225 -3.953 -7.627 1.00 10.00 C ATOM 0 H ILE A 85 -2.389 -5.294 -11.731 1.00 10.00 H new ATOM 0 HA ILE A 85 -5.166 -4.259 -11.641 1.00 10.00 H new ATOM 0 HB ILE A 85 -4.351 -5.452 -9.740 1.00 10.00 H new ATOM 0 HG12 ILE A 85 -4.735 -2.486 -9.126 1.00 10.00 H new ATOM 0 HG13 ILE A 85 -6.034 -3.568 -9.586 1.00 10.00 H new ATOM 0 HG21 ILE A 85 -2.715 -4.516 -8.162 1.00 10.00 H new ATOM 0 HG22 ILE A 85 -2.002 -5.063 -9.698 1.00 10.00 H new ATOM 0 HG23 ILE A 85 -2.242 -3.325 -9.398 1.00 10.00 H new ATOM 0 HD11 ILE A 85 -5.944 -3.300 -7.133 1.00 10.00 H new ATOM 0 HD12 ILE A 85 -5.582 -4.982 -7.587 1.00 10.00 H new ATOM 0 HD13 ILE A 85 -4.263 -3.883 -7.120 1.00 10.00 H new ATOM 1339 N LYS A 86 -2.984 -1.940 -11.224 1.00 10.00 N ATOM 1340 CA LYS A 86 -2.778 -0.503 -11.470 1.00 10.00 C ATOM 1341 C LYS A 86 -1.312 -0.113 -11.251 1.00 10.00 C ATOM 1342 O LYS A 86 -0.879 0.053 -10.110 1.00 10.00 O ATOM 1343 CB LYS A 86 -3.692 0.347 -10.556 1.00 10.00 C ATOM 1344 CG LYS A 86 -5.219 0.236 -10.746 1.00 10.00 C ATOM 1345 CD LYS A 86 -5.802 1.122 -11.858 1.00 10.00 C ATOM 1346 CE LYS A 86 -5.405 0.686 -13.272 1.00 10.00 C ATOM 1347 NZ LYS A 86 -6.000 1.578 -14.291 1.00 10.00 N ATOM 0 H LYS A 86 -2.375 -2.307 -10.492 1.00 10.00 H new ATOM 0 HA LYS A 86 -3.039 -0.304 -12.510 1.00 10.00 H new ATOM 0 HB2 LYS A 86 -3.465 0.085 -9.522 1.00 10.00 H new ATOM 0 HB3 LYS A 86 -3.415 1.393 -10.688 1.00 10.00 H new ATOM 0 HG2 LYS A 86 -5.468 -0.803 -10.962 1.00 10.00 H new ATOM 0 HG3 LYS A 86 -5.706 0.492 -9.805 1.00 10.00 H new ATOM 0 HD2 LYS A 86 -6.889 1.119 -11.779 1.00 10.00 H new ATOM 0 HD3 LYS A 86 -5.474 2.149 -11.700 1.00 10.00 H new ATOM 0 HE2 LYS A 86 -4.319 0.694 -13.367 1.00 10.00 H new ATOM 0 HE3 LYS A 86 -5.733 -0.339 -13.445 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 -5.715 1.260 -15.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 -7.037 1.551 -14.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 -5.667 2.551 -14.138 1.00 10.00 H new ATOM 1361 N LYS A 87 -0.576 0.077 -12.358 1.00 10.00 N ATOM 1362 CA LYS A 87 0.859 0.408 -12.484 1.00 10.00 C ATOM 1363 C LYS A 87 1.789 -0.451 -11.610 1.00 10.00 C ATOM 1364 O LYS A 87 2.449 -1.332 -12.147 1.00 10.00 O ATOM 1365 CB LYS A 87 1.057 1.924 -12.276 1.00 10.00 C ATOM 1366 CG LYS A 87 0.343 2.750 -13.366 1.00 10.00 C ATOM 1367 CD LYS A 87 0.291 4.255 -13.066 1.00 10.00 C ATOM 1368 CE LYS A 87 -0.599 4.557 -11.847 1.00 10.00 C ATOM 1369 NZ LYS A 87 -1.622 5.585 -12.145 1.00 10.00 N ATOM 0 H LYS A 87 -1.009 -0.004 -13.278 1.00 10.00 H new ATOM 0 HA LYS A 87 1.165 0.150 -13.498 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.676 2.209 -11.296 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.122 2.156 -12.283 1.00 10.00 H new ATOM 0 HG2 LYS A 87 0.852 2.596 -14.318 1.00 10.00 H new ATOM 0 HG3 LYS A 87 -0.674 2.377 -13.484 1.00 10.00 H new ATOM 0 HD2 LYS A 87 1.300 4.625 -12.882 1.00 10.00 H new ATOM 0 HD3 LYS A 87 -0.090 4.788 -13.937 1.00 10.00 H new ATOM 0 HE2 LYS A 87 -1.091 3.640 -11.522 1.00 10.00 H new ATOM 0 HE3 LYS A 87 0.024 4.895 -11.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 -2.199 5.757 -11.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 -1.153 6.469 -12.430 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 -2.234 5.252 -12.918 1.00 10.00 H new ATOM 1383 N LYS A 88 1.808 -0.217 -10.291 1.00 10.00 N ATOM 1384 CA LYS A 88 2.230 -1.174 -9.250 1.00 10.00 C ATOM 1385 C LYS A 88 1.783 -0.762 -7.844 1.00 10.00 C ATOM 1386 O LYS A 88 1.545 -1.635 -7.018 1.00 10.00 O ATOM 1387 CB LYS A 88 3.751 -1.446 -9.271 1.00 10.00 C ATOM 1388 CG LYS A 88 4.649 -0.233 -8.951 1.00 10.00 C ATOM 1389 CD LYS A 88 5.645 -0.564 -7.831 1.00 10.00 C ATOM 1390 CE LYS A 88 6.475 0.672 -7.464 1.00 10.00 C ATOM 1391 NZ LYS A 88 7.276 0.432 -6.241 1.00 10.00 N ATOM 0 H LYS A 88 1.519 0.680 -9.900 1.00 10.00 H new ATOM 0 HA LYS A 88 1.720 -2.104 -9.500 1.00 10.00 H new ATOM 0 HB2 LYS A 88 3.971 -2.237 -8.554 1.00 10.00 H new ATOM 0 HB3 LYS A 88 4.021 -1.825 -10.257 1.00 10.00 H new ATOM 0 HG2 LYS A 88 5.191 0.068 -9.847 1.00 10.00 H new ATOM 0 HG3 LYS A 88 4.030 0.613 -8.653 1.00 10.00 H new ATOM 0 HD2 LYS A 88 5.107 -0.921 -6.953 1.00 10.00 H new ATOM 0 HD3 LYS A 88 6.305 -1.370 -8.151 1.00 10.00 H new ATOM 0 HE2 LYS A 88 7.137 0.928 -8.291 1.00 10.00 H new ATOM 0 HE3 LYS A 88 5.814 1.525 -7.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 7.496 1.341 -5.786 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 6.734 -0.163 -5.582 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 8.161 -0.051 -6.495 1.00 10.00 H new ATOM 1405 N THR A 89 1.632 0.541 -7.571 1.00 10.00 N ATOM 1406 CA THR A 89 1.380 1.093 -6.233 1.00 10.00 C ATOM 1407 C THR A 89 0.191 0.433 -5.541 1.00 10.00 C ATOM 1408 O THR A 89 0.363 -0.110 -4.457 1.00 10.00 O ATOM 1409 CB THR A 89 1.194 2.614 -6.301 1.00 10.00 C ATOM 1410 OG1 THR A 89 2.222 3.168 -7.092 1.00 10.00 O ATOM 1411 CG2 THR A 89 1.267 3.264 -4.920 1.00 10.00 C ATOM 0 H THR A 89 1.683 1.259 -8.294 1.00 10.00 H new ATOM 0 HA THR A 89 2.259 0.872 -5.628 1.00 10.00 H new ATOM 0 HB THR A 89 0.209 2.804 -6.726 1.00 10.00 H new ATOM 0 HG1 THR A 89 2.109 4.140 -7.142 1.00 10.00 H new ATOM 0 HG21 THR A 89 1.130 4.341 -5.017 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.483 2.854 -4.283 1.00 10.00 H new ATOM 0 HG23 THR A 89 2.240 3.061 -4.473 1.00 10.00 H new ATOM 1419 N GLU A 90 -0.981 0.366 -6.187 1.00 10.00 N ATOM 1420 CA GLU A 90 -2.169 -0.247 -5.579 1.00 10.00 C ATOM 1421 C GLU A 90 -1.944 -1.715 -5.194 1.00 10.00 C ATOM 1422 O GLU A 90 -2.577 -2.198 -4.262 1.00 10.00 O ATOM 1423 CB GLU A 90 -3.357 -0.171 -6.546 1.00 10.00 C ATOM 1424 CG GLU A 90 -3.949 1.235 -6.754 1.00 10.00 C ATOM 1425 CD GLU A 90 -4.835 1.719 -5.594 1.00 10.00 C ATOM 1426 OE1 GLU A 90 -4.511 1.450 -4.415 1.00 10.00 O ATOM 1427 OE2 GLU A 90 -5.848 2.407 -5.861 1.00 10.00 O ATOM 0 H GLU A 90 -1.131 0.728 -7.129 1.00 10.00 H new ATOM 0 HA GLU A 90 -2.377 0.315 -4.668 1.00 10.00 H new ATOM 0 HB2 GLU A 90 -3.042 -0.561 -7.514 1.00 10.00 H new ATOM 0 HB3 GLU A 90 -4.145 -0.828 -6.179 1.00 10.00 H new ATOM 0 HG2 GLU A 90 -3.133 1.944 -6.895 1.00 10.00 H new ATOM 0 HG3 GLU A 90 -4.536 1.238 -7.672 1.00 10.00 H new ATOM 1434 N ARG A 91 -1.024 -2.425 -5.870 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.664 -3.805 -5.540 1.00 10.00 C ATOM 1436 C ARG A 91 0.213 -3.892 -4.286 1.00 10.00 C ATOM 1437 O ARG A 91 0.236 -4.931 -3.633 1.00 10.00 O ATOM 1438 CB ARG A 91 0.007 -4.457 -6.764 1.00 10.00 C ATOM 1439 CG ARG A 91 0.011 -5.999 -6.733 1.00 10.00 C ATOM 1440 CD ARG A 91 1.434 -6.549 -6.611 1.00 10.00 C ATOM 1441 NE ARG A 91 2.062 -6.122 -5.351 1.00 10.00 N ATOM 1442 CZ ARG A 91 3.262 -5.585 -5.175 1.00 10.00 C ATOM 1443 NH1 ARG A 91 4.150 -5.439 -6.128 1.00 10.00 N ATOM 1444 NH2 ARG A 91 3.598 -5.194 -3.970 1.00 10.00 N ATOM 0 H ARG A 91 -0.508 -2.050 -6.666 1.00 10.00 H new ATOM 0 HA ARG A 91 -1.573 -4.357 -5.299 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -0.506 -4.124 -7.666 1.00 10.00 H new ATOM 0 HB3 ARG A 91 1.036 -4.103 -6.833 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.590 -6.350 -5.894 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.454 -6.384 -7.641 1.00 10.00 H new ATOM 0 HD2 ARG A 91 1.411 -7.638 -6.659 1.00 10.00 H new ATOM 0 HD3 ARG A 91 2.033 -6.205 -7.454 1.00 10.00 H new ATOM 0 HE ARG A 91 1.505 -6.256 -4.507 1.00 10.00 H new ATOM 0 HH11 ARG A 91 3.936 -5.748 -7.076 1.00 10.00 H new ATOM 0 HH12 ARG A 91 5.055 -5.017 -5.921 1.00 10.00 H new ATOM 0 HH21 ARG A 91 2.943 -5.306 -3.196 1.00 10.00 H new ATOM 0 HH22 ARG A 91 4.515 -4.778 -3.806 1.00 10.00 H new ATOM 1458 N GLU A 92 0.935 -2.833 -3.920 1.00 10.00 N ATOM 1459 CA GLU A 92 1.606 -2.731 -2.620 1.00 10.00 C ATOM 1460 C GLU A 92 0.572 -2.560 -1.507 1.00 10.00 C ATOM 1461 O GLU A 92 0.558 -3.341 -0.560 1.00 10.00 O ATOM 1462 CB GLU A 92 2.572 -1.544 -2.592 1.00 10.00 C ATOM 1463 CG GLU A 92 3.674 -1.547 -3.657 1.00 10.00 C ATOM 1464 CD GLU A 92 4.530 -0.272 -3.609 1.00 10.00 C ATOM 1465 OE1 GLU A 92 4.196 0.656 -2.834 1.00 10.00 O ATOM 1466 OE2 GLU A 92 5.521 -0.234 -4.375 1.00 10.00 O ATOM 0 H GLU A 92 1.073 -2.018 -4.517 1.00 10.00 H new ATOM 0 HA GLU A 92 2.171 -3.650 -2.463 1.00 10.00 H new ATOM 0 HB2 GLU A 92 1.992 -0.627 -2.700 1.00 10.00 H new ATOM 0 HB3 GLU A 92 3.044 -1.509 -1.610 1.00 10.00 H new ATOM 0 HG2 GLU A 92 4.314 -2.418 -3.513 1.00 10.00 H new ATOM 0 HG3 GLU A 92 3.223 -1.643 -4.644 1.00 10.00 H new ATOM 1473 N ASP A 93 -0.299 -1.556 -1.653 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.375 -1.212 -0.725 1.00 10.00 C ATOM 1475 C ASP A 93 -2.295 -2.421 -0.494 1.00 10.00 C ATOM 1476 O ASP A 93 -2.561 -2.803 0.643 1.00 10.00 O ATOM 1477 CB ASP A 93 -2.118 0.018 -1.289 1.00 10.00 C ATOM 1478 CG ASP A 93 -1.235 1.274 -1.291 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -0.177 1.261 -1.957 1.00 10.00 O ATOM 1480 OD2 ASP A 93 -1.516 2.224 -0.525 1.00 10.00 O ATOM 0 H ASP A 93 -0.269 -0.933 -2.460 1.00 10.00 H new ATOM 0 HA ASP A 93 -0.978 -0.952 0.256 1.00 10.00 H new ATOM 0 HB2 ASP A 93 -2.449 -0.194 -2.306 1.00 10.00 H new ATOM 0 HB3 ASP A 93 -3.012 0.205 -0.695 1.00 10.00 H new ATOM 1485 N LEU A 94 -2.708 -3.091 -1.572 1.00 10.00 N ATOM 1486 CA LEU A 94 -3.452 -4.348 -1.562 1.00 10.00 C ATOM 1487 C LEU A 94 -2.743 -5.483 -0.806 1.00 10.00 C ATOM 1488 O LEU A 94 -3.385 -6.153 0.005 1.00 10.00 O ATOM 1489 CB LEU A 94 -3.696 -4.717 -3.031 1.00 10.00 C ATOM 1490 CG LEU A 94 -4.358 -6.073 -3.274 1.00 10.00 C ATOM 1491 CD1 LEU A 94 -5.805 -6.065 -2.797 1.00 10.00 C ATOM 1492 CD2 LEU A 94 -4.297 -6.393 -4.769 1.00 10.00 C ATOM 0 H LEU A 94 -2.524 -2.755 -2.517 1.00 10.00 H new ATOM 0 HA LEU A 94 -4.387 -4.212 -1.018 1.00 10.00 H new ATOM 0 HB2 LEU A 94 -4.318 -3.944 -3.482 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -2.740 -4.702 -3.554 1.00 10.00 H new ATOM 0 HG LEU A 94 -3.825 -6.837 -2.709 1.00 10.00 H new ATOM 0 HD11 LEU A 94 -6.254 -7.041 -2.981 1.00 10.00 H new ATOM 0 HD12 LEU A 94 -5.835 -5.847 -1.729 1.00 10.00 H new ATOM 0 HD13 LEU A 94 -6.363 -5.301 -3.339 1.00 10.00 H new ATOM 0 HD21 LEU A 94 -4.767 -7.359 -4.954 1.00 10.00 H new ATOM 0 HD22 LEU A 94 -4.824 -5.620 -5.328 1.00 10.00 H new ATOM 0 HD23 LEU A 94 -3.256 -6.428 -5.091 1.00 10.00 H new ATOM 1504 N ILE A 95 -1.448 -5.724 -1.065 1.00 10.00 N ATOM 1505 CA ILE A 95 -0.661 -6.729 -0.331 1.00 10.00 C ATOM 1506 C ILE A 95 -0.597 -6.358 1.157 1.00 10.00 C ATOM 1507 O ILE A 95 -0.829 -7.224 2.000 1.00 10.00 O ATOM 1508 CB ILE A 95 0.738 -6.914 -0.973 1.00 10.00 C ATOM 1509 CG1 ILE A 95 0.672 -7.702 -2.308 1.00 10.00 C ATOM 1510 CG2 ILE A 95 1.764 -7.569 -0.030 1.00 10.00 C ATOM 1511 CD1 ILE A 95 0.311 -9.190 -2.230 1.00 10.00 C ATOM 0 H ILE A 95 -0.919 -5.231 -1.785 1.00 10.00 H new ATOM 0 HA ILE A 95 -1.154 -7.699 -0.399 1.00 10.00 H new ATOM 0 HB ILE A 95 1.085 -5.901 -1.180 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -0.057 -7.212 -2.953 1.00 10.00 H new ATOM 0 HG13 ILE A 95 1.641 -7.616 -2.799 1.00 10.00 H new ATOM 0 HG21 ILE A 95 2.720 -7.668 -0.544 1.00 10.00 H new ATOM 0 HG22 ILE A 95 1.891 -6.948 0.857 1.00 10.00 H new ATOM 0 HG23 ILE A 95 1.408 -8.556 0.266 1.00 10.00 H new ATOM 0 HD11 ILE A 95 0.301 -9.615 -3.234 1.00 10.00 H new ATOM 0 HD12 ILE A 95 1.050 -9.712 -1.622 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -0.675 -9.302 -1.779 1.00 10.00 H new ATOM 1523 N ALA A 96 -0.351 -5.082 1.487 1.00 10.00 N ATOM 1524 CA ALA A 96 -0.368 -4.585 2.863 1.00 10.00 C ATOM 1525 C ALA A 96 -1.727 -4.826 3.541 1.00 10.00 C ATOM 1526 O ALA A 96 -1.776 -5.366 4.648 1.00 10.00 O ATOM 1527 CB ALA A 96 0.038 -3.106 2.883 1.00 10.00 C ATOM 0 H ALA A 96 -0.133 -4.363 0.797 1.00 10.00 H new ATOM 0 HA ALA A 96 0.361 -5.147 3.447 1.00 10.00 H new ATOM 0 HB1 ALA A 96 0.024 -2.739 3.909 1.00 10.00 H new ATOM 0 HB2 ALA A 96 1.042 -2.999 2.473 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -0.664 -2.528 2.281 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.829 -4.493 2.855 1.00 10.00 N ATOM 1534 CA TYR A 97 -4.182 -4.818 3.296 1.00 10.00 C ATOM 1535 C TYR A 97 -4.354 -6.318 3.539 1.00 10.00 C ATOM 1536 O TYR A 97 -4.664 -6.701 4.661 1.00 10.00 O ATOM 1537 CB TYR A 97 -5.228 -4.272 2.316 1.00 10.00 C ATOM 1538 CG TYR A 97 -6.604 -4.905 2.438 1.00 10.00 C ATOM 1539 CD1 TYR A 97 -7.249 -5.022 3.689 1.00 10.00 C ATOM 1540 CD2 TYR A 97 -7.194 -5.480 1.298 1.00 10.00 C ATOM 1541 CE1 TYR A 97 -8.461 -5.730 3.790 1.00 10.00 C ATOM 1542 CE2 TYR A 97 -8.393 -6.200 1.415 1.00 10.00 C ATOM 1543 CZ TYR A 97 -9.037 -6.321 2.656 1.00 10.00 C ATOM 1544 OH TYR A 97 -10.189 -7.030 2.769 1.00 10.00 O ATOM 0 H TYR A 97 -2.800 -3.986 1.971 1.00 10.00 H new ATOM 0 HA TYR A 97 -4.344 -4.325 4.255 1.00 10.00 H new ATOM 0 HB2 TYR A 97 -5.323 -3.197 2.469 1.00 10.00 H new ATOM 0 HB3 TYR A 97 -4.864 -4.419 1.299 1.00 10.00 H new ATOM 0 HD1 TYR A 97 -6.813 -4.569 4.567 1.00 10.00 H new ATOM 0 HD2 TYR A 97 -6.724 -5.367 0.332 1.00 10.00 H new ATOM 0 HE1 TYR A 97 -8.951 -5.819 4.748 1.00 10.00 H new ATOM 0 HE2 TYR A 97 -8.824 -6.666 0.541 1.00 10.00 H new ATOM 0 HH TYR A 97 -10.451 -7.370 1.888 1.00 10.00 H new ATOM 1554 N LEU A 98 -4.168 -7.180 2.533 1.00 10.00 N ATOM 1555 CA LEU A 98 -4.480 -8.604 2.689 1.00 10.00 C ATOM 1556 C LEU A 98 -3.510 -9.359 3.613 1.00 10.00 C ATOM 1557 O LEU A 98 -3.916 -10.348 4.223 1.00 10.00 O ATOM 1558 CB LEU A 98 -4.626 -9.276 1.323 1.00 10.00 C ATOM 1559 CG LEU A 98 -5.864 -8.791 0.549 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -5.794 -9.271 -0.895 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -7.167 -9.323 1.158 1.00 10.00 C ATOM 0 H LEU A 98 -3.808 -6.921 1.614 1.00 10.00 H new ATOM 0 HA LEU A 98 -5.441 -8.657 3.201 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -3.733 -9.081 0.730 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -4.688 -10.356 1.459 1.00 10.00 H new ATOM 0 HG LEU A 98 -5.865 -7.702 0.602 1.00 10.00 H new ATOM 0 HD11 LEU A 98 -6.674 -8.924 -1.437 1.00 10.00 H new ATOM 0 HD12 LEU A 98 -4.896 -8.873 -1.368 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -5.762 -10.360 -0.915 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -8.015 -8.956 0.580 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -7.159 -10.413 1.139 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -7.254 -8.979 2.189 1.00 10.00 H new ATOM 1573 N LYS A 99 -2.289 -8.845 3.825 1.00 10.00 N ATOM 1574 CA LYS A 99 -1.451 -9.198 4.976 1.00 10.00 C ATOM 1575 C LYS A 99 -2.220 -8.959 6.275 1.00 10.00 C ATOM 1576 O LYS A 99 -2.445 -9.901 7.043 1.00 10.00 O ATOM 1577 CB LYS A 99 -0.108 -8.445 4.892 1.00 10.00 C ATOM 1578 CG LYS A 99 0.737 -8.446 6.176 1.00 10.00 C ATOM 1579 CD LYS A 99 1.236 -9.824 6.640 1.00 10.00 C ATOM 1580 CE LYS A 99 2.300 -10.453 5.729 1.00 10.00 C ATOM 1581 NZ LYS A 99 3.488 -9.590 5.562 1.00 10.00 N ATOM 0 H LYS A 99 -1.855 -8.169 3.197 1.00 10.00 H new ATOM 0 HA LYS A 99 -1.207 -10.260 4.963 1.00 10.00 H new ATOM 0 HB2 LYS A 99 0.484 -8.884 4.089 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -0.309 -7.411 4.612 1.00 10.00 H new ATOM 0 HG2 LYS A 99 1.601 -7.799 6.022 1.00 10.00 H new ATOM 0 HG3 LYS A 99 0.147 -8.004 6.979 1.00 10.00 H new ATOM 0 HD2 LYS A 99 1.646 -9.729 7.645 1.00 10.00 H new ATOM 0 HD3 LYS A 99 0.385 -10.502 6.706 1.00 10.00 H new ATOM 0 HE2 LYS A 99 2.608 -11.412 6.145 1.00 10.00 H new ATOM 0 HE3 LYS A 99 1.862 -10.655 4.751 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 4.336 -10.183 5.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 3.372 -9.000 4.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 3.593 -8.979 6.397 1.00 10.00 H new ATOM 1595 N LYS A 100 -2.640 -7.710 6.507 1.00 10.00 N ATOM 1596 CA LYS A 100 -3.427 -7.317 7.683 1.00 10.00 C ATOM 1597 C LYS A 100 -4.790 -8.018 7.766 1.00 10.00 C ATOM 1598 O LYS A 100 -5.198 -8.321 8.875 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.559 -5.782 7.802 1.00 10.00 C ATOM 1600 CG LYS A 100 -2.956 -5.230 9.111 1.00 10.00 C ATOM 1601 CD LYS A 100 -3.707 -5.686 10.374 1.00 10.00 C ATOM 1602 CE LYS A 100 -3.091 -5.135 11.664 1.00 10.00 C ATOM 1603 NZ LYS A 100 -3.499 -5.943 12.840 1.00 10.00 N ATOM 0 H LYS A 100 -2.441 -6.934 5.876 1.00 10.00 H new ATOM 0 HA LYS A 100 -2.862 -7.665 8.548 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.063 -5.312 6.952 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -4.612 -5.507 7.748 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -1.915 -5.545 9.183 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -2.957 -4.141 9.071 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.747 -5.366 10.308 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -3.711 -6.775 10.415 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -2.004 -5.133 11.580 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -3.401 -4.100 11.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -3.431 -5.363 13.700 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -4.480 -6.265 12.716 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -2.872 -6.768 12.929 1.00 10.00 H new ATOM 1617 N ALA A 101 -5.421 -8.422 6.658 1.00 10.00 N ATOM 1618 CA ALA A 101 -6.678 -9.187 6.646 1.00 10.00 C ATOM 1619 C ALA A 101 -6.617 -10.539 7.387 1.00 10.00 C ATOM 1620 O ALA A 101 -7.654 -11.115 7.700 1.00 10.00 O ATOM 1621 CB ALA A 101 -7.160 -9.364 5.203 1.00 10.00 C ATOM 0 H ALA A 101 -5.066 -8.223 5.723 1.00 10.00 H new ATOM 0 HA ALA A 101 -7.400 -8.598 7.212 1.00 10.00 H new ATOM 0 HB1 ALA A 101 -8.091 -9.931 5.197 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -7.328 -8.386 4.753 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -6.404 -9.902 4.630 1.00 10.00 H new ATOM 1627 N THR A 102 -5.417 -11.032 7.716 1.00 10.00 N ATOM 1628 CA THR A 102 -5.218 -12.150 8.657 1.00 10.00 C ATOM 1629 C THR A 102 -5.418 -11.792 10.138 1.00 10.00 C ATOM 1630 O THR A 102 -5.591 -12.699 10.948 1.00 10.00 O ATOM 1631 CB THR A 102 -3.805 -12.741 8.524 1.00 10.00 C ATOM 1632 OG1 THR A 102 -2.808 -11.768 8.769 1.00 10.00 O ATOM 1633 CG2 THR A 102 -3.563 -13.352 7.150 1.00 10.00 C ATOM 0 H THR A 102 -4.545 -10.665 7.334 1.00 10.00 H new ATOM 0 HA THR A 102 -5.990 -12.866 8.375 1.00 10.00 H new ATOM 0 HB THR A 102 -3.740 -13.527 9.276 1.00 10.00 H new ATOM 0 HG1 THR A 102 -2.732 -11.175 7.993 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.552 -13.756 7.105 1.00 10.00 H new ATOM 0 HG22 THR A 102 -4.282 -14.153 6.976 1.00 10.00 H new ATOM 0 HG23 THR A 102 -3.682 -12.585 6.385 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.333 -10.508 10.516 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.168 -10.056 11.902 1.00 10.00 C ATOM 1643 C ASN A 103 -5.668 -8.611 12.191 1.00 10.00 C ATOM 1644 O ASN A 103 -5.270 -8.013 13.193 1.00 10.00 O ATOM 1645 CB ASN A 103 -3.690 -10.282 12.297 1.00 10.00 C ATOM 1646 CG ASN A 103 -2.693 -9.336 11.645 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -2.336 -8.299 12.186 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -2.170 -9.666 10.484 1.00 10.00 N ATOM 0 H ASN A 103 -5.378 -9.738 9.849 1.00 10.00 H new ATOM 0 HA ASN A 103 -5.824 -10.653 12.535 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -3.601 -10.188 13.379 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -3.415 -11.306 12.043 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -1.476 -9.060 10.046 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -2.458 -10.528 10.021 1.00 10.00 H new ATOM 1655 N GLU A 104 -6.477 -8.012 11.308 1.00 10.00 N ATOM 1656 CA GLU A 104 -7.148 -6.709 11.477 1.00 10.00 C ATOM 1657 C GLU A 104 -8.347 -6.749 12.433 1.00 10.00 C ATOM 1658 O GLU A 104 -8.436 -5.780 13.221 1.00 10.00 O ATOM 1659 CB GLU A 104 -7.496 -6.084 10.108 1.00 10.00 C ATOM 1660 CG GLU A 104 -8.453 -6.862 9.187 1.00 10.00 C ATOM 1661 CD GLU A 104 -8.484 -6.286 7.751 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -7.409 -5.892 7.237 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -9.576 -6.285 7.138 1.00 10.00 O ATOM 1664 OXT GLU A 104 -9.121 -7.729 12.384 1.00 10.00 O ATOM 0 H GLU A 104 -6.695 -8.442 10.409 1.00 10.00 H new ATOM 0 HA GLU A 104 -6.430 -6.053 11.968 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -7.931 -5.101 10.289 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -6.564 -5.925 9.566 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -8.148 -7.908 9.150 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -9.458 -6.838 9.608 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 -9.260 -13.317 -7.547 1.00 10.00 FE HETATM 1673 CHA HEC A 105 -8.137 -16.500 -7.177 1.00 10.00 C HETATM 1674 CHB HEC A 105 -6.876 -12.232 -5.404 1.00 10.00 C HETATM 1675 CHC HEC A 105 -10.122 -10.150 -8.277 1.00 10.00 C HETATM 1676 CHD HEC A 105 -11.780 -14.460 -9.533 1.00 10.00 C HETATM 1677 NA HEC A 105 -7.867 -14.198 -6.426 1.00 10.00 N HETATM 1678 C1A HEC A 105 -7.471 -15.517 -6.478 1.00 10.00 C HETATM 1679 C2A HEC A 105 -6.291 -15.749 -5.665 1.00 10.00 C HETATM 1680 C3A HEC A 105 -6.006 -14.572 -5.061 1.00 10.00 C HETATM 1681 C4A HEC A 105 -6.943 -13.595 -5.608 1.00 10.00 C HETATM 1682 CMA HEC A 105 -4.852 -14.301 -4.120 1.00 10.00 C HETATM 1683 CAA HEC A 105 -5.489 -17.034 -5.612 1.00 10.00 C HETATM 1684 CBA HEC A 105 -6.143 -18.244 -4.910 1.00 10.00 C HETATM 1685 CGA HEC A 105 -5.595 -19.582 -5.410 1.00 10.00 C HETATM 1686 O1A HEC A 105 -5.609 -19.777 -6.646 1.00 10.00 O HETATM 1687 O2A HEC A 105 -5.153 -20.383 -4.557 1.00 10.00 O HETATM 1688 NB HEC A 105 -8.712 -11.566 -6.885 1.00 10.00 N HETATM 1689 C1B HEC A 105 -7.723 -11.298 -5.973 1.00 10.00 C HETATM 1690 C2B HEC A 105 -7.632 -9.878 -5.716 1.00 10.00 C HETATM 1691 C3B HEC A 105 -8.489 -9.264 -6.579 1.00 10.00 C HETATM 1692 C4B HEC A 105 -9.151 -10.332 -7.310 1.00 10.00 C HETATM 1693 CMB HEC A 105 -6.709 -9.264 -4.690 1.00 10.00 C HETATM 1694 CAB HEC A 105 -8.723 -7.772 -6.773 1.00 10.00 C HETATM 1695 CBB HEC A 105 -7.525 -7.107 -7.458 1.00 10.00 C HETATM 1696 NC HEC A 105 -10.740 -12.489 -8.540 1.00 10.00 N HETATM 1697 C1C HEC A 105 -10.889 -11.155 -8.823 1.00 10.00 C HETATM 1698 C2C HEC A 105 -12.048 -10.914 -9.659 1.00 10.00 C HETATM 1699 C3C HEC A 105 -12.643 -12.122 -9.831 1.00 10.00 C HETATM 1700 C4C HEC A 105 -11.730 -13.104 -9.270 1.00 10.00 C HETATM 1701 CMC HEC A 105 -12.530 -9.541 -10.087 1.00 10.00 C HETATM 1702 CAC HEC A 105 -14.011 -12.430 -10.405 1.00 10.00 C HETATM 1703 CBC HEC A 105 -14.110 -12.231 -11.924 1.00 10.00 C HETATM 1704 ND HEC A 105 -9.941 -15.115 -8.071 1.00 10.00 N HETATM 1705 C1D HEC A 105 -10.916 -15.396 -9.006 1.00 10.00 C HETATM 1706 C2D HEC A 105 -10.898 -16.800 -9.395 1.00 10.00 C HETATM 1707 C3D HEC A 105 -9.976 -17.393 -8.603 1.00 10.00 C HETATM 1708 C4D HEC A 105 -9.299 -16.321 -7.898 1.00 10.00 C HETATM 1709 CMD HEC A 105 -11.742 -17.445 -10.477 1.00 10.00 C HETATM 1710 CAD HEC A 105 -9.596 -18.857 -8.528 1.00 10.00 C HETATM 1711 CBD HEC A 105 -8.404 -19.215 -9.429 1.00 10.00 C HETATM 1712 CGD HEC A 105 -8.860 -19.808 -10.759 1.00 10.00 C HETATM 1713 O1D HEC A 105 -9.354 -20.957 -10.734 1.00 10.00 O HETATM 1714 O2D HEC A 105 -8.721 -19.099 -11.774 1.00 10.00 O HETATM 0 HMD3 HEC A 105 -12.798 -17.320 -10.238 1.00 10.00 H new HETATM 0 HMD2 HEC A 105 -11.529 -16.972 -11.435 1.00 10.00 H new HETATM 0 HMD1 HEC A 105 -11.507 -18.508 -10.537 1.00 10.00 H new HETATM 0 HMC3 HEC A 105 -12.773 -8.949 -9.204 1.00 10.00 H new HETATM 0 HMC2 HEC A 105 -11.746 -9.041 -10.655 1.00 10.00 H new HETATM 0 HMC1 HEC A 105 -13.419 -9.645 -10.710 1.00 10.00 H new HETATM 0 HMB3 HEC A 105 -6.952 -9.654 -3.702 1.00 10.00 H new HETATM 0 HMB2 HEC A 105 -5.676 -9.513 -4.934 1.00 10.00 H new HETATM 0 HMB1 HEC A 105 -6.831 -8.181 -4.692 1.00 10.00 H new HETATM 0 HMA3 HEC A 105 -4.930 -14.955 -3.251 1.00 10.00 H new HETATM 0 HMA2 HEC A 105 -3.910 -14.492 -4.635 1.00 10.00 H new HETATM 0 HMA1 HEC A 105 -4.884 -13.261 -3.795 1.00 10.00 H new HETATM 0 HBD2 HEC A 105 -7.807 -18.322 -9.614 1.00 10.00 H new HETATM 0 HBD1 HEC A 105 -7.760 -19.928 -8.914 1.00 10.00 H new HETATM 0 HBC3 HEC A 105 -13.884 -11.194 -12.171 1.00 10.00 H new HETATM 0 HBC2 HEC A 105 -13.397 -12.886 -12.424 1.00 10.00 H new HETATM 0 HBC1 HEC A 105 -15.119 -12.472 -12.257 1.00 10.00 H new HETATM 0 HBB3 HEC A 105 -6.634 -7.242 -6.845 1.00 10.00 H new HETATM 0 HBB2 HEC A 105 -7.365 -7.563 -8.435 1.00 10.00 H new HETATM 0 HBB1 HEC A 105 -7.722 -6.042 -7.583 1.00 10.00 H new HETATM 0 HBA2 HEC A 105 -5.979 -18.168 -3.835 1.00 10.00 H new HETATM 0 HBA1 HEC A 105 -7.221 -18.214 -5.071 1.00 10.00 H new HETATM 0 HAD2 HEC A 105 -9.354 -19.111 -7.496 1.00 10.00 H new HETATM 0 HAD1 HEC A 105 -10.455 -19.465 -8.813 1.00 10.00 H new HETATM 0 HAA2 HEC A 105 -5.249 -17.325 -6.635 1.00 10.00 H new HETATM 0 HAA1 HEC A 105 -4.544 -16.823 -5.111 1.00 10.00 H new HETATM 0 HHD HEC A 105 -12.560 -14.815 -10.207 1.00 10.00 H new HETATM 0 HHC HEC A 105 -10.293 -9.135 -8.634 1.00 10.00 H new HETATM 0 HHB HEC A 105 -6.093 -11.862 -4.742 1.00 10.00 H new HETATM 0 HHA HEC A 105 -7.710 -17.503 -7.159 1.00 10.00 H new HETATM 0 H2A HEC A 105 -5.044 -21.268 -4.965 1.00 10.00 H new