USER MOD reduce.3.24.130724 H: found=0, std=0, add=1185, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1185 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 1 FME CE :methyl -143:sc= -0.27 (180deg=0) USER MOD Set 1.2: C 42 THR OG1 : rot 72:sc= 0.299 USER MOD Set 2.1: A 42 THR OG1 : rot 70:sc= 0.45 USER MOD Set 2.2: C 1 FME CE :methyl -148:sc= -0.131 (180deg=0) USER MOD Set 3.1: A 1 FME CE :methyl -146:sc= -0.136 (180deg=0) USER MOD Set 3.2: B 42 THR OG1 : rot 71:sc= 0.405 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.11 (180deg=-0.515) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0691 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 1.32 (180deg=1.16) USER MOD Single : A 37 THR OG1 : rot 170:sc= -1.21 USER MOD Single : A 39 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.00898 K(o=0.009,f=-0.75) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.14) USER MOD Single : A 50 HIS : no HD1:sc= -2.95 K(o=-2.9,f=-6.1!) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.13 F(o=-2.4,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 1.13 (180deg=0.988) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.201 USER MOD Single : B 14 LYS NZ :NH3+ -156:sc= -0.135 (180deg=-0.677) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0.0445 USER MOD Single : B 32 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.16) USER MOD Single : B 37 THR OG1 : rot 170:sc= -1.08 USER MOD Single : B 39 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.6) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.0889 K(o=-0.089,f=-0.73) USER MOD Single : B 49 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.08) USER MOD Single : B 50 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-6.1!) USER MOD Single : B 52 ASN :FLIP amide:sc= -0.887 F(o=-2.1,f=-0.89) USER MOD Single : B 53 LYS NZ :NH3+ -159:sc= 1.13 (180deg=0.933) USER MOD Single : C 5 THR OG1 : rot 180:sc= -0.544 USER MOD Single : C 14 LYS NZ :NH3+ -131:sc= -0.11 (180deg=-0.691) USER MOD Single : C 24 THR OG1 : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0.0369 USER MOD Single : C 32 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.2) USER MOD Single : C 37 THR OG1 : rot 170:sc= -1.02 USER MOD Single : C 39 GLN : amide:sc= -0.0471 K(o=-0.047,f=-1.8) USER MOD Single : C 41 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= 0.00274 K(o=0.0027,f=-0.67) USER MOD Single : C 49 LYS NZ :NH3+ -157:sc= 1.29 (180deg=0.932) USER MOD Single : C 50 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-6.7!) USER MOD Single : C 52 ASN :FLIP amide:sc= -1.17 F(o=-2.3,f=-1.2) USER MOD Single : C 53 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.85) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 2.344 -10.586 13.460 1.00 0.00 N HETATM 2 CN FME A 1 3.305 -9.672 13.475 1.00 0.00 C HETATM 3 O1 FME A 1 4.395 -9.878 14.008 1.00 0.00 O HETATM 4 CA FME A 1 1.080 -10.327 12.785 1.00 0.00 C HETATM 5 CB FME A 1 0.562 -11.599 12.113 1.00 0.00 C HETATM 6 CG FME A 1 -0.596 -11.356 11.158 1.00 0.00 C HETATM 7 SD FME A 1 -1.192 -12.875 10.391 1.00 0.00 S HETATM 8 CE FME A 1 -2.272 -12.215 9.125 1.00 0.00 C HETATM 9 C FME A 1 0.046 -9.807 13.774 1.00 0.00 C HETATM 10 O FME A 1 -0.612 -10.581 14.465 1.00 0.00 O HETATM 0 HG3 FME A 1 -1.415 -10.881 11.699 1.00 0.00 H new HETATM 0 HG2 FME A 1 -0.281 -10.660 10.381 1.00 0.00 H new HETATM 0 HE3 FME A 1 -3.119 -12.886 8.984 1.00 0.00 H new HETATM 0 HE2 FME A 1 -2.633 -11.233 9.431 1.00 0.00 H new HETATM 0 HE1 FME A 1 -1.722 -12.124 8.189 1.00 0.00 H new HETATM 0 HCN FME A 1 3.124 -8.708 13.000 1.00 0.00 H new HETATM 0 HB3 FME A 1 1.379 -12.070 11.567 1.00 0.00 H new HETATM 0 HB2 FME A 1 0.246 -12.303 12.883 1.00 0.00 H new HETATM 0 HA FME A 1 1.250 -9.569 12.021 1.00 0.00 H new HETATM 0 H FME A 1 2.492 -11.481 13.927 1.00 0.00 H new ATOM 21 N VAL A 2 -0.082 -8.496 13.844 1.00 0.00 N ATOM 22 CA VAL A 2 -1.042 -7.869 14.742 1.00 0.00 C ATOM 23 C VAL A 2 -2.225 -7.321 13.941 1.00 0.00 C ATOM 24 O VAL A 2 -3.167 -6.746 14.489 1.00 0.00 O ATOM 25 CB VAL A 2 -0.369 -6.733 15.550 1.00 0.00 C ATOM 26 CG1 VAL A 2 0.034 -5.586 14.638 1.00 0.00 C ATOM 27 CG2 VAL A 2 -1.268 -6.246 16.678 1.00 0.00 C ATOM 0 H VAL A 2 0.467 -7.840 13.289 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.406 -8.620 15.443 1.00 0.00 H new ATOM 0 HB VAL A 2 0.535 -7.138 16.004 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.505 -4.800 15.228 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.738 -5.947 13.888 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.851 -5.187 14.142 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.765 -5.449 17.225 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.202 -5.868 16.262 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.482 -7.073 17.356 1.00 0.00 H new ATOM 37 N ILE A 3 -2.180 -7.535 12.636 1.00 0.00 N ATOM 38 CA ILE A 3 -3.205 -7.020 11.750 1.00 0.00 C ATOM 39 C ILE A 3 -3.786 -8.137 10.893 1.00 0.00 C ATOM 40 O ILE A 3 -3.063 -9.011 10.415 1.00 0.00 O ATOM 41 CB ILE A 3 -2.648 -5.895 10.840 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.773 -5.266 10.013 1.00 0.00 C ATOM 43 CG2 ILE A 3 -1.546 -6.428 9.929 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.319 -4.116 9.145 1.00 0.00 C ATOM 0 H ILE A 3 -1.443 -8.063 12.169 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.996 -6.601 12.372 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.217 -5.124 11.479 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.219 -6.033 9.380 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.554 -4.915 10.687 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.171 -5.620 9.300 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.731 -6.823 10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.947 -7.222 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.170 -3.722 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.900 -3.330 9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.559 -4.466 8.446 1.00 0.00 H new ATOM 56 N ALA A 4 -5.100 -8.130 10.751 1.00 0.00 N ATOM 57 CA ALA A 4 -5.775 -9.018 9.825 1.00 0.00 C ATOM 58 C ALA A 4 -6.612 -8.194 8.860 1.00 0.00 C ATOM 59 O ALA A 4 -7.161 -7.154 9.230 1.00 0.00 O ATOM 60 CB ALA A 4 -6.641 -10.017 10.574 1.00 0.00 C ATOM 0 H ALA A 4 -5.724 -7.513 11.271 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.032 -9.582 9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.139 -10.674 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.017 -10.612 11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.390 -9.483 11.159 1.00 0.00 H new ATOM 66 N THR A 5 -6.695 -8.663 7.622 1.00 0.00 N ATOM 67 CA THR A 5 -7.359 -7.935 6.548 1.00 0.00 C ATOM 68 C THR A 5 -8.844 -7.730 6.839 1.00 0.00 C ATOM 69 O THR A 5 -9.490 -6.880 6.236 1.00 0.00 O ATOM 70 CB THR A 5 -7.203 -8.692 5.215 1.00 0.00 C ATOM 71 OG1 THR A 5 -5.930 -9.353 5.183 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.306 -7.740 4.031 1.00 0.00 C ATOM 0 H THR A 5 -6.304 -9.560 7.334 1.00 0.00 H new ATOM 0 HA THR A 5 -6.884 -6.956 6.477 1.00 0.00 H new ATOM 0 HB THR A 5 -8.006 -9.425 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.833 -9.835 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.192 -8.300 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.279 -7.250 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.520 -6.988 4.099 1.00 0.00 H new ATOM 80 N ASP A 6 -9.364 -8.486 7.795 1.00 0.00 N ATOM 81 CA ASP A 6 -10.783 -8.444 8.123 1.00 0.00 C ATOM 82 C ASP A 6 -11.107 -7.281 9.053 1.00 0.00 C ATOM 83 O ASP A 6 -12.265 -7.068 9.405 1.00 0.00 O ATOM 84 CB ASP A 6 -11.219 -9.759 8.774 1.00 0.00 C ATOM 85 CG ASP A 6 -11.179 -10.927 7.812 1.00 0.00 C ATOM 86 OD1 ASP A 6 -10.074 -11.451 7.553 1.00 0.00 O ATOM 87 OD2 ASP A 6 -12.251 -11.329 7.310 1.00 0.00 O ATOM 0 H ASP A 6 -8.822 -9.139 8.360 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.331 -8.301 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.571 -9.971 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.231 -9.649 9.164 1.00 0.00 H new ATOM 92 N ASP A 7 -10.088 -6.527 9.452 1.00 0.00 N ATOM 93 CA ASP A 7 -10.304 -5.345 10.283 1.00 0.00 C ATOM 94 C ASP A 7 -10.192 -4.072 9.460 1.00 0.00 C ATOM 95 O ASP A 7 -10.615 -3.000 9.895 1.00 0.00 O ATOM 96 CB ASP A 7 -9.284 -5.297 11.425 1.00 0.00 C ATOM 97 CG ASP A 7 -9.620 -6.243 12.555 1.00 0.00 C ATOM 98 OD1 ASP A 7 -10.457 -5.879 13.410 1.00 0.00 O ATOM 99 OD2 ASP A 7 -9.045 -7.352 12.601 1.00 0.00 O ATOM 0 H ASP A 7 -9.112 -6.710 9.217 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.310 -5.413 10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.297 -5.543 11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.229 -4.280 11.814 1.00 0.00 H new ATOM 104 N LEU A 8 -9.621 -4.189 8.271 1.00 0.00 N ATOM 105 CA LEU A 8 -9.476 -3.040 7.387 1.00 0.00 C ATOM 106 C LEU A 8 -10.343 -3.210 6.151 1.00 0.00 C ATOM 107 O LEU A 8 -10.574 -2.259 5.402 1.00 0.00 O ATOM 108 CB LEU A 8 -8.014 -2.825 6.992 1.00 0.00 C ATOM 109 CG LEU A 8 -7.130 -2.217 8.085 1.00 0.00 C ATOM 110 CD1 LEU A 8 -6.841 -3.223 9.188 1.00 0.00 C ATOM 111 CD2 LEU A 8 -5.835 -1.697 7.486 1.00 0.00 C ATOM 0 H LEU A 8 -9.252 -5.063 7.896 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.809 -2.155 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.589 -3.784 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.982 -2.176 6.117 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.672 -1.383 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.211 -2.759 9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.778 -3.545 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.326 -4.086 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.216 -1.268 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.299 -2.518 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.059 -0.932 6.743 1.00 0.00 H new ATOM 123 N GLU A 9 -10.823 -4.427 5.961 1.00 0.00 N ATOM 124 CA GLU A 9 -11.768 -4.728 4.907 1.00 0.00 C ATOM 125 C GLU A 9 -12.913 -5.540 5.482 1.00 0.00 C ATOM 126 O GLU A 9 -12.703 -6.495 6.229 1.00 0.00 O ATOM 127 CB GLU A 9 -11.116 -5.484 3.746 1.00 0.00 C ATOM 128 CG GLU A 9 -10.114 -4.656 2.955 1.00 0.00 C ATOM 129 CD GLU A 9 -9.767 -5.288 1.624 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.303 -6.449 1.613 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.977 -4.632 0.578 1.00 0.00 O ATOM 0 H GLU A 9 -10.567 -5.231 6.534 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.140 -3.785 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.613 -6.368 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.896 -5.835 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.523 -3.660 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.205 -4.531 3.543 1.00 0.00 H new ATOM 138 N VAL A 10 -14.115 -5.149 5.132 1.00 0.00 N ATOM 139 CA VAL A 10 -15.311 -5.789 5.630 1.00 0.00 C ATOM 140 C VAL A 10 -16.178 -6.200 4.450 1.00 0.00 C ATOM 141 O VAL A 10 -16.269 -5.477 3.457 1.00 0.00 O ATOM 142 CB VAL A 10 -16.091 -4.848 6.585 1.00 0.00 C ATOM 143 CG1 VAL A 10 -16.452 -3.539 5.897 1.00 0.00 C ATOM 144 CG2 VAL A 10 -17.336 -5.531 7.129 1.00 0.00 C ATOM 0 H VAL A 10 -14.293 -4.375 4.492 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.033 -6.674 6.203 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.437 -4.616 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.998 -2.901 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.541 -3.032 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -17.076 -3.745 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.864 -4.849 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.990 -5.808 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.048 -6.426 7.680 1.00 0.00 H new ATOM 154 N ALA A 11 -16.783 -7.370 4.542 1.00 0.00 N ATOM 155 CA ALA A 11 -17.611 -7.878 3.465 1.00 0.00 C ATOM 156 C ALA A 11 -18.822 -6.987 3.260 1.00 0.00 C ATOM 157 O ALA A 11 -19.458 -6.553 4.222 1.00 0.00 O ATOM 158 CB ALA A 11 -18.027 -9.305 3.787 1.00 0.00 C ATOM 0 H ALA A 11 -16.716 -7.986 5.352 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.043 -7.877 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.650 -9.693 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.139 -9.928 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.591 -9.318 4.720 1.00 0.00 H new ATOM 164 N CYS A 12 -19.119 -6.706 1.991 1.00 0.00 N ATOM 165 CA CYS A 12 -20.125 -5.737 1.590 1.00 0.00 C ATOM 166 C CYS A 12 -21.544 -6.042 2.082 1.00 0.00 C ATOM 167 O CYS A 12 -21.803 -7.109 2.625 1.00 0.00 O ATOM 168 CB CYS A 12 -20.146 -5.663 0.071 1.00 0.00 C ATOM 169 SG CYS A 12 -19.222 -4.262 -0.554 1.00 0.00 S ATOM 0 H CYS A 12 -18.655 -7.157 1.202 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.839 -4.793 2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -19.730 -6.583 -0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -21.178 -5.597 -0.273 1.00 0.00 H new ATOM 174 N PRO A 13 -22.484 -5.083 1.892 1.00 0.00 N ATOM 175 CA PRO A 13 -23.921 -5.298 2.130 1.00 0.00 C ATOM 176 C PRO A 13 -24.447 -6.614 1.548 1.00 0.00 C ATOM 177 O PRO A 13 -25.210 -7.331 2.199 1.00 0.00 O ATOM 178 CB PRO A 13 -24.546 -4.119 1.387 1.00 0.00 C ATOM 179 CG PRO A 13 -23.564 -3.018 1.557 1.00 0.00 C ATOM 180 CD PRO A 13 -22.210 -3.681 1.494 1.00 0.00 C ATOM 0 HA PRO A 13 -24.152 -5.359 3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.705 -4.351 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.517 -3.854 1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.672 -2.269 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.708 -2.506 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.784 -3.626 0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.500 -3.205 2.170 1.00 0.00 H new ATOM 188 N LYS A 14 -24.019 -6.936 0.326 1.00 0.00 N ATOM 189 CA LYS A 14 -24.580 -8.096 -0.361 1.00 0.00 C ATOM 190 C LYS A 14 -23.746 -8.603 -1.543 1.00 0.00 C ATOM 191 O LYS A 14 -24.129 -9.593 -2.161 1.00 0.00 O ATOM 192 CB LYS A 14 -26.030 -7.833 -0.800 1.00 0.00 C ATOM 193 CG LYS A 14 -26.203 -6.886 -1.988 1.00 0.00 C ATOM 194 CD LYS A 14 -26.487 -7.656 -3.277 1.00 0.00 C ATOM 195 CE LYS A 14 -27.165 -6.783 -4.326 1.00 0.00 C ATOM 196 NZ LYS A 14 -28.507 -6.312 -3.888 1.00 0.00 N ATOM 0 H LYS A 14 -23.306 -6.425 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.561 -8.897 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.493 -8.788 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.579 -7.425 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -27.021 -6.194 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -25.301 -6.286 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -25.552 -8.046 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.121 -8.514 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -26.533 -5.922 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.265 -7.346 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.086 -6.088 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.973 -7.058 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.401 -5.460 -3.301 1.00 0.00 H new ATOM 210 N CYS A 15 -22.616 -7.977 -1.888 1.00 0.00 N ATOM 211 CA CYS A 15 -21.861 -8.513 -3.020 1.00 0.00 C ATOM 212 C CYS A 15 -20.485 -9.046 -2.650 1.00 0.00 C ATOM 213 O CYS A 15 -19.538 -8.959 -3.434 1.00 0.00 O ATOM 214 CB CYS A 15 -21.687 -7.405 -4.054 1.00 0.00 C ATOM 215 SG CYS A 15 -20.848 -5.913 -3.420 1.00 0.00 S ATOM 0 H CYS A 15 -22.224 -7.152 -1.433 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.432 -9.357 -3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.118 -7.797 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.668 -7.122 -4.435 1.00 0.00 H new ATOM 220 N GLU A 16 -20.403 -9.702 -1.511 1.00 0.00 N ATOM 221 CA GLU A 16 -19.132 -10.177 -1.004 1.00 0.00 C ATOM 222 C GLU A 16 -18.816 -11.594 -1.459 1.00 0.00 C ATOM 223 O GLU A 16 -18.221 -12.363 -0.704 1.00 0.00 O ATOM 224 CB GLU A 16 -19.136 -10.159 0.522 1.00 0.00 C ATOM 225 CG GLU A 16 -20.256 -9.336 1.134 1.00 0.00 C ATOM 226 CD GLU A 16 -21.486 -10.154 1.456 1.00 0.00 C ATOM 227 OE1 GLU A 16 -21.401 -11.068 2.299 1.00 0.00 O ATOM 228 OE2 GLU A 16 -22.550 -9.883 0.873 1.00 0.00 O ATOM 0 H GLU A 16 -21.204 -9.919 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.370 -9.507 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.213 -11.184 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.181 -9.768 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.894 -8.862 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.529 -8.536 0.446 1.00 0.00 H new ATOM 235 N ARG A 17 -19.186 -11.965 -2.681 1.00 0.00 N ATOM 236 CA ARG A 17 -18.803 -13.261 -3.210 1.00 0.00 C ATOM 237 C ARG A 17 -18.598 -13.115 -4.714 1.00 0.00 C ATOM 238 O ARG A 17 -17.970 -13.955 -5.353 1.00 0.00 O ATOM 239 CB ARG A 17 -19.831 -14.367 -2.922 1.00 0.00 C ATOM 240 CG ARG A 17 -21.157 -14.240 -3.670 1.00 0.00 C ATOM 241 CD ARG A 17 -22.149 -13.388 -2.901 1.00 0.00 C ATOM 242 NE ARG A 17 -22.180 -13.764 -1.493 1.00 0.00 N ATOM 243 CZ ARG A 17 -22.536 -12.944 -0.518 1.00 0.00 C ATOM 244 NH1 ARG A 17 -23.113 -11.788 -0.805 1.00 0.00 N ATOM 245 NH2 ARG A 17 -22.361 -13.298 0.748 1.00 0.00 N ATOM 0 H ARG A 17 -19.744 -11.391 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.885 -13.571 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.384 -15.329 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.037 -14.379 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -20.982 -13.800 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.579 -15.231 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -21.879 -12.336 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.143 -13.502 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 17 -21.911 -14.716 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.283 -11.530 -1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -23.388 -11.155 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.951 -14.205 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.636 -12.664 1.498 1.00 0.00 H new ATOM 259 N ALA A 18 -19.126 -12.015 -5.264 1.00 0.00 N ATOM 260 CA ALA A 18 -19.188 -11.848 -6.714 1.00 0.00 C ATOM 261 C ALA A 18 -18.660 -10.489 -7.166 1.00 0.00 C ATOM 262 O ALA A 18 -18.181 -10.345 -8.291 1.00 0.00 O ATOM 263 CB ALA A 18 -20.612 -12.054 -7.211 1.00 0.00 C ATOM 0 H ALA A 18 -19.512 -11.236 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 18 -18.540 -12.607 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -20.642 -11.926 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -20.945 -13.060 -6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -21.271 -11.323 -6.741 1.00 0.00 H new ATOM 269 N GLY A 19 -18.737 -9.495 -6.282 1.00 0.00 N ATOM 270 CA GLY A 19 -18.206 -8.182 -6.595 1.00 0.00 C ATOM 271 C GLY A 19 -19.097 -7.349 -7.501 1.00 0.00 C ATOM 272 O GLY A 19 -18.600 -6.545 -8.283 1.00 0.00 O ATOM 0 H GLY A 19 -19.158 -9.578 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.042 -7.638 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.232 -8.300 -7.071 1.00 0.00 H new ATOM 276 N GLU A 20 -20.408 -7.498 -7.369 1.00 0.00 N ATOM 277 CA GLU A 20 -21.339 -6.755 -8.213 1.00 0.00 C ATOM 278 C GLU A 20 -22.666 -6.524 -7.509 1.00 0.00 C ATOM 279 O GLU A 20 -23.015 -7.225 -6.563 1.00 0.00 O ATOM 280 CB GLU A 20 -21.592 -7.480 -9.537 1.00 0.00 C ATOM 281 CG GLU A 20 -22.003 -8.935 -9.373 1.00 0.00 C ATOM 282 CD GLU A 20 -22.515 -9.543 -10.662 1.00 0.00 C ATOM 283 OE1 GLU A 20 -21.696 -9.817 -11.562 1.00 0.00 O ATOM 284 OE2 GLU A 20 -23.740 -9.751 -10.782 1.00 0.00 O ATOM 0 H GLU A 20 -20.850 -8.120 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 20 -20.874 -5.791 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -22.372 -6.952 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -20.688 -7.434 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.150 -9.512 -9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -22.777 -9.006 -8.609 1.00 0.00 H new ATOM 291 N ILE A 21 -23.403 -5.547 -7.993 1.00 0.00 N ATOM 292 CA ILE A 21 -24.735 -5.273 -7.502 1.00 0.00 C ATOM 293 C ILE A 21 -25.679 -5.338 -8.684 1.00 0.00 C ATOM 294 O ILE A 21 -25.753 -4.398 -9.470 1.00 0.00 O ATOM 295 CB ILE A 21 -24.861 -3.882 -6.830 1.00 0.00 C ATOM 296 CG1 ILE A 21 -23.909 -3.747 -5.635 1.00 0.00 C ATOM 297 CG2 ILE A 21 -26.300 -3.628 -6.392 1.00 0.00 C ATOM 298 CD1 ILE A 21 -24.239 -4.637 -4.454 1.00 0.00 C ATOM 0 H ILE A 21 -23.095 -4.921 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 21 -24.976 -6.013 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.579 -3.131 -7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -22.896 -3.971 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -23.912 -2.709 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.370 -2.647 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -26.956 -3.661 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -26.604 -4.394 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.512 -4.471 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.238 -4.400 -4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.205 -5.681 -4.765 1.00 0.00 H new ATOM 310 N GLU A 22 -26.362 -6.465 -8.818 1.00 0.00 N ATOM 311 CA GLU A 22 -27.296 -6.677 -9.920 1.00 0.00 C ATOM 312 C GLU A 22 -26.578 -6.670 -11.262 1.00 0.00 C ATOM 313 O GLU A 22 -26.964 -5.935 -12.172 1.00 0.00 O ATOM 314 CB GLU A 22 -28.340 -5.571 -9.896 1.00 0.00 C ATOM 315 CG GLU A 22 -29.641 -5.928 -10.586 1.00 0.00 C ATOM 316 CD GLU A 22 -30.840 -5.285 -9.926 1.00 0.00 C ATOM 317 OE1 GLU A 22 -31.342 -5.850 -8.931 1.00 0.00 O ATOM 318 OE2 GLU A 22 -31.286 -4.216 -10.392 1.00 0.00 O ATOM 0 H GLU A 22 -26.288 -7.253 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 22 -27.768 -7.652 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -28.552 -5.309 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -27.923 -4.683 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -29.593 -5.616 -11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -29.765 -7.011 -10.583 1.00 0.00 H new ATOM 325 N GLY A 23 -25.525 -7.470 -11.391 1.00 0.00 N ATOM 326 CA GLY A 23 -24.742 -7.459 -12.615 1.00 0.00 C ATOM 327 C GLY A 23 -24.127 -6.110 -12.903 1.00 0.00 C ATOM 328 O GLY A 23 -23.525 -5.897 -13.956 1.00 0.00 O ATOM 0 H GLY A 23 -25.201 -8.122 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -23.951 -8.206 -12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -25.378 -7.749 -13.451 1.00 0.00 H new ATOM 332 N THR A 24 -24.273 -5.208 -11.962 1.00 0.00 N ATOM 333 CA THR A 24 -23.908 -3.831 -12.156 1.00 0.00 C ATOM 334 C THR A 24 -22.821 -3.419 -11.150 1.00 0.00 C ATOM 335 O THR A 24 -22.778 -3.938 -10.033 1.00 0.00 O ATOM 336 CB THR A 24 -25.208 -3.013 -12.022 1.00 0.00 C ATOM 337 OG1 THR A 24 -25.774 -2.798 -13.320 1.00 0.00 O ATOM 338 CG2 THR A 24 -25.026 -1.688 -11.295 1.00 0.00 C ATOM 0 H THR A 24 -24.650 -5.413 -11.037 1.00 0.00 H new ATOM 0 HA THR A 24 -23.471 -3.652 -13.138 1.00 0.00 H new ATOM 0 HB THR A 24 -25.888 -3.600 -11.404 1.00 0.00 H new ATOM 0 HG1 THR A 24 -26.601 -2.280 -13.234 1.00 0.00 H new ATOM 0 HG21 THR A 24 -25.983 -1.169 -11.239 1.00 0.00 H new ATOM 0 HG22 THR A 24 -24.655 -1.874 -10.287 1.00 0.00 H new ATOM 0 HG23 THR A 24 -24.310 -1.071 -11.837 1.00 0.00 H new ATOM 346 N PRO A 25 -21.896 -2.520 -11.556 1.00 0.00 N ATOM 347 CA PRO A 25 -20.752 -2.103 -10.728 1.00 0.00 C ATOM 348 C PRO A 25 -21.180 -1.594 -9.358 1.00 0.00 C ATOM 349 O PRO A 25 -22.057 -0.739 -9.237 1.00 0.00 O ATOM 350 CB PRO A 25 -20.091 -0.981 -11.545 1.00 0.00 C ATOM 351 CG PRO A 25 -21.134 -0.562 -12.523 1.00 0.00 C ATOM 352 CD PRO A 25 -21.897 -1.815 -12.847 1.00 0.00 C ATOM 0 HA PRO A 25 -20.081 -2.937 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.790 -0.150 -10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.193 -1.336 -12.051 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -21.789 0.199 -12.098 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.684 -0.132 -13.418 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -22.908 -1.599 -13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -21.411 -2.397 -13.630 1.00 0.00 H new ATOM 360 N CYS A 26 -20.543 -2.128 -8.329 1.00 0.00 N ATOM 361 CA CYS A 26 -20.941 -1.864 -6.961 1.00 0.00 C ATOM 362 C CYS A 26 -20.358 -0.547 -6.433 1.00 0.00 C ATOM 363 O CYS A 26 -19.177 -0.267 -6.636 1.00 0.00 O ATOM 364 CB CYS A 26 -20.496 -3.018 -6.078 1.00 0.00 C ATOM 365 SG CYS A 26 -21.071 -2.876 -4.372 1.00 0.00 S ATOM 0 H CYS A 26 -19.741 -2.752 -8.420 1.00 0.00 H new ATOM 0 HA CYS A 26 -22.027 -1.769 -6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -20.864 -3.953 -6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -19.407 -3.072 -6.084 1.00 0.00 H new ATOM 370 N PRO A 27 -21.199 0.243 -5.726 1.00 0.00 N ATOM 371 CA PRO A 27 -20.860 1.556 -5.148 1.00 0.00 C ATOM 372 C PRO A 27 -19.408 1.729 -4.687 1.00 0.00 C ATOM 373 O PRO A 27 -18.699 2.613 -5.157 1.00 0.00 O ATOM 374 CB PRO A 27 -21.781 1.603 -3.932 1.00 0.00 C ATOM 375 CG PRO A 27 -23.014 0.865 -4.337 1.00 0.00 C ATOM 376 CD PRO A 27 -22.615 -0.083 -5.454 1.00 0.00 C ATOM 0 HA PRO A 27 -20.980 2.344 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.311 1.137 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -22.012 2.631 -3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -23.429 0.314 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -23.785 1.558 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -22.732 -1.124 -5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -23.234 0.064 -6.339 1.00 0.00 H new ATOM 384 N ALA A 28 -18.968 0.863 -3.783 1.00 0.00 N ATOM 385 CA ALA A 28 -17.707 1.086 -3.079 1.00 0.00 C ATOM 386 C ALA A 28 -16.723 -0.059 -3.294 1.00 0.00 C ATOM 387 O ALA A 28 -15.558 0.029 -2.912 1.00 0.00 O ATOM 388 CB ALA A 28 -17.963 1.298 -1.594 1.00 0.00 C ATOM 0 H ALA A 28 -19.458 0.008 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.253 1.985 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.015 1.463 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.606 2.167 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.451 0.416 -1.179 1.00 0.00 H new ATOM 394 N CYS A 29 -17.192 -1.134 -3.904 1.00 0.00 N ATOM 395 CA CYS A 29 -16.338 -2.279 -4.171 1.00 0.00 C ATOM 396 C CYS A 29 -16.465 -2.663 -5.646 1.00 0.00 C ATOM 397 O CYS A 29 -17.396 -3.363 -6.038 1.00 0.00 O ATOM 398 CB CYS A 29 -16.719 -3.460 -3.240 1.00 0.00 C ATOM 399 SG CYS A 29 -18.255 -4.340 -3.680 1.00 0.00 S ATOM 0 H CYS A 29 -18.155 -1.238 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 29 -15.298 -2.024 -3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.898 -4.177 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.816 -3.081 -2.222 1.00 0.00 H new ATOM 404 N SER A 30 -15.557 -2.171 -6.481 1.00 0.00 N ATOM 405 CA SER A 30 -15.617 -2.424 -7.916 1.00 0.00 C ATOM 406 C SER A 30 -15.177 -3.844 -8.279 1.00 0.00 C ATOM 407 O SER A 30 -14.322 -4.041 -9.141 1.00 0.00 O ATOM 408 CB SER A 30 -14.744 -1.396 -8.634 1.00 0.00 C ATOM 409 OG SER A 30 -13.531 -1.186 -7.930 1.00 0.00 O ATOM 0 H SER A 30 -14.769 -1.593 -6.188 1.00 0.00 H new ATOM 0 HA SER A 30 -16.655 -2.330 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.528 -1.739 -9.646 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.284 -0.454 -8.726 1.00 0.00 H new ATOM 0 HG SER A 30 -12.986 -0.526 -8.407 1.00 0.00 H new ATOM 415 N GLY A 31 -15.764 -4.824 -7.617 1.00 0.00 N ATOM 416 CA GLY A 31 -15.507 -6.202 -7.960 1.00 0.00 C ATOM 417 C GLY A 31 -14.447 -6.835 -7.089 1.00 0.00 C ATOM 418 O GLY A 31 -13.495 -7.426 -7.596 1.00 0.00 O ATOM 0 H GLY A 31 -16.417 -4.689 -6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.432 -6.772 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.196 -6.260 -9.003 1.00 0.00 H new ATOM 422 N LYS A 32 -14.590 -6.708 -5.772 1.00 0.00 N ATOM 423 CA LYS A 32 -13.679 -7.357 -4.840 1.00 0.00 C ATOM 424 C LYS A 32 -14.466 -8.340 -3.980 1.00 0.00 C ATOM 425 O LYS A 32 -14.079 -9.490 -3.799 1.00 0.00 O ATOM 426 CB LYS A 32 -13.033 -6.330 -3.905 1.00 0.00 C ATOM 427 CG LYS A 32 -12.650 -5.019 -4.561 1.00 0.00 C ATOM 428 CD LYS A 32 -12.136 -4.041 -3.519 1.00 0.00 C ATOM 429 CE LYS A 32 -11.964 -2.650 -4.090 1.00 0.00 C ATOM 430 NZ LYS A 32 -10.986 -2.619 -5.217 1.00 0.00 N ATOM 0 H LYS A 32 -15.328 -6.161 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.904 -7.864 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.722 -6.122 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.140 -6.773 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.884 -5.192 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.513 -4.595 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.830 -4.006 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.182 -4.394 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.929 -2.280 -4.438 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.629 -1.975 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.785 -1.632 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.104 -3.086 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.386 -3.117 -6.038 1.00 0.00 H new ATOM 444 N GLY A 33 -15.599 -7.860 -3.467 1.00 0.00 N ATOM 445 CA GLY A 33 -16.369 -8.596 -2.506 1.00 0.00 C ATOM 446 C GLY A 33 -16.458 -7.827 -1.205 1.00 0.00 C ATOM 447 O GLY A 33 -17.509 -7.776 -0.570 1.00 0.00 O ATOM 0 H GLY A 33 -15.994 -6.953 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.370 -8.781 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.910 -9.569 -2.331 1.00 0.00 H new ATOM 451 N VAL A 34 -15.366 -7.172 -0.838 1.00 0.00 N ATOM 452 CA VAL A 34 -15.296 -6.452 0.424 1.00 0.00 C ATOM 453 C VAL A 34 -15.079 -4.955 0.202 1.00 0.00 C ATOM 454 O VAL A 34 -14.731 -4.519 -0.901 1.00 0.00 O ATOM 455 CB VAL A 34 -14.148 -6.999 1.305 1.00 0.00 C ATOM 456 CG1 VAL A 34 -14.379 -8.461 1.657 1.00 0.00 C ATOM 457 CG2 VAL A 34 -12.806 -6.830 0.604 1.00 0.00 C ATOM 0 H VAL A 34 -14.515 -7.125 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.250 -6.601 0.930 1.00 0.00 H new ATOM 0 HB VAL A 34 -14.133 -6.423 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.557 -8.820 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.316 -8.560 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.429 -9.052 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -12.012 -7.221 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.817 -7.376 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.628 -5.772 0.409 1.00 0.00 H new ATOM 467 N ILE A 35 -15.318 -4.184 1.253 1.00 0.00 N ATOM 468 CA ILE A 35 -15.036 -2.754 1.260 1.00 0.00 C ATOM 469 C ILE A 35 -14.135 -2.406 2.439 1.00 0.00 C ATOM 470 O ILE A 35 -13.958 -3.207 3.349 1.00 0.00 O ATOM 471 CB ILE A 35 -16.322 -1.908 1.356 1.00 0.00 C ATOM 472 CG1 ILE A 35 -17.234 -2.446 2.463 1.00 0.00 C ATOM 473 CG2 ILE A 35 -17.042 -1.877 0.020 1.00 0.00 C ATOM 474 CD1 ILE A 35 -18.506 -1.650 2.654 1.00 0.00 C ATOM 0 H ILE A 35 -15.713 -4.532 2.127 1.00 0.00 H new ATOM 0 HA ILE A 35 -14.541 -2.522 0.317 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.047 -0.885 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.495 -3.479 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.680 -2.458 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.947 -1.275 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.388 -1.441 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.309 -2.892 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.097 -2.095 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.256 -0.622 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.083 -1.659 1.729 1.00 0.00 H new ATOM 486 N LEU A 36 -13.580 -1.208 2.416 1.00 0.00 N ATOM 487 CA LEU A 36 -12.609 -0.796 3.423 1.00 0.00 C ATOM 488 C LEU A 36 -13.267 -0.165 4.644 1.00 0.00 C ATOM 489 O LEU A 36 -14.434 0.236 4.613 1.00 0.00 O ATOM 490 CB LEU A 36 -11.608 0.194 2.819 1.00 0.00 C ATOM 491 CG LEU A 36 -10.871 -0.300 1.574 1.00 0.00 C ATOM 492 CD1 LEU A 36 -11.649 0.021 0.305 1.00 0.00 C ATOM 493 CD2 LEU A 36 -9.484 0.299 1.518 1.00 0.00 C ATOM 0 H LEU A 36 -13.783 -0.499 1.711 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.094 -1.698 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.138 1.113 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.871 0.450 3.580 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.783 -1.384 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.098 -0.343 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.625 -0.463 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.782 1.100 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.968 -0.060 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.558 1.386 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.924 0.003 2.405 1.00 0.00 H new ATOM 505 N THR A 37 -12.491 -0.079 5.716 1.00 0.00 N ATOM 506 CA THR A 37 -12.895 0.617 6.926 1.00 0.00 C ATOM 507 C THR A 37 -12.140 1.937 6.995 1.00 0.00 C ATOM 508 O THR A 37 -11.316 2.197 6.129 1.00 0.00 O ATOM 509 CB THR A 37 -12.575 -0.217 8.186 1.00 0.00 C ATOM 510 OG1 THR A 37 -11.162 -0.461 8.271 1.00 0.00 O ATOM 511 CG2 THR A 37 -13.308 -1.550 8.161 1.00 0.00 C ATOM 0 H THR A 37 -11.560 -0.492 5.769 1.00 0.00 H new ATOM 0 HA THR A 37 -13.972 0.784 6.895 1.00 0.00 H new ATOM 0 HB THR A 37 -12.906 0.352 9.055 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.949 -0.847 9.146 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.064 -2.116 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.383 -1.373 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.003 -2.117 7.281 1.00 0.00 H new ATOM 519 N ALA A 38 -12.400 2.765 7.997 1.00 0.00 N ATOM 520 CA ALA A 38 -11.738 4.066 8.095 1.00 0.00 C ATOM 521 C ALA A 38 -10.218 3.922 8.110 1.00 0.00 C ATOM 522 O ALA A 38 -9.509 4.664 7.420 1.00 0.00 O ATOM 523 CB ALA A 38 -12.221 4.814 9.324 1.00 0.00 C ATOM 0 H ALA A 38 -13.059 2.565 8.750 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.003 4.643 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.719 5.780 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.298 4.968 9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.993 4.232 10.217 1.00 0.00 H new ATOM 529 N GLN A 39 -9.713 2.974 8.892 1.00 0.00 N ATOM 530 CA GLN A 39 -8.287 2.684 8.898 1.00 0.00 C ATOM 531 C GLN A 39 -7.818 2.230 7.518 1.00 0.00 C ATOM 532 O GLN A 39 -6.780 2.677 7.031 1.00 0.00 O ATOM 533 CB GLN A 39 -7.954 1.625 9.949 1.00 0.00 C ATOM 534 CG GLN A 39 -6.474 1.294 10.015 1.00 0.00 C ATOM 535 CD GLN A 39 -6.139 0.323 11.123 1.00 0.00 C ATOM 536 OE1 GLN A 39 -6.794 0.296 12.162 1.00 0.00 O ATOM 537 NE2 GLN A 39 -5.108 -0.477 10.907 1.00 0.00 N ATOM 0 H GLN A 39 -10.267 2.398 9.525 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.759 3.602 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.285 1.975 10.926 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.514 0.716 9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.158 0.872 9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.907 2.214 10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.593 -0.419 10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.828 -1.152 11.619 1.00 0.00 H new ATOM 546 N GLY A 40 -8.598 1.363 6.879 1.00 0.00 N ATOM 547 CA GLY A 40 -8.265 0.912 5.544 1.00 0.00 C ATOM 548 C GLY A 40 -8.368 2.032 4.527 1.00 0.00 C ATOM 549 O GLY A 40 -7.644 2.050 3.537 1.00 0.00 O ATOM 0 H GLY A 40 -9.455 0.966 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.252 0.509 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.933 0.099 5.258 1.00 0.00 H new ATOM 553 N TYR A 41 -9.262 2.977 4.786 1.00 0.00 N ATOM 554 CA TYR A 41 -9.439 4.133 3.919 1.00 0.00 C ATOM 555 C TYR A 41 -8.252 5.072 4.007 1.00 0.00 C ATOM 556 O TYR A 41 -7.862 5.683 3.011 1.00 0.00 O ATOM 557 CB TYR A 41 -10.717 4.880 4.316 1.00 0.00 C ATOM 558 CG TYR A 41 -11.934 4.533 3.484 1.00 0.00 C ATOM 559 CD1 TYR A 41 -12.720 3.432 3.792 1.00 0.00 C ATOM 560 CD2 TYR A 41 -12.301 5.316 2.395 1.00 0.00 C ATOM 561 CE1 TYR A 41 -13.835 3.117 3.041 1.00 0.00 C ATOM 562 CE2 TYR A 41 -13.418 5.007 1.640 1.00 0.00 C ATOM 563 CZ TYR A 41 -14.180 3.907 1.967 1.00 0.00 C ATOM 564 OH TYR A 41 -15.292 3.595 1.220 1.00 0.00 O ATOM 0 H TYR A 41 -9.881 2.964 5.597 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.519 3.781 2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.936 4.668 5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.534 5.952 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.455 2.810 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.705 6.178 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.434 2.255 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.692 5.625 0.798 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.397 4.251 0.500 1.00 0.00 H new ATOM 574 N THR A 42 -7.655 5.159 5.179 1.00 0.00 N ATOM 575 CA THR A 42 -6.436 5.932 5.350 1.00 0.00 C ATOM 576 C THR A 42 -5.281 5.254 4.623 1.00 0.00 C ATOM 577 O THR A 42 -4.391 5.909 4.073 1.00 0.00 O ATOM 578 CB THR A 42 -6.093 6.057 6.841 1.00 0.00 C ATOM 579 OG1 THR A 42 -7.215 6.601 7.543 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.871 6.938 7.058 1.00 0.00 C ATOM 0 H THR A 42 -7.992 4.705 6.028 1.00 0.00 H new ATOM 0 HA THR A 42 -6.594 6.926 4.932 1.00 0.00 H new ATOM 0 HB THR A 42 -5.861 5.063 7.224 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.936 5.938 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.656 7.005 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.014 6.505 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.067 7.935 6.664 1.00 0.00 H new ATOM 588 N LEU A 43 -5.340 3.933 4.571 1.00 0.00 N ATOM 589 CA LEU A 43 -4.288 3.152 3.954 1.00 0.00 C ATOM 590 C LEU A 43 -4.544 2.998 2.459 1.00 0.00 C ATOM 591 O LEU A 43 -3.658 2.578 1.728 1.00 0.00 O ATOM 592 CB LEU A 43 -4.168 1.766 4.617 1.00 0.00 C ATOM 593 CG LEU A 43 -3.045 1.596 5.664 1.00 0.00 C ATOM 594 CD1 LEU A 43 -3.138 2.663 6.742 1.00 0.00 C ATOM 595 CD2 LEU A 43 -3.125 0.213 6.289 1.00 0.00 C ATOM 0 H LEU A 43 -6.109 3.381 4.951 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.347 3.683 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.119 1.534 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.017 1.025 3.832 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.086 1.708 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.336 2.520 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.044 3.649 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.101 2.587 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.330 0.100 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.092 0.089 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.010 -0.544 5.513 1.00 0.00 H new ATOM 607 N LEU A 44 -5.737 3.367 1.984 1.00 0.00 N ATOM 608 CA LEU A 44 -6.030 3.234 0.564 1.00 0.00 C ATOM 609 C LEU A 44 -5.583 4.485 -0.184 1.00 0.00 C ATOM 610 O LEU A 44 -4.972 4.389 -1.240 1.00 0.00 O ATOM 611 CB LEU A 44 -7.525 2.910 0.305 1.00 0.00 C ATOM 612 CG LEU A 44 -8.506 4.090 0.134 1.00 0.00 C ATOM 613 CD1 LEU A 44 -8.399 4.707 -1.258 1.00 0.00 C ATOM 614 CD2 LEU A 44 -9.939 3.634 0.356 1.00 0.00 C ATOM 0 H LEU A 44 -6.495 3.750 2.549 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.464 2.385 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.582 2.296 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.882 2.297 1.133 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.237 4.840 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.103 5.535 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.385 5.075 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.632 3.953 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.614 4.481 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.191 2.859 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.042 3.234 1.365 1.00 0.00 H new ATOM 626 N ASP A 45 -5.859 5.659 0.377 1.00 0.00 N ATOM 627 CA ASP A 45 -5.516 6.915 -0.286 1.00 0.00 C ATOM 628 C ASP A 45 -4.015 7.124 -0.264 1.00 0.00 C ATOM 629 O ASP A 45 -3.450 7.796 -1.127 1.00 0.00 O ATOM 630 CB ASP A 45 -6.218 8.091 0.393 1.00 0.00 C ATOM 631 CG ASP A 45 -6.006 9.398 -0.347 1.00 0.00 C ATOM 632 OD1 ASP A 45 -6.636 9.586 -1.407 1.00 0.00 O ATOM 633 OD2 ASP A 45 -5.215 10.245 0.125 1.00 0.00 O ATOM 0 H ASP A 45 -6.316 5.768 1.282 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.852 6.861 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.286 7.884 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.849 8.191 1.414 1.00 0.00 H new ATOM 638 N PHE A 46 -3.369 6.488 0.697 1.00 0.00 N ATOM 639 CA PHE A 46 -1.925 6.519 0.798 1.00 0.00 C ATOM 640 C PHE A 46 -1.308 5.644 -0.274 1.00 0.00 C ATOM 641 O PHE A 46 -0.335 6.029 -0.918 1.00 0.00 O ATOM 642 CB PHE A 46 -1.534 5.979 2.173 1.00 0.00 C ATOM 643 CG PHE A 46 -0.072 6.059 2.508 1.00 0.00 C ATOM 644 CD1 PHE A 46 0.789 5.027 2.169 1.00 0.00 C ATOM 645 CD2 PHE A 46 0.435 7.156 3.184 1.00 0.00 C ATOM 646 CE1 PHE A 46 2.128 5.090 2.494 1.00 0.00 C ATOM 647 CE2 PHE A 46 1.773 7.225 3.511 1.00 0.00 C ATOM 648 CZ PHE A 46 2.620 6.190 3.166 1.00 0.00 C ATOM 0 H PHE A 46 -3.829 5.940 1.424 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.567 7.540 0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.093 6.527 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.847 4.937 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.407 4.164 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.224 7.966 3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.790 4.280 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.158 8.087 4.036 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.668 6.242 3.422 1.00 0.00 H new ATOM 658 N ILE A 47 -1.889 4.484 -0.497 1.00 0.00 N ATOM 659 CA ILE A 47 -1.334 3.582 -1.479 1.00 0.00 C ATOM 660 C ILE A 47 -1.733 4.001 -2.895 1.00 0.00 C ATOM 661 O ILE A 47 -1.002 3.762 -3.854 1.00 0.00 O ATOM 662 CB ILE A 47 -1.725 2.120 -1.198 1.00 0.00 C ATOM 663 CG1 ILE A 47 -3.247 1.948 -1.202 1.00 0.00 C ATOM 664 CG2 ILE A 47 -1.144 1.698 0.141 1.00 0.00 C ATOM 665 CD1 ILE A 47 -3.711 0.552 -0.839 1.00 0.00 C ATOM 0 H ILE A 47 -2.728 4.150 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.248 3.644 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.320 1.486 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.684 2.659 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.628 2.201 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.417 0.663 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.058 1.787 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.539 2.340 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.800 0.512 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.305 -0.164 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.362 0.302 0.163 1.00 0.00 H new ATOM 677 N GLN A 48 -2.881 4.658 -3.008 1.00 0.00 N ATOM 678 CA GLN A 48 -3.262 5.328 -4.240 1.00 0.00 C ATOM 679 C GLN A 48 -2.175 6.301 -4.655 1.00 0.00 C ATOM 680 O GLN A 48 -1.539 6.143 -5.678 1.00 0.00 O ATOM 681 CB GLN A 48 -4.568 6.104 -4.046 1.00 0.00 C ATOM 682 CG GLN A 48 -5.802 5.228 -3.923 1.00 0.00 C ATOM 683 CD GLN A 48 -6.019 4.350 -5.136 1.00 0.00 C ATOM 684 OE1 GLN A 48 -5.648 4.709 -6.254 1.00 0.00 O ATOM 685 NE2 GLN A 48 -6.625 3.198 -4.924 1.00 0.00 N ATOM 0 H GLN A 48 -3.565 4.740 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.401 4.571 -5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.482 6.719 -3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.702 6.784 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.710 4.600 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.678 5.860 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.916 2.941 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.803 2.564 -5.703 1.00 0.00 H new ATOM 694 N LYS A 49 -1.899 7.227 -3.772 1.00 0.00 N ATOM 695 CA LYS A 49 -1.151 8.434 -4.084 1.00 0.00 C ATOM 696 C LYS A 49 0.360 8.200 -4.167 1.00 0.00 C ATOM 697 O LYS A 49 1.126 9.130 -4.427 1.00 0.00 O ATOM 698 CB LYS A 49 -1.500 9.428 -2.986 1.00 0.00 C ATOM 699 CG LYS A 49 -1.006 10.851 -3.168 1.00 0.00 C ATOM 700 CD LYS A 49 -1.179 11.640 -1.877 1.00 0.00 C ATOM 701 CE LYS A 49 -2.591 11.501 -1.322 1.00 0.00 C ATOM 702 NZ LYS A 49 -2.740 12.147 0.006 1.00 0.00 N ATOM 0 H LYS A 49 -2.190 7.169 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.423 8.804 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.585 9.456 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.102 9.048 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.044 10.844 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.558 11.334 -3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.460 11.290 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.961 12.692 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.299 11.945 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.844 10.444 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.487 11.664 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.841 12.083 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.996 13.147 -0.121 1.00 0.00 H new ATOM 716 N HIS A 50 0.821 6.979 -3.910 1.00 0.00 N ATOM 717 CA HIS A 50 2.230 6.704 -4.206 1.00 0.00 C ATOM 718 C HIS A 50 2.441 5.621 -5.267 1.00 0.00 C ATOM 719 O HIS A 50 3.579 5.346 -5.639 1.00 0.00 O ATOM 720 CB HIS A 50 2.953 6.317 -2.915 1.00 0.00 C ATOM 721 CG HIS A 50 2.698 7.281 -1.795 1.00 0.00 C ATOM 722 ND1 HIS A 50 2.198 6.893 -0.577 1.00 0.00 N ATOM 723 CD2 HIS A 50 2.826 8.626 -1.733 1.00 0.00 C ATOM 724 CE1 HIS A 50 2.025 7.955 0.182 1.00 0.00 C ATOM 725 NE2 HIS A 50 2.395 9.022 -0.491 1.00 0.00 N ATOM 0 H HIS A 50 0.282 6.205 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 50 2.646 7.621 -4.624 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.634 5.320 -2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.025 6.264 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.199 9.270 -2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.642 7.950 1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.367 9.982 -0.148 1.00 0.00 H new ATOM 734 N LEU A 51 1.370 5.012 -5.763 1.00 0.00 N ATOM 735 CA LEU A 51 1.497 4.068 -6.882 1.00 0.00 C ATOM 736 C LEU A 51 0.716 4.555 -8.090 1.00 0.00 C ATOM 737 O LEU A 51 1.148 4.421 -9.234 1.00 0.00 O ATOM 738 CB LEU A 51 0.968 2.669 -6.527 1.00 0.00 C ATOM 739 CG LEU A 51 1.816 1.817 -5.570 1.00 0.00 C ATOM 740 CD1 LEU A 51 3.260 1.716 -6.046 1.00 0.00 C ATOM 741 CD2 LEU A 51 1.752 2.363 -4.162 1.00 0.00 C ATOM 0 H LEU A 51 0.419 5.147 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 51 2.562 4.008 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.023 2.784 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.842 2.110 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 51 1.397 0.811 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.832 1.107 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.286 1.256 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.696 2.713 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.360 1.743 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.131 3.385 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.719 2.355 -3.815 1.00 0.00 H new ATOM 753 N ASN A 52 -0.441 5.113 -7.817 1.00 0.00 N ATOM 754 CA ASN A 52 -1.444 5.369 -8.834 1.00 0.00 C ATOM 755 C ASN A 52 -1.823 6.846 -8.906 1.00 0.00 C ATOM 756 O ASN A 52 -2.195 7.350 -9.967 1.00 0.00 O ATOM 757 CB ASN A 52 -2.668 4.513 -8.509 1.00 0.00 C ATOM 758 CG ASN A 52 -2.721 3.231 -9.322 1.00 0.00 C ATOM 759 OD1 ASN A 52 -1.564 2.722 -9.720 1.00 0.00 O flip ATOM 760 ND2 ASN A 52 -3.799 2.704 -9.594 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.718 5.405 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.040 5.108 -9.812 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.661 4.265 -7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.572 5.094 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.669 3.126 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.823 1.845 -10.144 1.00 0.00 H new ATOM 767 N LYS A 53 -1.738 7.528 -7.777 1.00 0.00 N ATOM 768 CA LYS A 53 -2.047 8.941 -7.701 1.00 0.00 C ATOM 769 C LYS A 53 -0.779 9.747 -7.437 1.00 0.00 C ATOM 770 O LYS A 53 -0.715 10.434 -6.402 1.00 0.00 O ATOM 771 CB LYS A 53 -3.094 9.194 -6.600 1.00 0.00 C ATOM 772 CG LYS A 53 -4.521 9.245 -7.118 1.00 0.00 C ATOM 773 CD LYS A 53 -5.440 10.008 -6.168 1.00 0.00 C ATOM 774 CE LYS A 53 -5.599 9.306 -4.827 1.00 0.00 C ATOM 775 NZ LYS A 53 -6.535 10.042 -3.932 1.00 0.00 N ATOM 776 OXT LYS A 53 0.159 9.659 -8.259 1.00 0.00 O ATOM 0 H LYS A 53 -1.453 7.116 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.464 9.264 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.017 8.408 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.864 10.135 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.535 9.721 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.896 8.230 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.040 11.009 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.419 10.127 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.968 8.293 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.626 9.218 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.517 9.615 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.243 11.038 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.499 9.987 -4.318 1.00 0.00 H new TER 790 LYS A 53 HETATM 791 N FME B 1 8.008 7.061 13.517 1.00 0.00 N HETATM 792 CN FME B 1 6.745 7.457 13.493 1.00 0.00 C HETATM 793 O1 FME B 1 6.374 8.507 14.021 1.00 0.00 O HETATM 794 CA FME B 1 8.417 5.837 12.846 1.00 0.00 C HETATM 795 CB FME B 1 9.775 6.028 12.171 1.00 0.00 C HETATM 796 CG FME B 1 10.131 4.922 11.192 1.00 0.00 C HETATM 797 SD FME B 1 11.719 5.208 10.387 1.00 0.00 S HETATM 798 CE FME B 1 11.699 3.943 9.122 1.00 0.00 C HETATM 799 C FME B 1 8.484 4.681 13.833 1.00 0.00 C HETATM 800 O FME B 1 9.476 4.503 14.538 1.00 0.00 O HETATM 0 HG3 FME B 1 10.160 3.968 11.719 1.00 0.00 H new HETATM 0 HG2 FME B 1 9.351 4.845 10.435 1.00 0.00 H new HETATM 0 HE3 FME B 1 12.703 3.537 8.997 1.00 0.00 H new HETATM 0 HE2 FME B 1 11.019 3.144 9.417 1.00 0.00 H new HETATM 0 HE1 FME B 1 11.363 4.376 8.180 1.00 0.00 H new HETATM 0 HCN FME B 1 6.007 6.833 12.989 1.00 0.00 H new HETATM 0 HB3 FME B 1 9.778 6.982 11.644 1.00 0.00 H new HETATM 0 HB2 FME B 1 10.547 6.085 12.938 1.00 0.00 H new HETATM 0 HA FME B 1 7.674 5.601 12.084 1.00 0.00 H new HETATM 0 H FME B 1 8.702 7.621 14.012 1.00 0.00 H new ATOM 811 N VAL B 2 7.417 3.904 13.887 1.00 0.00 N ATOM 812 CA VAL B 2 7.357 2.748 14.767 1.00 0.00 C ATOM 813 C VAL B 2 7.477 1.464 13.944 1.00 0.00 C ATOM 814 O VAL B 2 7.443 0.351 14.472 1.00 0.00 O ATOM 815 CB VAL B 2 6.039 2.747 15.580 1.00 0.00 C ATOM 816 CG1 VAL B 2 4.841 2.537 14.667 1.00 0.00 C ATOM 817 CG2 VAL B 2 6.073 1.707 16.692 1.00 0.00 C ATOM 0 H VAL B 2 6.576 4.053 13.329 1.00 0.00 H new ATOM 0 HA VAL B 2 8.189 2.799 15.470 1.00 0.00 H new ATOM 0 HB VAL B 2 5.937 3.725 16.051 1.00 0.00 H new ATOM 0 HG11 VAL B 2 3.927 2.540 15.260 1.00 0.00 H new ATOM 0 HG12 VAL B 2 4.799 3.340 13.931 1.00 0.00 H new ATOM 0 HG13 VAL B 2 4.938 1.580 14.154 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.133 1.733 17.243 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.213 0.716 16.259 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.897 1.927 17.370 1.00 0.00 H new ATOM 827 N ILE B 3 7.646 1.632 12.642 1.00 0.00 N ATOM 828 CA ILE B 3 7.706 0.504 11.734 1.00 0.00 C ATOM 829 C ILE B 3 8.955 0.578 10.862 1.00 0.00 C ATOM 830 O ILE B 3 9.347 1.653 10.409 1.00 0.00 O ATOM 831 CB ILE B 3 6.444 0.437 10.837 1.00 0.00 C ATOM 832 CG1 ILE B 3 6.451 -0.839 9.988 1.00 0.00 C ATOM 833 CG2 ILE B 3 6.345 1.673 9.946 1.00 0.00 C ATOM 834 CD1 ILE B 3 5.213 -1.008 9.135 1.00 0.00 C ATOM 0 H ILE B 3 7.744 2.542 12.192 1.00 0.00 H new ATOM 0 HA ILE B 3 7.748 -0.401 12.339 1.00 0.00 H new ATOM 0 HB ILE B 3 5.568 0.414 11.486 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.329 -0.830 9.342 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.549 -1.702 10.646 1.00 0.00 H new ATOM 0 HG21 ILE B 3 5.452 1.604 9.325 1.00 0.00 H new ATOM 0 HG22 ILE B 3 6.286 2.566 10.568 1.00 0.00 H new ATOM 0 HG23 ILE B 3 7.226 1.733 9.308 1.00 0.00 H new ATOM 0 HD11 ILE B 3 5.289 -1.932 8.562 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.332 -1.050 9.776 1.00 0.00 H new ATOM 0 HD13 ILE B 3 5.124 -0.164 8.451 1.00 0.00 H new ATOM 846 N ALA B 4 9.600 -0.560 10.685 1.00 0.00 N ATOM 847 CA ALA B 4 10.698 -0.684 9.746 1.00 0.00 C ATOM 848 C ALA B 4 10.389 -1.797 8.757 1.00 0.00 C ATOM 849 O ALA B 4 9.746 -2.791 9.106 1.00 0.00 O ATOM 850 CB ALA B 4 12.002 -0.958 10.482 1.00 0.00 C ATOM 0 H ALA B 4 9.379 -1.421 11.186 1.00 0.00 H new ATOM 0 HA ALA B 4 10.816 0.253 9.201 1.00 0.00 H new ATOM 0 HB1 ALA B 4 12.815 -1.048 9.761 1.00 0.00 H new ATOM 0 HB2 ALA B 4 12.213 -0.136 11.166 1.00 0.00 H new ATOM 0 HB3 ALA B 4 11.913 -1.886 11.046 1.00 0.00 H new ATOM 856 N THR B 5 10.843 -1.619 7.521 1.00 0.00 N ATOM 857 CA THR B 5 10.548 -2.547 6.436 1.00 0.00 C ATOM 858 C THR B 5 11.114 -3.933 6.727 1.00 0.00 C ATOM 859 O THR B 5 10.698 -4.922 6.136 1.00 0.00 O ATOM 860 CB THR B 5 11.137 -2.035 5.108 1.00 0.00 C ATOM 861 OG1 THR B 5 11.102 -0.602 5.085 1.00 0.00 O ATOM 862 CG2 THR B 5 10.357 -2.579 3.919 1.00 0.00 C ATOM 0 H THR B 5 11.425 -0.829 7.244 1.00 0.00 H new ATOM 0 HA THR B 5 9.463 -2.615 6.353 1.00 0.00 H new ATOM 0 HB THR B 5 12.168 -2.382 5.035 1.00 0.00 H new ATOM 0 HG1 THR B 5 11.479 -0.279 4.240 1.00 0.00 H new ATOM 0 HG21 THR B 5 10.794 -2.202 2.994 1.00 0.00 H new ATOM 0 HG22 THR B 5 10.400 -3.668 3.923 1.00 0.00 H new ATOM 0 HG23 THR B 5 9.318 -2.257 3.987 1.00 0.00 H new ATOM 870 N ASP B 6 12.033 -3.994 7.678 1.00 0.00 N ATOM 871 CA ASP B 6 12.740 -5.224 7.992 1.00 0.00 C ATOM 872 C ASP B 6 11.927 -6.114 8.928 1.00 0.00 C ATOM 873 O ASP B 6 12.367 -7.201 9.297 1.00 0.00 O ATOM 874 CB ASP B 6 14.095 -4.897 8.625 1.00 0.00 C ATOM 875 CG ASP B 6 15.017 -4.155 7.674 1.00 0.00 C ATOM 876 OD1 ASP B 6 14.896 -2.913 7.557 1.00 0.00 O ATOM 877 OD2 ASP B 6 15.867 -4.810 7.036 1.00 0.00 O ATOM 0 H ASP B 6 12.308 -3.196 8.251 1.00 0.00 H new ATOM 0 HA ASP B 6 12.894 -5.771 7.062 1.00 0.00 H new ATOM 0 HB2 ASP B 6 13.939 -4.293 9.519 1.00 0.00 H new ATOM 0 HB3 ASP B 6 14.576 -5.822 8.945 1.00 0.00 H new ATOM 882 N ASP B 7 10.746 -5.646 9.330 1.00 0.00 N ATOM 883 CA ASP B 7 9.846 -6.465 10.139 1.00 0.00 C ATOM 884 C ASP B 7 8.692 -7.000 9.303 1.00 0.00 C ATOM 885 O ASP B 7 8.009 -7.948 9.701 1.00 0.00 O ATOM 886 CB ASP B 7 9.284 -5.661 11.318 1.00 0.00 C ATOM 887 CG ASP B 7 10.286 -5.479 12.440 1.00 0.00 C ATOM 888 OD1 ASP B 7 10.385 -6.375 13.306 1.00 0.00 O ATOM 889 OD2 ASP B 7 10.978 -4.443 12.466 1.00 0.00 O ATOM 0 H ASP B 7 10.393 -4.714 9.111 1.00 0.00 H new ATOM 0 HA ASP B 7 10.428 -7.304 10.521 1.00 0.00 H new ATOM 0 HB2 ASP B 7 8.962 -4.682 10.963 1.00 0.00 H new ATOM 0 HB3 ASP B 7 8.399 -6.166 11.706 1.00 0.00 H new ATOM 894 N LEU B 8 8.472 -6.398 8.143 1.00 0.00 N ATOM 895 CA LEU B 8 7.402 -6.838 7.254 1.00 0.00 C ATOM 896 C LEU B 8 7.977 -7.482 6.004 1.00 0.00 C ATOM 897 O LEU B 8 7.267 -8.150 5.249 1.00 0.00 O ATOM 898 CB LEU B 8 6.475 -5.680 6.881 1.00 0.00 C ATOM 899 CG LEU B 8 5.505 -5.239 7.983 1.00 0.00 C ATOM 900 CD1 LEU B 8 6.229 -4.496 9.094 1.00 0.00 C ATOM 901 CD2 LEU B 8 4.399 -4.377 7.400 1.00 0.00 C ATOM 0 H LEU B 8 9.016 -5.608 7.795 1.00 0.00 H new ATOM 0 HA LEU B 8 6.810 -7.581 7.789 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.086 -4.825 6.594 1.00 0.00 H new ATOM 0 HB3 LEU B 8 5.896 -5.967 6.003 1.00 0.00 H new ATOM 0 HG LEU B 8 5.061 -6.135 8.417 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.512 -4.197 9.859 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.982 -5.148 9.537 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.712 -3.609 8.684 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.718 -4.072 8.195 1.00 0.00 H new ATOM 0 HD22 LEU B 8 4.834 -3.492 6.935 1.00 0.00 H new ATOM 0 HD23 LEU B 8 3.850 -4.947 6.651 1.00 0.00 H new ATOM 913 N GLU B 9 9.267 -7.283 5.807 1.00 0.00 N ATOM 914 CA GLU B 9 9.993 -7.931 4.736 1.00 0.00 C ATOM 915 C GLU B 9 11.279 -8.522 5.289 1.00 0.00 C ATOM 916 O GLU B 9 12.006 -7.877 6.050 1.00 0.00 O ATOM 917 CB GLU B 9 10.296 -6.969 3.581 1.00 0.00 C ATOM 918 CG GLU B 9 9.056 -6.525 2.820 1.00 0.00 C ATOM 919 CD GLU B 9 9.381 -5.921 1.468 1.00 0.00 C ATOM 920 OE1 GLU B 9 10.012 -4.848 1.425 1.00 0.00 O ATOM 921 OE2 GLU B 9 9.005 -6.529 0.439 1.00 0.00 O ATOM 0 H GLU B 9 9.839 -6.668 6.386 1.00 0.00 H new ATOM 0 HA GLU B 9 9.366 -8.725 4.330 1.00 0.00 H new ATOM 0 HB2 GLU B 9 10.805 -6.089 3.975 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.985 -7.452 2.888 1.00 0.00 H new ATOM 0 HG2 GLU B 9 8.395 -7.380 2.681 1.00 0.00 H new ATOM 0 HG3 GLU B 9 8.511 -5.794 3.418 1.00 0.00 H new ATOM 928 N VAL B 10 11.536 -9.754 4.915 1.00 0.00 N ATOM 929 CA VAL B 10 12.690 -10.480 5.391 1.00 0.00 C ATOM 930 C VAL B 10 13.469 -11.012 4.199 1.00 0.00 C ATOM 931 O VAL B 10 12.879 -11.421 3.196 1.00 0.00 O ATOM 932 CB VAL B 10 12.271 -11.639 6.330 1.00 0.00 C ATOM 933 CG1 VAL B 10 11.313 -12.596 5.636 1.00 0.00 C ATOM 934 CG2 VAL B 10 13.490 -12.385 6.847 1.00 0.00 C ATOM 0 H VAL B 10 10.949 -10.282 4.270 1.00 0.00 H new ATOM 0 HA VAL B 10 13.322 -9.804 5.967 1.00 0.00 H new ATOM 0 HB VAL B 10 11.749 -11.201 7.181 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.039 -13.397 6.322 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.416 -12.056 5.332 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.797 -13.021 4.757 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.170 -13.194 7.504 1.00 0.00 H new ATOM 0 HG22 VAL B 10 14.047 -12.799 6.006 1.00 0.00 H new ATOM 0 HG23 VAL B 10 14.129 -11.698 7.402 1.00 0.00 H new ATOM 944 N ALA B 11 14.789 -10.971 4.289 1.00 0.00 N ATOM 945 CA ALA B 11 15.634 -11.431 3.208 1.00 0.00 C ATOM 946 C ALA B 11 15.455 -12.920 2.990 1.00 0.00 C ATOM 947 O ALA B 11 15.403 -13.703 3.938 1.00 0.00 O ATOM 948 CB ALA B 11 17.084 -11.094 3.518 1.00 0.00 C ATOM 0 H ALA B 11 15.295 -10.622 5.103 1.00 0.00 H new ATOM 0 HA ALA B 11 15.347 -10.925 2.286 1.00 0.00 H new ATOM 0 HB1 ALA B 11 17.720 -11.441 2.704 1.00 0.00 H new ATOM 0 HB2 ALA B 11 17.191 -10.015 3.628 1.00 0.00 H new ATOM 0 HB3 ALA B 11 17.381 -11.585 4.445 1.00 0.00 H new ATOM 954 N CYS B 12 15.335 -13.289 1.724 1.00 0.00 N ATOM 955 CA CYS B 12 14.990 -14.633 1.301 1.00 0.00 C ATOM 956 C CYS B 12 15.976 -15.713 1.742 1.00 0.00 C ATOM 957 O CYS B 12 17.040 -15.416 2.272 1.00 0.00 O ATOM 958 CB CYS B 12 14.926 -14.635 -0.214 1.00 0.00 C ATOM 959 SG CYS B 12 13.296 -14.983 -0.875 1.00 0.00 S ATOM 0 H CYS B 12 15.479 -12.645 0.946 1.00 0.00 H new ATOM 0 HA CYS B 12 14.040 -14.879 1.774 1.00 0.00 H new ATOM 0 HB2 CYS B 12 15.256 -13.664 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS B 12 15.628 -15.377 -0.596 1.00 0.00 H new ATOM 964 N PRO B 13 15.619 -16.997 1.513 1.00 0.00 N ATOM 965 CA PRO B 13 16.527 -18.129 1.728 1.00 0.00 C ATOM 966 C PRO B 13 17.921 -17.904 1.137 1.00 0.00 C ATOM 967 O PRO B 13 18.928 -18.194 1.780 1.00 0.00 O ATOM 968 CB PRO B 13 15.821 -19.262 0.986 1.00 0.00 C ATOM 969 CG PRO B 13 14.376 -18.968 1.151 1.00 0.00 C ATOM 970 CD PRO B 13 14.270 -17.463 1.098 1.00 0.00 C ATOM 0 HA PRO B 13 16.704 -18.313 2.788 1.00 0.00 H new ATOM 0 HB2 PRO B 13 16.104 -19.285 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO B 13 16.079 -20.234 1.407 1.00 0.00 H new ATOM 0 HG2 PRO B 13 13.787 -19.432 0.360 1.00 0.00 H new ATOM 0 HG3 PRO B 13 14.001 -19.356 2.098 1.00 0.00 H new ATOM 0 HD2 PRO B 13 14.017 -17.115 0.096 1.00 0.00 H new ATOM 0 HD3 PRO B 13 13.495 -17.093 1.769 1.00 0.00 H new ATOM 978 N LYS B 14 17.974 -17.353 -0.082 1.00 0.00 N ATOM 979 CA LYS B 14 19.261 -17.252 -0.768 1.00 0.00 C ATOM 980 C LYS B 14 19.303 -16.273 -1.956 1.00 0.00 C ATOM 981 O LYS B 14 20.347 -16.153 -2.589 1.00 0.00 O ATOM 982 CB LYS B 14 19.760 -18.648 -1.181 1.00 0.00 C ATOM 983 CG LYS B 14 19.043 -19.278 -2.370 1.00 0.00 C ATOM 984 CD LYS B 14 19.858 -19.121 -3.653 1.00 0.00 C ATOM 985 CE LYS B 14 19.447 -20.135 -4.710 1.00 0.00 C ATOM 986 NZ LYS B 14 19.667 -21.534 -4.256 1.00 0.00 N ATOM 0 H LYS B 14 17.173 -16.984 -0.595 1.00 0.00 H new ATOM 0 HA LYS B 14 19.940 -16.815 -0.036 1.00 0.00 H new ATOM 0 HB2 LYS B 14 20.823 -18.580 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS B 14 19.664 -19.317 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS B 14 18.869 -20.336 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS B 14 18.066 -18.812 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS B 14 19.727 -18.113 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS B 14 20.918 -19.240 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS B 14 18.394 -19.995 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS B 14 20.015 -19.957 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 19.773 -22.155 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 20.530 -21.579 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 18.853 -21.847 -3.690 1.00 0.00 H new ATOM 1000 N CYS B 15 18.216 -15.566 -2.300 1.00 0.00 N ATOM 1001 CA CYS B 15 18.344 -14.574 -3.381 1.00 0.00 C ATOM 1002 C CYS B 15 18.104 -13.151 -2.934 1.00 0.00 C ATOM 1003 O CYS B 15 17.512 -12.354 -3.676 1.00 0.00 O ATOM 1004 CB CYS B 15 17.313 -14.832 -4.473 1.00 0.00 C ATOM 1005 SG CYS B 15 15.598 -14.883 -3.871 1.00 0.00 S ATOM 0 H CYS B 15 17.292 -15.651 -1.877 1.00 0.00 H new ATOM 0 HA CYS B 15 19.371 -14.684 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS B 15 17.399 -14.053 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS B 15 17.545 -15.779 -4.961 1.00 0.00 H new ATOM 1010 N GLU B 16 18.619 -12.795 -1.795 1.00 0.00 N ATOM 1011 CA GLU B 16 18.378 -11.483 -1.256 1.00 0.00 C ATOM 1012 C GLU B 16 19.435 -10.491 -1.699 1.00 0.00 C ATOM 1013 O GLU B 16 19.824 -9.616 -0.929 1.00 0.00 O ATOM 1014 CB GLU B 16 18.345 -11.540 0.271 1.00 0.00 C ATOM 1015 CG GLU B 16 18.178 -12.942 0.827 1.00 0.00 C ATOM 1016 CD GLU B 16 19.493 -13.635 1.097 1.00 0.00 C ATOM 1017 OE1 GLU B 16 20.188 -13.264 2.064 1.00 0.00 O ATOM 1018 OE2 GLU B 16 19.832 -14.560 0.346 1.00 0.00 O ATOM 0 H GLU B 16 19.210 -13.393 -1.218 1.00 0.00 H new ATOM 0 HA GLU B 16 17.414 -11.146 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.268 -11.112 0.661 1.00 0.00 H new ATOM 0 HB3 GLU B 16 17.527 -10.916 0.631 1.00 0.00 H new ATOM 0 HG2 GLU B 16 17.604 -12.893 1.752 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.598 -13.539 0.123 1.00 0.00 H new ATOM 1025 N ARG B 17 19.914 -10.604 -2.940 1.00 0.00 N ATOM 1026 CA ARG B 17 20.817 -9.611 -3.479 1.00 0.00 C ATOM 1027 C ARG B 17 20.559 -9.507 -4.982 1.00 0.00 C ATOM 1028 O ARG B 17 20.913 -8.515 -5.613 1.00 0.00 O ATOM 1029 CB ARG B 17 22.301 -9.917 -3.215 1.00 0.00 C ATOM 1030 CG ARG B 17 22.876 -11.102 -3.985 1.00 0.00 C ATOM 1031 CD ARG B 17 22.677 -12.404 -3.236 1.00 0.00 C ATOM 1032 NE ARG B 17 23.023 -12.256 -1.827 1.00 0.00 N ATOM 1033 CZ ARG B 17 22.547 -13.032 -0.867 1.00 0.00 C ATOM 1034 NH1 ARG B 17 21.884 -14.135 -1.178 1.00 0.00 N ATOM 1035 NH2 ARG B 17 22.774 -12.729 0.403 1.00 0.00 N ATOM 0 H ARG B 17 19.689 -11.368 -3.577 1.00 0.00 H new ATOM 0 HA ARG B 17 20.619 -8.667 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG B 17 22.886 -9.030 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.432 -10.102 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG B 17 22.399 -11.167 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG B 17 23.940 -10.941 -4.160 1.00 0.00 H new ATOM 0 HD2 ARG B 17 21.639 -12.725 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG B 17 23.292 -13.183 -3.685 1.00 0.00 H new ATOM 0 HE ARG B 17 23.669 -11.511 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG B 17 21.741 -14.385 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG B 17 21.516 -14.734 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG B 17 23.316 -11.898 0.640 1.00 0.00 H new ATOM 0 HH22 ARG B 17 22.407 -13.327 1.143 1.00 0.00 H new ATOM 1049 N ALA B 18 19.917 -10.548 -5.552 1.00 0.00 N ATOM 1050 CA ALA B 18 19.773 -10.629 -7.004 1.00 0.00 C ATOM 1051 C ALA B 18 18.329 -10.833 -7.453 1.00 0.00 C ATOM 1052 O ALA B 18 17.965 -10.478 -8.577 1.00 0.00 O ATOM 1053 CB ALA B 18 20.659 -11.729 -7.562 1.00 0.00 C ATOM 0 H ALA B 18 19.502 -11.323 -5.035 1.00 0.00 H new ATOM 0 HA ALA B 18 20.090 -9.665 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA B 18 20.541 -11.777 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA B 18 21.700 -11.516 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA B 18 20.373 -12.685 -7.123 1.00 0.00 H new ATOM 1059 N GLY B 19 17.502 -11.397 -6.574 1.00 0.00 N ATOM 1060 CA GLY B 19 16.101 -11.586 -6.898 1.00 0.00 C ATOM 1061 C GLY B 19 15.844 -12.750 -7.840 1.00 0.00 C ATOM 1062 O GLY B 19 14.919 -12.702 -8.648 1.00 0.00 O ATOM 0 H GLY B 19 17.778 -11.724 -5.648 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.542 -11.746 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY B 19 15.715 -10.672 -7.350 1.00 0.00 H new ATOM 1066 N GLU B 20 16.627 -13.812 -7.714 1.00 0.00 N ATOM 1067 CA GLU B 20 16.461 -14.977 -8.576 1.00 0.00 C ATOM 1068 C GLU B 20 16.946 -16.243 -7.896 1.00 0.00 C ATOM 1069 O GLU B 20 17.726 -16.204 -6.949 1.00 0.00 O ATOM 1070 CB GLU B 20 17.201 -14.793 -9.904 1.00 0.00 C ATOM 1071 CG GLU B 20 18.647 -14.352 -9.752 1.00 0.00 C ATOM 1072 CD GLU B 20 19.361 -14.251 -11.080 1.00 0.00 C ATOM 1073 OE1 GLU B 20 19.181 -13.231 -11.779 1.00 0.00 O ATOM 1074 OE2 GLU B 20 20.105 -15.186 -11.434 1.00 0.00 O ATOM 0 H GLU B 20 17.379 -13.893 -7.029 1.00 0.00 H new ATOM 0 HA GLU B 20 15.394 -15.075 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU B 20 17.175 -15.733 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU B 20 16.669 -14.056 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU B 20 18.678 -13.384 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU B 20 19.174 -15.059 -9.112 1.00 0.00 H new ATOM 1081 N ILE B 21 16.479 -17.364 -8.393 1.00 0.00 N ATOM 1082 CA ILE B 21 16.911 -18.657 -7.918 1.00 0.00 C ATOM 1083 C ILE B 21 17.454 -19.420 -9.105 1.00 0.00 C ATOM 1084 O ILE B 21 16.686 -19.947 -9.905 1.00 0.00 O ATOM 1085 CB ILE B 21 15.759 -19.465 -7.268 1.00 0.00 C ATOM 1086 CG1 ILE B 21 15.185 -18.726 -6.056 1.00 0.00 C ATOM 1087 CG2 ILE B 21 16.234 -20.854 -6.864 1.00 0.00 C ATOM 1088 CD1 ILE B 21 16.135 -18.600 -4.883 1.00 0.00 C ATOM 0 H ILE B 21 15.786 -17.405 -9.141 1.00 0.00 H new ATOM 0 HA ILE B 21 17.669 -18.513 -7.148 1.00 0.00 H new ATOM 0 HB ILE B 21 14.967 -19.572 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE B 21 14.880 -17.727 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE B 21 14.286 -19.245 -5.724 1.00 0.00 H new ATOM 0 HG21 ILE B 21 15.409 -21.403 -6.410 1.00 0.00 H new ATOM 0 HG22 ILE B 21 16.584 -21.390 -7.746 1.00 0.00 H new ATOM 0 HG23 ILE B 21 17.049 -20.765 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE B 21 15.643 -18.063 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE B 21 16.422 -19.594 -4.539 1.00 0.00 H new ATOM 0 HD13 ILE B 21 17.025 -18.052 -5.193 1.00 0.00 H new ATOM 1100 N GLU B 22 18.773 -19.435 -9.231 1.00 0.00 N ATOM 1101 CA GLU B 22 19.433 -20.118 -10.336 1.00 0.00 C ATOM 1102 C GLU B 22 19.078 -19.479 -11.674 1.00 0.00 C ATOM 1103 O GLU B 22 18.667 -20.169 -12.605 1.00 0.00 O ATOM 1104 CB GLU B 22 18.997 -21.576 -10.338 1.00 0.00 C ATOM 1105 CG GLU B 22 19.950 -22.507 -11.059 1.00 0.00 C ATOM 1106 CD GLU B 22 19.897 -23.921 -10.526 1.00 0.00 C ATOM 1107 OE1 GLU B 22 19.035 -24.700 -10.978 1.00 0.00 O ATOM 1108 OE2 GLU B 22 20.723 -24.260 -9.652 1.00 0.00 O ATOM 0 H GLU B 22 19.411 -18.980 -8.578 1.00 0.00 H new ATOM 0 HA GLU B 22 20.512 -20.040 -10.202 1.00 0.00 H new ATOM 0 HB2 GLU B 22 18.888 -21.913 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU B 22 18.014 -21.649 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU B 22 19.710 -22.514 -12.122 1.00 0.00 H new ATOM 0 HG3 GLU B 22 20.966 -22.125 -10.964 1.00 0.00 H new ATOM 1115 N GLY B 23 19.226 -18.164 -11.778 1.00 0.00 N ATOM 1116 CA GLY B 23 18.819 -17.472 -12.992 1.00 0.00 C ATOM 1117 C GLY B 23 17.345 -17.624 -13.287 1.00 0.00 C ATOM 1118 O GLY B 23 16.861 -17.213 -14.343 1.00 0.00 O ATOM 0 H GLY B 23 19.617 -17.566 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY B 23 19.059 -16.413 -12.899 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.395 -17.856 -13.834 1.00 0.00 H new ATOM 1122 N THR B 24 16.635 -18.215 -12.354 1.00 0.00 N ATOM 1123 CA THR B 24 15.258 -18.582 -12.549 1.00 0.00 C ATOM 1124 C THR B 24 14.361 -17.867 -11.520 1.00 0.00 C ATOM 1125 O THR B 24 14.797 -17.594 -10.403 1.00 0.00 O ATOM 1126 CB THR B 24 15.203 -20.119 -12.439 1.00 0.00 C ATOM 1127 OG1 THR B 24 15.277 -20.700 -13.746 1.00 0.00 O ATOM 1128 CG2 THR B 24 13.979 -20.637 -11.704 1.00 0.00 C ATOM 0 H THR B 24 17.002 -18.455 -11.433 1.00 0.00 H new ATOM 0 HA THR B 24 14.880 -18.273 -13.523 1.00 0.00 H new ATOM 0 HB THR B 24 16.063 -20.418 -11.840 1.00 0.00 H new ATOM 0 HG1 THR B 24 15.244 -21.677 -13.672 1.00 0.00 H new ATOM 0 HG21 THR B 24 14.011 -21.726 -11.667 1.00 0.00 H new ATOM 0 HG22 THR B 24 13.969 -20.240 -10.689 1.00 0.00 H new ATOM 0 HG23 THR B 24 13.078 -20.318 -12.228 1.00 0.00 H new ATOM 1136 N PRO B 25 13.113 -17.517 -11.905 1.00 0.00 N ATOM 1137 CA PRO B 25 12.185 -16.754 -11.049 1.00 0.00 C ATOM 1138 C PRO B 25 11.970 -17.405 -9.686 1.00 0.00 C ATOM 1139 O PRO B 25 11.673 -18.594 -9.587 1.00 0.00 O ATOM 1140 CB PRO B 25 10.877 -16.733 -11.851 1.00 0.00 C ATOM 1141 CG PRO B 25 11.027 -17.830 -12.848 1.00 0.00 C ATOM 1142 CD PRO B 25 12.487 -17.847 -13.194 1.00 0.00 C ATOM 0 HA PRO B 25 12.574 -15.761 -10.825 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.014 -16.899 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.728 -15.771 -12.341 1.00 0.00 H new ATOM 0 HG2 PRO B 25 10.709 -18.786 -12.433 1.00 0.00 H new ATOM 0 HG3 PRO B 25 10.415 -17.647 -13.731 1.00 0.00 H new ATOM 0 HD2 PRO B 25 12.807 -18.821 -13.565 1.00 0.00 H new ATOM 0 HD3 PRO B 25 12.732 -17.116 -13.965 1.00 0.00 H new ATOM 1150 N CYS B 26 12.130 -16.611 -8.637 1.00 0.00 N ATOM 1151 CA CYS B 26 12.070 -17.114 -7.283 1.00 0.00 C ATOM 1152 C CYS B 26 10.634 -17.250 -6.760 1.00 0.00 C ATOM 1153 O CYS B 26 9.816 -16.348 -6.933 1.00 0.00 O ATOM 1154 CB CYS B 26 12.888 -16.200 -6.384 1.00 0.00 C ATOM 1155 SG CYS B 26 12.965 -16.753 -4.657 1.00 0.00 S ATOM 0 H CYS B 26 12.304 -15.608 -8.705 1.00 0.00 H new ATOM 0 HA CYS B 26 12.487 -18.121 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS B 26 13.901 -16.129 -6.779 1.00 0.00 H new ATOM 0 HB3 CYS B 26 12.462 -15.197 -6.416 1.00 0.00 H new ATOM 1160 N PRO B 27 10.357 -18.390 -6.079 1.00 0.00 N ATOM 1161 CA PRO B 27 9.046 -18.761 -5.516 1.00 0.00 C ATOM 1162 C PRO B 27 8.167 -17.602 -5.030 1.00 0.00 C ATOM 1163 O PRO B 27 7.046 -17.421 -5.499 1.00 0.00 O ATOM 1164 CB PRO B 27 9.457 -19.616 -4.319 1.00 0.00 C ATOM 1165 CG PRO B 27 10.710 -20.309 -4.735 1.00 0.00 C ATOM 1166 CD PRO B 27 11.337 -19.470 -5.834 1.00 0.00 C ATOM 0 HA PRO B 27 8.426 -19.235 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO B 27 9.624 -19.000 -3.436 1.00 0.00 H new ATOM 0 HB3 PRO B 27 8.678 -20.334 -4.064 1.00 0.00 H new ATOM 0 HG2 PRO B 27 11.392 -20.412 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO B 27 10.493 -21.315 -5.094 1.00 0.00 H new ATOM 0 HD2 PRO B 27 12.302 -19.068 -5.525 1.00 0.00 H new ATOM 0 HD3 PRO B 27 11.511 -20.060 -6.734 1.00 0.00 H new ATOM 1174 N ALA B 28 8.696 -16.806 -4.108 1.00 0.00 N ATOM 1175 CA ALA B 28 7.873 -15.843 -3.378 1.00 0.00 C ATOM 1176 C ALA B 28 8.375 -14.414 -3.564 1.00 0.00 C ATOM 1177 O ALA B 28 7.729 -13.454 -3.150 1.00 0.00 O ATOM 1178 CB ALA B 28 7.819 -16.208 -1.900 1.00 0.00 C ATOM 0 H ALA B 28 9.682 -16.806 -3.848 1.00 0.00 H new ATOM 0 HA ALA B 28 6.864 -15.888 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.203 -15.483 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.388 -17.203 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.827 -16.200 -1.486 1.00 0.00 H new ATOM 1184 N CYS B 29 9.535 -14.276 -4.187 1.00 0.00 N ATOM 1185 CA CYS B 29 10.091 -12.962 -4.463 1.00 0.00 C ATOM 1186 C CYS B 29 10.501 -12.871 -5.928 1.00 0.00 C ATOM 1187 O CYS B 29 11.591 -13.309 -6.303 1.00 0.00 O ATOM 1188 CB CYS B 29 11.295 -12.677 -3.544 1.00 0.00 C ATOM 1189 SG CYS B 29 12.736 -13.761 -3.804 1.00 0.00 S ATOM 0 H CYS B 29 10.108 -15.056 -4.510 1.00 0.00 H new ATOM 0 HA CYS B 29 9.329 -12.209 -4.263 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.607 -11.643 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS B 29 10.972 -12.770 -2.507 1.00 0.00 H new ATOM 1194 N SER B 30 9.628 -12.324 -6.765 1.00 0.00 N ATOM 1195 CA SER B 30 9.880 -12.225 -8.196 1.00 0.00 C ATOM 1196 C SER B 30 10.878 -11.114 -8.538 1.00 0.00 C ATOM 1197 O SER B 30 10.615 -10.258 -9.388 1.00 0.00 O ATOM 1198 CB SER B 30 8.545 -11.985 -8.903 1.00 0.00 C ATOM 1199 OG SER B 30 7.761 -11.047 -8.178 1.00 0.00 O ATOM 0 H SER B 30 8.730 -11.939 -6.472 1.00 0.00 H new ATOM 0 HA SER B 30 10.332 -13.157 -8.536 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.723 -11.616 -9.913 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.002 -12.926 -8.998 1.00 0.00 H new ATOM 0 HG SER B 30 6.911 -10.902 -8.643 1.00 0.00 H new ATOM 1205 N GLY B 31 12.018 -11.127 -7.865 1.00 0.00 N ATOM 1206 CA GLY B 31 13.076 -10.203 -8.193 1.00 0.00 C ATOM 1207 C GLY B 31 13.104 -8.985 -7.297 1.00 0.00 C ATOM 1208 O GLY B 31 13.142 -7.857 -7.788 1.00 0.00 O ATOM 0 H GLY B 31 12.227 -11.764 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY B 31 14.034 -10.719 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY B 31 12.961 -9.882 -9.228 1.00 0.00 H new ATOM 1212 N LYS B 32 13.075 -9.194 -5.982 1.00 0.00 N ATOM 1213 CA LYS B 32 13.190 -8.095 -5.031 1.00 0.00 C ATOM 1214 C LYS B 32 14.438 -8.298 -4.178 1.00 0.00 C ATOM 1215 O LYS B 32 15.226 -7.382 -3.962 1.00 0.00 O ATOM 1216 CB LYS B 32 11.984 -8.059 -4.087 1.00 0.00 C ATOM 1217 CG LYS B 32 10.655 -8.385 -4.737 1.00 0.00 C ATOM 1218 CD LYS B 32 9.557 -8.448 -3.692 1.00 0.00 C ATOM 1219 CE LYS B 32 8.268 -9.004 -4.262 1.00 0.00 C ATOM 1220 NZ LYS B 32 7.735 -8.167 -5.373 1.00 0.00 N ATOM 0 H LYS B 32 12.973 -10.114 -5.553 1.00 0.00 H new ATOM 0 HA LYS B 32 13.242 -7.164 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS B 32 12.157 -8.764 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.920 -7.067 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.413 -7.628 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.723 -9.339 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.884 -9.070 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.377 -7.450 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS B 32 8.441 -10.018 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS B 32 7.522 -9.071 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 6.796 -8.517 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 7.657 -7.179 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 8.380 -8.220 -6.187 1.00 0.00 H new ATOM 1234 N GLY B 33 14.600 -9.533 -3.698 1.00 0.00 N ATOM 1235 CA GLY B 33 15.623 -9.848 -2.741 1.00 0.00 C ATOM 1236 C GLY B 33 15.001 -10.330 -1.448 1.00 0.00 C ATOM 1237 O GLY B 33 15.473 -11.287 -0.838 1.00 0.00 O ATOM 0 H GLY B 33 14.021 -10.328 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.283 -10.616 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY B 33 16.237 -8.967 -2.551 1.00 0.00 H new ATOM 1241 N VAL B 34 13.893 -9.712 -1.067 1.00 0.00 N ATOM 1242 CA VAL B 34 13.232 -10.035 0.190 1.00 0.00 C ATOM 1243 C VAL B 34 11.827 -10.592 -0.036 1.00 0.00 C ATOM 1244 O VAL B 34 11.272 -10.491 -1.135 1.00 0.00 O ATOM 1245 CB VAL B 34 13.136 -8.786 1.099 1.00 0.00 C ATOM 1246 CG1 VAL B 34 14.521 -8.265 1.458 1.00 0.00 C ATOM 1247 CG2 VAL B 34 12.321 -7.692 0.425 1.00 0.00 C ATOM 0 H VAL B 34 13.432 -8.983 -1.611 1.00 0.00 H new ATOM 0 HA VAL B 34 13.838 -10.799 0.677 1.00 0.00 H new ATOM 0 HB VAL B 34 12.631 -9.080 2.019 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.425 -7.387 2.097 1.00 0.00 H new ATOM 0 HG12 VAL B 34 15.076 -9.040 1.987 1.00 0.00 H new ATOM 0 HG13 VAL B 34 15.055 -7.994 0.547 1.00 0.00 H new ATOM 0 HG21 VAL B 34 12.266 -6.823 1.081 1.00 0.00 H new ATOM 0 HG22 VAL B 34 12.798 -7.409 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL B 34 11.315 -8.059 0.224 1.00 0.00 H new ATOM 1257 N ILE B 35 11.283 -11.206 1.007 1.00 0.00 N ATOM 1258 CA ILE B 35 9.905 -11.683 1.012 1.00 0.00 C ATOM 1259 C ILE B 35 9.157 -11.102 2.206 1.00 0.00 C ATOM 1260 O ILE B 35 9.765 -10.567 3.127 1.00 0.00 O ATOM 1261 CB ILE B 35 9.822 -13.224 1.077 1.00 0.00 C ATOM 1262 CG1 ILE B 35 10.747 -13.761 2.175 1.00 0.00 C ATOM 1263 CG2 ILE B 35 10.162 -13.837 -0.271 1.00 0.00 C ATOM 1264 CD1 ILE B 35 10.692 -15.266 2.342 1.00 0.00 C ATOM 0 H ILE B 35 11.786 -11.388 1.876 1.00 0.00 H new ATOM 0 HA ILE B 35 9.450 -11.354 0.078 1.00 0.00 H new ATOM 0 HB ILE B 35 8.799 -13.507 1.324 1.00 0.00 H new ATOM 0 HG12 ILE B 35 11.772 -13.468 1.949 1.00 0.00 H new ATOM 0 HG13 ILE B 35 10.482 -13.290 3.122 1.00 0.00 H new ATOM 0 HG21 ILE B 35 10.098 -14.923 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE B 35 9.458 -13.478 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE B 35 11.174 -13.551 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE B 35 11.373 -15.569 3.137 1.00 0.00 H new ATOM 0 HD12 ILE B 35 9.677 -15.567 2.600 1.00 0.00 H new ATOM 0 HD13 ILE B 35 10.986 -15.747 1.409 1.00 0.00 H new ATOM 1276 N LEU B 36 7.842 -11.222 2.188 1.00 0.00 N ATOM 1277 CA LEU B 36 7.005 -10.607 3.211 1.00 0.00 C ATOM 1278 C LEU B 36 6.803 -11.512 4.420 1.00 0.00 C ATOM 1279 O LEU B 36 7.057 -12.718 4.372 1.00 0.00 O ATOM 1280 CB LEU B 36 5.639 -10.236 2.626 1.00 0.00 C ATOM 1281 CG LEU B 36 5.679 -9.326 1.397 1.00 0.00 C ATOM 1282 CD1 LEU B 36 5.783 -10.138 0.112 1.00 0.00 C ATOM 1283 CD2 LEU B 36 4.461 -8.431 1.370 1.00 0.00 C ATOM 0 H LEU B 36 7.327 -11.740 1.476 1.00 0.00 H new ATOM 0 HA LEU B 36 7.527 -9.711 3.547 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.114 -11.154 2.361 1.00 0.00 H new ATOM 0 HB3 LEU B 36 5.051 -9.745 3.402 1.00 0.00 H new ATOM 0 HG LEU B 36 6.570 -8.701 1.464 1.00 0.00 H new ATOM 0 HD11 LEU B 36 5.809 -9.463 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU B 36 6.695 -10.735 0.132 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.919 -10.798 0.027 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.501 -7.788 0.491 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.560 -9.043 1.331 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.442 -7.815 2.269 1.00 0.00 H new ATOM 1295 N THR B 37 6.339 -10.903 5.503 1.00 0.00 N ATOM 1296 CA THR B 37 5.947 -11.625 6.702 1.00 0.00 C ATOM 1297 C THR B 37 4.428 -11.637 6.782 1.00 0.00 C ATOM 1298 O THR B 37 3.781 -11.036 5.936 1.00 0.00 O ATOM 1299 CB THR B 37 6.516 -10.956 7.971 1.00 0.00 C ATOM 1300 OG1 THR B 37 6.008 -9.619 8.094 1.00 0.00 O ATOM 1301 CG2 THR B 37 8.034 -10.909 7.932 1.00 0.00 C ATOM 0 H THR B 37 6.224 -9.892 5.573 1.00 0.00 H new ATOM 0 HA THR B 37 6.343 -12.639 6.647 1.00 0.00 H new ATOM 0 HB THR B 37 6.205 -11.551 8.829 1.00 0.00 H new ATOM 0 HG1 THR B 37 6.241 -9.260 8.976 1.00 0.00 H new ATOM 0 HG21 THR B 37 8.407 -10.432 8.839 1.00 0.00 H new ATOM 0 HG22 THR B 37 8.428 -11.923 7.867 1.00 0.00 H new ATOM 0 HG23 THR B 37 8.358 -10.337 7.062 1.00 0.00 H new ATOM 1309 N ALA B 38 3.853 -12.296 7.777 1.00 0.00 N ATOM 1310 CA ALA B 38 2.396 -12.384 7.888 1.00 0.00 C ATOM 1311 C ALA B 38 1.755 -10.998 7.926 1.00 0.00 C ATOM 1312 O ALA B 38 0.756 -10.750 7.245 1.00 0.00 O ATOM 1313 CB ALA B 38 2.008 -13.194 9.109 1.00 0.00 C ATOM 0 H ALA B 38 4.365 -12.776 8.517 1.00 0.00 H new ATOM 0 HA ALA B 38 2.020 -12.893 7.001 1.00 0.00 H new ATOM 0 HB1 ALA B 38 0.922 -13.250 9.178 1.00 0.00 H new ATOM 0 HB2 ALA B 38 2.419 -14.200 9.024 1.00 0.00 H new ATOM 0 HB3 ALA B 38 2.404 -12.715 10.004 1.00 0.00 H new ATOM 1319 N GLN B 39 2.325 -10.096 8.718 1.00 0.00 N ATOM 1320 CA GLN B 39 1.856 -8.718 8.745 1.00 0.00 C ATOM 1321 C GLN B 39 1.997 -8.065 7.371 1.00 0.00 C ATOM 1322 O GLN B 39 1.078 -7.395 6.899 1.00 0.00 O ATOM 1323 CB GLN B 39 2.614 -7.911 9.798 1.00 0.00 C ATOM 1324 CG GLN B 39 2.136 -6.474 9.906 1.00 0.00 C ATOM 1325 CD GLN B 39 2.813 -5.713 11.022 1.00 0.00 C ATOM 1326 OE1 GLN B 39 3.210 -6.290 12.033 1.00 0.00 O ATOM 1327 NE2 GLN B 39 2.928 -4.409 10.852 1.00 0.00 N ATOM 0 H GLN B 39 3.106 -10.293 9.344 1.00 0.00 H new ATOM 0 HA GLN B 39 0.799 -8.729 9.011 1.00 0.00 H new ATOM 0 HB2 GLN B 39 2.505 -8.397 10.767 1.00 0.00 H new ATOM 0 HB3 GLN B 39 3.677 -7.917 9.556 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.320 -5.963 8.961 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.058 -6.466 10.069 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.584 -3.974 9.996 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.361 -3.836 11.577 1.00 0.00 H new ATOM 1336 N GLY B 40 3.137 -8.280 6.725 1.00 0.00 N ATOM 1337 CA GLY B 40 3.347 -7.742 5.396 1.00 0.00 C ATOM 1338 C GLY B 40 2.425 -8.381 4.375 1.00 0.00 C ATOM 1339 O GLY B 40 2.036 -7.750 3.398 1.00 0.00 O ATOM 0 H GLY B 40 3.919 -8.817 7.099 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.182 -6.665 5.410 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.384 -7.902 5.099 1.00 0.00 H new ATOM 1343 N TYR B 41 2.060 -9.632 4.619 1.00 0.00 N ATOM 1344 CA TYR B 41 1.144 -10.357 3.751 1.00 0.00 C ATOM 1345 C TYR B 41 -0.266 -9.810 3.863 1.00 0.00 C ATOM 1346 O TYR B 41 -1.008 -9.783 2.879 1.00 0.00 O ATOM 1347 CB TYR B 41 1.146 -11.842 4.125 1.00 0.00 C ATOM 1348 CG TYR B 41 2.055 -12.709 3.279 1.00 0.00 C ATOM 1349 CD1 TYR B 41 3.404 -12.835 3.577 1.00 0.00 C ATOM 1350 CD2 TYR B 41 1.557 -13.414 2.190 1.00 0.00 C ATOM 1351 CE1 TYR B 41 4.233 -13.634 2.813 1.00 0.00 C ATOM 1352 CE2 TYR B 41 2.380 -14.218 1.423 1.00 0.00 C ATOM 1353 CZ TYR B 41 3.717 -14.324 1.741 1.00 0.00 C ATOM 1354 OH TYR B 41 4.540 -15.123 0.981 1.00 0.00 O ATOM 0 H TYR B 41 2.389 -10.170 5.420 1.00 0.00 H new ATOM 0 HA TYR B 41 1.481 -10.232 2.722 1.00 0.00 H new ATOM 0 HB2 TYR B 41 1.444 -11.939 5.169 1.00 0.00 H new ATOM 0 HB3 TYR B 41 0.128 -12.223 4.047 1.00 0.00 H new ATOM 0 HD1 TYR B 41 3.813 -12.299 4.421 1.00 0.00 H new ATOM 0 HD2 TYR B 41 0.510 -13.333 1.939 1.00 0.00 H new ATOM 0 HE1 TYR B 41 5.282 -13.716 3.057 1.00 0.00 H new ATOM 0 HE2 TYR B 41 1.978 -14.760 0.580 1.00 0.00 H new ATOM 0 HH TYR B 41 4.019 -15.540 0.264 1.00 0.00 H new ATOM 1364 N THR B 42 -0.629 -9.350 5.045 1.00 0.00 N ATOM 1365 CA THR B 42 -1.910 -8.689 5.232 1.00 0.00 C ATOM 1366 C THR B 42 -1.912 -7.344 4.512 1.00 0.00 C ATOM 1367 O THR B 42 -2.928 -6.906 3.965 1.00 0.00 O ATOM 1368 CB THR B 42 -2.177 -8.460 6.726 1.00 0.00 C ATOM 1369 OG1 THR B 42 -2.048 -9.696 7.432 1.00 0.00 O ATOM 1370 CG2 THR B 42 -3.560 -7.876 6.957 1.00 0.00 C ATOM 0 H THR B 42 -0.059 -9.420 5.888 1.00 0.00 H new ATOM 0 HA THR B 42 -2.692 -9.327 4.819 1.00 0.00 H new ATOM 0 HB THR B 42 -1.443 -7.745 7.098 1.00 0.00 H new ATOM 0 HG1 THR B 42 -1.104 -9.957 7.465 1.00 0.00 H new ATOM 0 HG21 THR B 42 -3.718 -7.726 8.025 1.00 0.00 H new ATOM 0 HG22 THR B 42 -3.642 -6.920 6.440 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.314 -8.563 6.572 1.00 0.00 H new ATOM 1378 N LEU B 43 -0.741 -6.728 4.462 1.00 0.00 N ATOM 1379 CA LEU B 43 -0.599 -5.416 3.863 1.00 0.00 C ATOM 1380 C LEU B 43 -0.355 -5.536 2.365 1.00 0.00 C ATOM 1381 O LEU B 43 -0.461 -4.549 1.651 1.00 0.00 O ATOM 1382 CB LEU B 43 0.550 -4.627 4.519 1.00 0.00 C ATOM 1383 CG LEU B 43 0.147 -3.574 5.574 1.00 0.00 C ATOM 1384 CD1 LEU B 43 -0.726 -4.191 6.653 1.00 0.00 C ATOM 1385 CD2 LEU B 43 1.393 -2.961 6.192 1.00 0.00 C ATOM 0 H LEU B 43 0.126 -7.120 4.831 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.529 -4.873 4.030 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.228 -5.339 4.989 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.112 -4.124 3.732 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.430 -2.793 5.079 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.996 -3.428 7.383 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.631 -4.597 6.201 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.179 -4.992 7.150 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.103 -2.219 6.936 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.984 -3.742 6.670 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.987 -2.482 5.414 1.00 0.00 H new ATOM 1397 N LEU B 44 -0.055 -6.738 1.867 1.00 0.00 N ATOM 1398 CA LEU B 44 0.192 -6.897 0.441 1.00 0.00 C ATOM 1399 C LEU B 44 -1.122 -7.125 -0.300 1.00 0.00 C ATOM 1400 O LEU B 44 -1.358 -6.523 -1.337 1.00 0.00 O ATOM 1401 CB LEU B 44 1.221 -8.021 0.152 1.00 0.00 C ATOM 1402 CG LEU B 44 0.692 -9.459 -0.035 1.00 0.00 C ATOM 1403 CD1 LEU B 44 0.099 -9.656 -1.428 1.00 0.00 C ATOM 1404 CD2 LEU B 44 1.806 -10.473 0.171 1.00 0.00 C ATOM 0 H LEU B 44 0.020 -7.593 2.418 1.00 0.00 H new ATOM 0 HA LEU B 44 0.636 -5.973 0.070 1.00 0.00 H new ATOM 0 HB2 LEU B 44 1.770 -7.747 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU B 44 1.940 -8.034 0.971 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.089 -9.613 0.710 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.264 -10.679 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -0.728 -8.961 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU B 44 0.866 -9.469 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU B 44 1.411 -11.480 0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 44 2.600 -10.293 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU B 44 2.206 -10.374 1.180 1.00 0.00 H new ATOM 1416 N ASP B 45 -1.992 -7.967 0.250 1.00 0.00 N ATOM 1417 CA ASP B 45 -3.256 -8.290 -0.411 1.00 0.00 C ATOM 1418 C ASP B 45 -4.192 -7.098 -0.357 1.00 0.00 C ATOM 1419 O ASP B 45 -5.074 -6.939 -1.201 1.00 0.00 O ATOM 1420 CB ASP B 45 -3.914 -9.503 0.250 1.00 0.00 C ATOM 1421 CG ASP B 45 -5.173 -9.951 -0.471 1.00 0.00 C ATOM 1422 OD1 ASP B 45 -5.051 -10.552 -1.557 1.00 0.00 O ATOM 1423 OD2 ASP B 45 -6.284 -9.717 0.047 1.00 0.00 O ATOM 0 H ASP B 45 -1.849 -8.436 1.145 1.00 0.00 H new ATOM 0 HA ASP B 45 -3.049 -8.533 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -3.202 -10.328 0.277 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -4.159 -9.260 1.284 1.00 0.00 H new ATOM 1428 N PHE B 46 -3.957 -6.230 0.611 1.00 0.00 N ATOM 1429 CA PHE B 46 -4.706 -4.996 0.729 1.00 0.00 C ATOM 1430 C PHE B 46 -4.265 -4.010 -0.334 1.00 0.00 C ATOM 1431 O PHE B 46 -5.091 -3.353 -0.968 1.00 0.00 O ATOM 1432 CB PHE B 46 -4.426 -4.406 2.113 1.00 0.00 C ATOM 1433 CG PHE B 46 -5.221 -3.183 2.467 1.00 0.00 C ATOM 1434 CD1 PHE B 46 -4.756 -1.920 2.142 1.00 0.00 C ATOM 1435 CD2 PHE B 46 -6.420 -3.299 3.150 1.00 0.00 C ATOM 1436 CE1 PHE B 46 -5.472 -0.794 2.489 1.00 0.00 C ATOM 1437 CE2 PHE B 46 -7.143 -2.175 3.496 1.00 0.00 C ATOM 1438 CZ PHE B 46 -6.667 -0.922 3.166 1.00 0.00 C ATOM 0 H PHE B 46 -3.247 -6.361 1.331 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.770 -5.194 0.599 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.620 -5.174 2.862 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.366 -4.160 2.176 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -3.822 -1.816 1.611 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -6.793 -4.278 3.414 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -5.098 0.186 2.231 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.080 -2.276 4.024 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.230 -0.042 3.438 1.00 0.00 H new ATOM 1448 N ILE B 47 -2.972 -3.926 -0.558 1.00 0.00 N ATOM 1449 CA ILE B 47 -2.470 -2.977 -1.523 1.00 0.00 C ATOM 1450 C ILE B 47 -2.636 -3.509 -2.946 1.00 0.00 C ATOM 1451 O ILE B 47 -2.809 -2.739 -3.890 1.00 0.00 O ATOM 1452 CB ILE B 47 -1.008 -2.586 -1.235 1.00 0.00 C ATOM 1453 CG1 ILE B 47 -0.096 -3.816 -1.248 1.00 0.00 C ATOM 1454 CG2 ILE B 47 -0.933 -1.883 0.110 1.00 0.00 C ATOM 1455 CD1 ILE B 47 1.344 -3.518 -0.881 1.00 0.00 C ATOM 0 H ILE B 47 -2.262 -4.492 -0.094 1.00 0.00 H new ATOM 0 HA ILE B 47 -3.065 -2.069 -1.432 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.663 -1.911 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.492 -4.557 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.122 -4.265 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.100 -1.604 0.318 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.553 -0.987 0.087 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.292 -2.553 0.891 1.00 0.00 H new ATOM 0 HD11 ILE B 47 1.926 -4.439 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.759 -2.802 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE B 47 1.384 -3.098 0.124 1.00 0.00 H new ATOM 1467 N GLN B 48 -2.625 -4.829 -3.085 1.00 0.00 N ATOM 1468 CA GLN B 48 -3.017 -5.474 -4.325 1.00 0.00 C ATOM 1469 C GLN B 48 -4.410 -5.018 -4.722 1.00 0.00 C ATOM 1470 O GLN B 48 -4.605 -4.392 -5.747 1.00 0.00 O ATOM 1471 CB GLN B 48 -3.029 -6.995 -4.154 1.00 0.00 C ATOM 1472 CG GLN B 48 -1.651 -7.624 -4.045 1.00 0.00 C ATOM 1473 CD GLN B 48 -0.789 -7.360 -5.262 1.00 0.00 C ATOM 1474 OE1 GLN B 48 -1.291 -7.203 -6.375 1.00 0.00 O ATOM 1475 NE2 GLN B 48 0.515 -7.319 -5.056 1.00 0.00 N ATOM 0 H GLN B 48 -2.346 -5.475 -2.346 1.00 0.00 H new ATOM 0 HA GLN B 48 -2.298 -5.201 -5.098 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.600 -7.244 -3.260 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.552 -7.440 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -1.149 -7.237 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -1.757 -8.700 -3.907 1.00 0.00 H new ATOM 0 HE21 GLN B 48 0.887 -7.455 -4.116 1.00 0.00 H new ATOM 0 HE22 GLN B 48 1.150 -7.152 -5.837 1.00 0.00 H new ATOM 1484 N LYS B 49 -5.334 -5.230 -3.815 1.00 0.00 N ATOM 1485 CA LYS B 49 -6.760 -5.185 -4.105 1.00 0.00 C ATOM 1486 C LYS B 49 -7.303 -3.757 -4.219 1.00 0.00 C ATOM 1487 O LYS B 49 -8.477 -3.558 -4.538 1.00 0.00 O ATOM 1488 CB LYS B 49 -7.457 -5.937 -2.975 1.00 0.00 C ATOM 1489 CG LYS B 49 -8.921 -6.261 -3.201 1.00 0.00 C ATOM 1490 CD LYS B 49 -9.530 -6.839 -1.933 1.00 0.00 C ATOM 1491 CE LYS B 49 -8.715 -8.015 -1.413 1.00 0.00 C ATOM 1492 NZ LYS B 49 -9.178 -8.472 -0.081 1.00 0.00 N ATOM 0 H LYS B 49 -5.121 -5.442 -2.840 1.00 0.00 H new ATOM 0 HA LYS B 49 -6.949 -5.643 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.921 -6.870 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -7.372 -5.345 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.460 -5.360 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.022 -6.974 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.584 -6.065 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.552 -7.162 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.780 -8.841 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -7.665 -7.729 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.387 -8.915 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.527 -7.658 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.945 -9.164 -0.199 1.00 0.00 H new ATOM 1506 N HIS B 50 -6.485 -2.749 -3.933 1.00 0.00 N ATOM 1507 CA HIS B 50 -6.952 -1.388 -4.209 1.00 0.00 C ATOM 1508 C HIS B 50 -6.120 -0.655 -5.267 1.00 0.00 C ATOM 1509 O HIS B 50 -6.456 0.469 -5.632 1.00 0.00 O ATOM 1510 CB HIS B 50 -6.976 -0.583 -2.904 1.00 0.00 C ATOM 1511 CG HIS B 50 -7.680 -1.305 -1.793 1.00 0.00 C ATOM 1512 ND1 HIS B 50 -7.088 -1.577 -0.584 1.00 0.00 N ATOM 1513 CD2 HIS B 50 -8.913 -1.865 -1.736 1.00 0.00 C ATOM 1514 CE1 HIS B 50 -7.919 -2.276 0.162 1.00 0.00 C ATOM 1515 NE2 HIS B 50 -9.035 -2.467 -0.509 1.00 0.00 N ATOM 0 H HIS B 50 -5.550 -2.832 -3.534 1.00 0.00 H new ATOM 0 HA HIS B 50 -7.956 -1.476 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -5.953 -0.363 -2.598 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -7.469 0.373 -3.080 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -9.662 -1.842 -2.514 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -7.717 -2.634 1.161 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -9.853 -2.976 -0.174 1.00 0.00 H new ATOM 1524 N LEU B 51 -5.063 -1.275 -5.780 1.00 0.00 N ATOM 1525 CA LEU B 51 -4.311 -0.679 -6.894 1.00 0.00 C ATOM 1526 C LEU B 51 -4.337 -1.582 -8.117 1.00 0.00 C ATOM 1527 O LEU B 51 -4.413 -1.122 -9.255 1.00 0.00 O ATOM 1528 CB LEU B 51 -2.837 -0.437 -6.539 1.00 0.00 C ATOM 1529 CG LEU B 51 -2.527 0.705 -5.560 1.00 0.00 C ATOM 1530 CD1 LEU B 51 -3.174 2.010 -6.003 1.00 0.00 C ATOM 1531 CD2 LEU B 51 -2.958 0.343 -4.156 1.00 0.00 C ATOM 0 H LEU B 51 -4.707 -2.174 -5.454 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.799 0.273 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -2.435 -1.359 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -2.294 -0.245 -7.464 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.447 0.854 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -2.934 2.796 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.797 2.287 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.255 1.882 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.728 1.167 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.031 0.152 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.426 -0.551 -3.831 1.00 0.00 H new ATOM 1543 N ASN B 52 -4.264 -2.872 -7.864 1.00 0.00 N ATOM 1544 CA ASN B 52 -3.986 -3.855 -8.898 1.00 0.00 C ATOM 1545 C ASN B 52 -5.088 -4.908 -8.998 1.00 0.00 C ATOM 1546 O ASN B 52 -5.392 -5.404 -10.085 1.00 0.00 O ATOM 1547 CB ASN B 52 -2.640 -4.509 -8.581 1.00 0.00 C ATOM 1548 CG ASN B 52 -1.495 -3.916 -9.385 1.00 0.00 C ATOM 1549 OD1 ASN B 52 -1.630 -2.660 -9.790 1.00 0.00 O flip ATOM 1550 ND2 ASN B 52 -0.495 -4.587 -9.643 1.00 0.00 N flip ATOM 0 H ASN B 52 -4.395 -3.272 -6.935 1.00 0.00 H new ATOM 0 HA ASN B 52 -3.949 -3.355 -9.866 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -2.428 -4.397 -7.518 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -2.704 -5.578 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -0.428 -5.550 -9.314 1.00 0.00 H new ATOM 0 HD22 ASN B 52 0.266 -4.180 -10.186 1.00 0.00 H new ATOM 1557 N LYS B 53 -5.693 -5.233 -7.870 1.00 0.00 N ATOM 1558 CA LYS B 53 -6.756 -6.215 -7.820 1.00 0.00 C ATOM 1559 C LYS B 53 -8.093 -5.539 -7.527 1.00 0.00 C ATOM 1560 O LYS B 53 -8.676 -5.799 -6.457 1.00 0.00 O ATOM 1561 CB LYS B 53 -6.438 -7.262 -6.747 1.00 0.00 C ATOM 1562 CG LYS B 53 -5.818 -8.535 -7.294 1.00 0.00 C ATOM 1563 CD LYS B 53 -5.995 -9.697 -6.328 1.00 0.00 C ATOM 1564 CE LYS B 53 -5.238 -9.489 -5.027 1.00 0.00 C ATOM 1565 NZ LYS B 53 -5.376 -10.660 -4.124 1.00 0.00 N ATOM 1566 OXT LYS B 53 -8.544 -4.731 -8.367 1.00 0.00 O ATOM 0 H LYS B 53 -5.460 -4.823 -6.965 1.00 0.00 H new ATOM 0 HA LYS B 53 -6.830 -6.709 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.759 -6.824 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.356 -7.515 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -6.276 -8.783 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -4.756 -8.374 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -7.055 -9.828 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -5.651 -10.616 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -4.183 -9.316 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -5.612 -8.596 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -5.171 -10.371 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -6.347 -11.029 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -4.707 -11.402 -4.413 1.00 0.00 H new TER 1580 LYS B 53 HETATM 1581 N FME C 1 -10.143 3.201 13.654 1.00 0.00 N HETATM 1582 CN FME C 1 -9.825 1.915 13.660 1.00 0.00 C HETATM 1583 O1 FME C 1 -10.510 1.070 14.238 1.00 0.00 O HETATM 1584 CA FME C 1 -9.309 4.170 12.958 1.00 0.00 C HETATM 1585 CB FME C 1 -10.166 5.248 12.296 1.00 0.00 C HETATM 1586 CG FME C 1 -9.386 6.134 11.335 1.00 0.00 C HETATM 1587 SD FME C 1 -10.415 7.400 10.569 1.00 0.00 S HETATM 1588 CE FME C 1 -9.304 8.017 9.307 1.00 0.00 C HETATM 1589 C FME C 1 -8.333 4.817 13.929 1.00 0.00 C HETATM 1590 O FME C 1 -8.667 5.780 14.615 1.00 0.00 O HETATM 0 HG3 FME C 1 -8.567 6.613 11.872 1.00 0.00 H new HETATM 0 HG2 FME C 1 -8.939 5.515 10.557 1.00 0.00 H new HETATM 0 HE3 FME C 1 -9.495 9.077 9.141 1.00 0.00 H new HETATM 0 HE2 FME C 1 -8.273 7.880 9.632 1.00 0.00 H new HETATM 0 HE1 FME C 1 -9.468 7.469 8.379 1.00 0.00 H new HETATM 0 HCN FME C 1 -8.926 1.593 13.135 1.00 0.00 H new HETATM 0 HB3 FME C 1 -10.984 4.771 11.756 1.00 0.00 H new HETATM 0 HB2 FME C 1 -10.615 5.871 13.070 1.00 0.00 H new HETATM 0 HA FME C 1 -8.751 3.643 12.184 1.00 0.00 H new HETATM 0 H FME C 1 -10.981 3.516 14.142 1.00 0.00 H new ATOM 1601 N VAL C 2 -7.128 4.277 13.986 1.00 0.00 N ATOM 1602 CA VAL C 2 -6.100 4.804 14.870 1.00 0.00 C ATOM 1603 C VAL C 2 -5.049 5.558 14.055 1.00 0.00 C ATOM 1604 O VAL C 2 -4.081 6.096 14.591 1.00 0.00 O ATOM 1605 CB VAL C 2 -5.440 3.663 15.679 1.00 0.00 C ATOM 1606 CG1 VAL C 2 -4.646 2.740 14.764 1.00 0.00 C ATOM 1607 CG2 VAL C 2 -4.566 4.213 16.800 1.00 0.00 C ATOM 0 H VAL C 2 -6.836 3.473 13.430 1.00 0.00 H new ATOM 0 HA VAL C 2 -6.564 5.495 15.574 1.00 0.00 H new ATOM 0 HB VAL C 2 -6.235 3.077 16.141 1.00 0.00 H new ATOM 0 HG11 VAL C 2 -4.191 1.945 15.355 1.00 0.00 H new ATOM 0 HG12 VAL C 2 -5.313 2.303 14.021 1.00 0.00 H new ATOM 0 HG13 VAL C 2 -3.865 3.310 14.261 1.00 0.00 H new ATOM 0 HG21 VAL C 2 -4.116 3.386 17.350 1.00 0.00 H new ATOM 0 HG22 VAL C 2 -3.779 4.837 16.375 1.00 0.00 H new ATOM 0 HG23 VAL C 2 -5.176 4.810 17.478 1.00 0.00 H new ATOM 1617 N ILE C 3 -5.266 5.618 12.751 1.00 0.00 N ATOM 1618 CA ILE C 3 -4.318 6.247 11.854 1.00 0.00 C ATOM 1619 C ILE C 3 -5.003 7.306 10.997 1.00 0.00 C ATOM 1620 O ILE C 3 -6.125 7.110 10.526 1.00 0.00 O ATOM 1621 CB ILE C 3 -3.623 5.203 10.943 1.00 0.00 C ATOM 1622 CG1 ILE C 3 -2.520 5.861 10.109 1.00 0.00 C ATOM 1623 CG2 ILE C 3 -4.637 4.510 10.036 1.00 0.00 C ATOM 1624 CD1 ILE C 3 -1.753 4.888 9.240 1.00 0.00 C ATOM 0 H ILE C 3 -6.093 5.237 12.292 1.00 0.00 H new ATOM 0 HA ILE C 3 -3.557 6.727 12.470 1.00 0.00 H new ATOM 0 HB ILE C 3 -3.167 4.448 11.584 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -2.965 6.628 9.475 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -1.822 6.365 10.778 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -4.125 3.782 9.407 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -5.383 4.001 10.646 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -5.129 5.252 9.406 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -0.989 5.426 8.679 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -1.279 4.135 9.869 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -2.438 4.402 8.546 1.00 0.00 H new ATOM 1636 N ALA C 4 -4.345 8.439 10.843 1.00 0.00 N ATOM 1637 CA ALA C 4 -4.787 9.470 9.923 1.00 0.00 C ATOM 1638 C ALA C 4 -3.669 9.778 8.940 1.00 0.00 C ATOM 1639 O ALA C 4 -2.488 9.723 9.290 1.00 0.00 O ATOM 1640 CB ALA C 4 -5.202 10.720 10.682 1.00 0.00 C ATOM 0 H ALA C 4 -3.491 8.671 11.351 1.00 0.00 H new ATOM 0 HA ALA C 4 -5.657 9.114 9.371 1.00 0.00 H new ATOM 0 HB1 ALA C 4 -5.530 11.482 9.976 1.00 0.00 H new ATOM 0 HB2 ALA C 4 -6.019 10.479 11.361 1.00 0.00 H new ATOM 0 HB3 ALA C 4 -4.354 11.097 11.254 1.00 0.00 H new ATOM 1646 N THR C 5 -4.052 10.095 7.708 1.00 0.00 N ATOM 1647 CA THR C 5 -3.101 10.299 6.622 1.00 0.00 C ATOM 1648 C THR C 5 -2.173 11.478 6.909 1.00 0.00 C ATOM 1649 O THR C 5 -1.110 11.606 6.309 1.00 0.00 O ATOM 1650 CB THR C 5 -3.845 10.552 5.298 1.00 0.00 C ATOM 1651 OG1 THR C 5 -5.051 9.777 5.262 1.00 0.00 O ATOM 1652 CG2 THR C 5 -2.976 10.184 4.105 1.00 0.00 C ATOM 0 H THR C 5 -5.027 10.217 7.435 1.00 0.00 H new ATOM 0 HA THR C 5 -2.500 9.393 6.539 1.00 0.00 H new ATOM 0 HB THR C 5 -4.084 11.614 5.241 1.00 0.00 H new ATOM 0 HG1 THR C 5 -5.521 9.943 4.418 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.526 10.372 3.183 1.00 0.00 H new ATOM 0 HG22 THR C 5 -2.068 10.787 4.116 1.00 0.00 H new ATOM 0 HG23 THR C 5 -2.711 9.128 4.160 1.00 0.00 H new ATOM 1660 N ASP C 6 -2.565 12.308 7.866 1.00 0.00 N ATOM 1661 CA ASP C 6 -1.831 13.524 8.182 1.00 0.00 C ATOM 1662 C ASP C 6 -0.655 13.247 9.113 1.00 0.00 C ATOM 1663 O ASP C 6 0.082 14.162 9.478 1.00 0.00 O ATOM 1664 CB ASP C 6 -2.768 14.557 8.811 1.00 0.00 C ATOM 1665 CG ASP C 6 -3.844 15.022 7.849 1.00 0.00 C ATOM 1666 OD1 ASP C 6 -4.905 14.363 7.767 1.00 0.00 O ATOM 1667 OD2 ASP C 6 -3.635 16.048 7.167 1.00 0.00 O ATOM 0 H ASP C 6 -3.394 12.159 8.441 1.00 0.00 H new ATOM 0 HA ASP C 6 -1.430 13.921 7.249 1.00 0.00 H new ATOM 0 HB2 ASP C 6 -3.237 14.127 9.696 1.00 0.00 H new ATOM 0 HB3 ASP C 6 -2.186 15.416 9.144 1.00 0.00 H new ATOM 1672 N ASP C 7 -0.476 11.990 9.505 1.00 0.00 N ATOM 1673 CA ASP C 7 0.684 11.609 10.311 1.00 0.00 C ATOM 1674 C ASP C 7 1.723 10.883 9.470 1.00 0.00 C ATOM 1675 O ASP C 7 2.882 10.760 9.867 1.00 0.00 O ATOM 1676 CB ASP C 7 0.268 10.714 11.482 1.00 0.00 C ATOM 1677 CG ASP C 7 -0.274 11.497 12.658 1.00 0.00 C ATOM 1678 OD1 ASP C 7 0.525 11.877 13.542 1.00 0.00 O ATOM 1679 OD2 ASP C 7 -1.502 11.723 12.716 1.00 0.00 O ATOM 0 H ASP C 7 -1.110 11.223 9.282 1.00 0.00 H new ATOM 0 HA ASP C 7 1.122 12.528 10.700 1.00 0.00 H new ATOM 0 HB2 ASP C 7 -0.490 10.008 11.142 1.00 0.00 H new ATOM 0 HB3 ASP C 7 1.127 10.127 11.807 1.00 0.00 H new ATOM 1684 N LEU C 8 1.309 10.407 8.305 1.00 0.00 N ATOM 1685 CA LEU C 8 2.219 9.707 7.409 1.00 0.00 C ATOM 1686 C LEU C 8 2.490 10.541 6.169 1.00 0.00 C ATOM 1687 O LEU C 8 3.421 10.268 5.409 1.00 0.00 O ATOM 1688 CB LEU C 8 1.669 8.333 7.020 1.00 0.00 C ATOM 1689 CG LEU C 8 1.766 7.259 8.108 1.00 0.00 C ATOM 1690 CD1 LEU C 8 0.761 7.507 9.223 1.00 0.00 C ATOM 1691 CD2 LEU C 8 1.567 5.878 7.510 1.00 0.00 C ATOM 0 H LEU C 8 0.353 10.492 7.959 1.00 0.00 H new ATOM 0 HA LEU C 8 3.158 9.553 7.940 1.00 0.00 H new ATOM 0 HB2 LEU C 8 0.623 8.446 6.735 1.00 0.00 H new ATOM 0 HB3 LEU C 8 2.203 7.982 6.137 1.00 0.00 H new ATOM 0 HG LEU C 8 2.765 7.312 8.542 1.00 0.00 H new ATOM 0 HD11 LEU C 8 0.856 6.727 9.979 1.00 0.00 H new ATOM 0 HD12 LEU C 8 0.954 8.479 9.678 1.00 0.00 H new ATOM 0 HD13 LEU C 8 -0.249 7.493 8.812 1.00 0.00 H new ATOM 0 HD21 LEU C 8 1.639 5.127 8.297 1.00 0.00 H new ATOM 0 HD22 LEU C 8 0.583 5.822 7.044 1.00 0.00 H new ATOM 0 HD23 LEU C 8 2.335 5.692 6.760 1.00 0.00 H new ATOM 1703 N GLU C 9 1.671 11.563 5.986 1.00 0.00 N ATOM 1704 CA GLU C 9 1.866 12.529 4.926 1.00 0.00 C ATOM 1705 C GLU C 9 1.732 13.929 5.496 1.00 0.00 C ATOM 1706 O GLU C 9 0.792 14.228 6.236 1.00 0.00 O ATOM 1707 CB GLU C 9 0.873 12.333 3.777 1.00 0.00 C ATOM 1708 CG GLU C 9 1.088 11.055 2.982 1.00 0.00 C ATOM 1709 CD GLU C 9 0.340 11.066 1.664 1.00 0.00 C ATOM 1710 OE1 GLU C 9 -0.895 11.252 1.679 1.00 0.00 O ATOM 1711 OE2 GLU C 9 0.992 10.914 0.607 1.00 0.00 O ATOM 0 H GLU C 9 0.854 11.744 6.569 1.00 0.00 H new ATOM 0 HA GLU C 9 2.865 12.383 4.516 1.00 0.00 H new ATOM 0 HB2 GLU C 9 -0.139 12.330 4.182 1.00 0.00 H new ATOM 0 HB3 GLU C 9 0.943 13.185 3.101 1.00 0.00 H new ATOM 0 HG2 GLU C 9 2.153 10.923 2.792 1.00 0.00 H new ATOM 0 HG3 GLU C 9 0.762 10.201 3.576 1.00 0.00 H new ATOM 1718 N VAL C 10 2.671 14.776 5.146 1.00 0.00 N ATOM 1719 CA VAL C 10 2.713 16.134 5.642 1.00 0.00 C ATOM 1720 C VAL C 10 2.783 17.083 4.456 1.00 0.00 C ATOM 1721 O VAL C 10 3.435 16.786 3.455 1.00 0.00 O ATOM 1722 CB VAL C 10 3.924 16.344 6.587 1.00 0.00 C ATOM 1723 CG1 VAL C 10 5.234 16.005 5.890 1.00 0.00 C ATOM 1724 CG2 VAL C 10 3.961 17.767 7.126 1.00 0.00 C ATOM 0 H VAL C 10 3.431 14.543 4.507 1.00 0.00 H new ATOM 0 HA VAL C 10 1.812 16.336 6.221 1.00 0.00 H new ATOM 0 HB VAL C 10 3.801 15.663 7.429 1.00 0.00 H new ATOM 0 HG11 VAL C 10 6.064 16.162 6.579 1.00 0.00 H new ATOM 0 HG12 VAL C 10 5.218 14.962 5.573 1.00 0.00 H new ATOM 0 HG13 VAL C 10 5.359 16.647 5.018 1.00 0.00 H new ATOM 0 HG21 VAL C 10 4.821 17.884 7.786 1.00 0.00 H new ATOM 0 HG22 VAL C 10 4.042 18.469 6.296 1.00 0.00 H new ATOM 0 HG23 VAL C 10 3.046 17.969 7.683 1.00 0.00 H new ATOM 1734 N ALA C 11 2.086 18.202 4.548 1.00 0.00 N ATOM 1735 CA ALA C 11 2.056 19.165 3.464 1.00 0.00 C ATOM 1736 C ALA C 11 3.442 19.754 3.231 1.00 0.00 C ATOM 1737 O ALA C 11 4.147 20.108 4.180 1.00 0.00 O ATOM 1738 CB ALA C 11 1.043 20.247 3.797 1.00 0.00 C ATOM 0 H ALA C 11 1.533 18.465 5.364 1.00 0.00 H new ATOM 0 HA ALA C 11 1.757 18.671 2.540 1.00 0.00 H new ATOM 0 HB1 ALA C 11 1.012 20.977 2.988 1.00 0.00 H new ATOM 0 HB2 ALA C 11 0.057 19.798 3.919 1.00 0.00 H new ATOM 0 HB3 ALA C 11 1.332 20.743 4.723 1.00 0.00 H new ATOM 1744 N CYS C 12 3.824 19.833 1.950 1.00 0.00 N ATOM 1745 CA CYS C 12 5.167 20.206 1.510 1.00 0.00 C ATOM 1746 C CYS C 12 5.613 21.590 2.008 1.00 0.00 C ATOM 1747 O CYS C 12 4.816 22.336 2.573 1.00 0.00 O ATOM 1748 CB CYS C 12 5.170 20.211 -0.018 1.00 0.00 C ATOM 1749 SG CYS C 12 6.395 19.117 -0.758 1.00 0.00 S ATOM 0 H CYS C 12 3.190 19.634 1.176 1.00 0.00 H new ATOM 0 HA CYS C 12 5.866 19.482 1.928 1.00 0.00 H new ATOM 0 HB2 CYS C 12 4.181 19.923 -0.373 1.00 0.00 H new ATOM 0 HB3 CYS C 12 5.350 21.228 -0.366 1.00 0.00 H new ATOM 1754 N PRO C 13 6.897 21.953 1.797 1.00 0.00 N ATOM 1755 CA PRO C 13 7.402 23.314 2.050 1.00 0.00 C ATOM 1756 C PRO C 13 6.503 24.419 1.477 1.00 0.00 C ATOM 1757 O PRO C 13 6.234 25.421 2.151 1.00 0.00 O ATOM 1758 CB PRO C 13 8.748 23.298 1.319 1.00 0.00 C ATOM 1759 CG PRO C 13 9.229 21.899 1.463 1.00 0.00 C ATOM 1760 CD PRO C 13 7.990 21.043 1.371 1.00 0.00 C ATOM 0 HA PRO C 13 7.454 23.538 3.116 1.00 0.00 H new ATOM 0 HB2 PRO C 13 8.634 23.573 0.271 1.00 0.00 H new ATOM 0 HB3 PRO C 13 9.449 24.007 1.760 1.00 0.00 H new ATOM 0 HG2 PRO C 13 9.942 21.645 0.679 1.00 0.00 H new ATOM 0 HG3 PRO C 13 9.738 21.754 2.416 1.00 0.00 H new ATOM 0 HD2 PRO C 13 7.832 20.676 0.357 1.00 0.00 H new ATOM 0 HD3 PRO C 13 8.058 20.169 2.019 1.00 0.00 H new ATOM 1768 N LYS C 14 6.006 24.219 0.249 1.00 0.00 N ATOM 1769 CA LYS C 14 5.273 25.302 -0.414 1.00 0.00 C ATOM 1770 C LYS C 14 4.391 24.875 -1.602 1.00 0.00 C ATOM 1771 O LYS C 14 3.726 25.719 -2.192 1.00 0.00 O ATOM 1772 CB LYS C 14 6.232 26.438 -0.818 1.00 0.00 C ATOM 1773 CG LYS C 14 7.139 26.145 -2.005 1.00 0.00 C ATOM 1774 CD LYS C 14 6.578 26.756 -3.289 1.00 0.00 C ATOM 1775 CE LYS C 14 7.645 26.916 -4.361 1.00 0.00 C ATOM 1776 NZ LYS C 14 8.755 27.796 -3.914 1.00 0.00 N ATOM 0 H LYS C 14 6.093 23.355 -0.286 1.00 0.00 H new ATOM 0 HA LYS C 14 4.566 25.660 0.334 1.00 0.00 H new ATOM 0 HB2 LYS C 14 5.640 27.324 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS C 14 6.856 26.684 0.041 1.00 0.00 H new ATOM 0 HG2 LYS C 14 8.135 26.544 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS C 14 7.246 25.067 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS C 14 5.775 26.125 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS C 14 6.140 27.729 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS C 14 8.043 25.936 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS C 14 7.194 27.331 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 8.948 28.510 -4.645 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 8.486 28.271 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 9.609 27.224 -3.754 1.00 0.00 H new ATOM 1790 N CYS C 15 4.343 23.592 -1.980 1.00 0.00 N ATOM 1791 CA CYS C 15 3.420 23.217 -3.065 1.00 0.00 C ATOM 1792 C CYS C 15 2.334 22.259 -2.623 1.00 0.00 C ATOM 1793 O CYS C 15 1.977 21.336 -3.361 1.00 0.00 O ATOM 1794 CB CYS C 15 4.184 22.519 -4.174 1.00 0.00 C ATOM 1795 SG CYS C 15 5.264 21.180 -3.589 1.00 0.00 S ATOM 0 H CYS C 15 4.896 22.833 -1.581 1.00 0.00 H new ATOM 0 HA CYS C 15 2.961 24.149 -3.396 1.00 0.00 H new ATOM 0 HB2 CYS C 15 3.472 22.112 -4.892 1.00 0.00 H new ATOM 0 HB3 CYS C 15 4.788 23.255 -4.705 1.00 0.00 H new ATOM 1800 N GLU C 16 1.757 22.516 -1.476 1.00 0.00 N ATOM 1801 CA GLU C 16 0.738 21.642 -0.948 1.00 0.00 C ATOM 1802 C GLU C 16 -0.649 22.074 -1.383 1.00 0.00 C ATOM 1803 O GLU C 16 -1.602 21.946 -0.618 1.00 0.00 O ATOM 1804 CB GLU C 16 0.797 21.615 0.578 1.00 0.00 C ATOM 1805 CG GLU C 16 2.087 22.163 1.152 1.00 0.00 C ATOM 1806 CD GLU C 16 2.032 23.648 1.432 1.00 0.00 C ATOM 1807 OE1 GLU C 16 1.307 24.065 2.354 1.00 0.00 O ATOM 1808 OE2 GLU C 16 2.727 24.403 0.736 1.00 0.00 O ATOM 0 H GLU C 16 1.975 23.322 -0.890 1.00 0.00 H new ATOM 0 HA GLU C 16 0.932 20.645 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU C 16 -0.039 22.191 0.974 1.00 0.00 H new ATOM 0 HB3 GLU C 16 0.667 20.588 0.919 1.00 0.00 H new ATOM 0 HG2 GLU C 16 2.319 21.634 2.076 1.00 0.00 H new ATOM 0 HG3 GLU C 16 2.901 21.961 0.456 1.00 0.00 H new ATOM 1815 N ARG C 17 -0.791 22.578 -2.607 1.00 0.00 N ATOM 1816 CA ARG C 17 -2.104 22.871 -3.135 1.00 0.00 C ATOM 1817 C ARG C 17 -2.064 22.625 -4.640 1.00 0.00 C ATOM 1818 O ARG C 17 -3.101 22.461 -5.277 1.00 0.00 O ATOM 1819 CB ARG C 17 -2.586 24.300 -2.841 1.00 0.00 C ATOM 1820 CG ARG C 17 -1.852 25.414 -3.582 1.00 0.00 C ATOM 1821 CD ARG C 17 -0.612 25.864 -2.835 1.00 0.00 C ATOM 1822 NE ARG C 17 -0.896 26.055 -1.414 1.00 0.00 N ATOM 1823 CZ ARG C 17 0.028 25.994 -0.463 1.00 0.00 C ATOM 1824 NH1 ARG C 17 1.308 25.967 -0.793 1.00 0.00 N ATOM 1825 NH2 ARG C 17 -0.323 26.014 0.817 1.00 0.00 N ATOM 0 H ARG C 17 -0.018 22.787 -3.239 1.00 0.00 H new ATOM 0 HA ARG C 17 -2.821 22.217 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -3.646 24.363 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -2.495 24.481 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -1.571 25.066 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -2.522 26.263 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG C 17 0.178 25.123 -2.955 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -0.243 26.796 -3.264 1.00 0.00 H new ATOM 0 HE ARG C 17 -1.859 26.246 -1.137 1.00 0.00 H new ATOM 0 HH11 ARG C 17 1.582 25.993 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG C 17 2.021 25.920 -0.065 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -1.308 26.077 1.075 1.00 0.00 H new ATOM 0 HH22 ARG C 17 0.392 25.967 1.543 1.00 0.00 H new ATOM 1839 N ALA C 18 -0.842 22.588 -5.210 1.00 0.00 N ATOM 1840 CA ALA C 18 -0.701 22.535 -6.663 1.00 0.00 C ATOM 1841 C ALA C 18 0.195 21.389 -7.130 1.00 0.00 C ATOM 1842 O ALA C 18 0.048 20.900 -8.247 1.00 0.00 O ATOM 1843 CB ALA C 18 -0.194 23.867 -7.205 1.00 0.00 C ATOM 0 H ALA C 18 0.037 22.594 -4.693 1.00 0.00 H new ATOM 0 HA ALA C 18 -1.695 22.342 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA C 18 -0.096 23.805 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA C 18 -0.900 24.657 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA C 18 0.778 24.093 -6.765 1.00 0.00 H new ATOM 1849 N GLY C 19 1.105 20.945 -6.268 1.00 0.00 N ATOM 1850 CA GLY C 19 1.950 19.822 -6.621 1.00 0.00 C ATOM 1851 C GLY C 19 3.106 20.181 -7.539 1.00 0.00 C ATOM 1852 O GLY C 19 3.555 19.347 -8.321 1.00 0.00 O ATOM 0 H GLY C 19 1.270 21.339 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY C 19 2.349 19.380 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY C 19 1.339 19.059 -7.104 1.00 0.00 H new ATOM 1856 N GLU C 20 3.630 21.391 -7.410 1.00 0.00 N ATOM 1857 CA GLU C 20 4.721 21.835 -8.272 1.00 0.00 C ATOM 1858 C GLU C 20 5.587 22.874 -7.580 1.00 0.00 C ATOM 1859 O GLU C 20 5.171 23.511 -6.622 1.00 0.00 O ATOM 1860 CB GLU C 20 4.186 22.407 -9.588 1.00 0.00 C ATOM 1861 CG GLU C 20 3.112 23.463 -9.408 1.00 0.00 C ATOM 1862 CD GLU C 20 2.809 24.209 -10.689 1.00 0.00 C ATOM 1863 OE1 GLU C 20 2.108 23.650 -11.562 1.00 0.00 O ATOM 1864 OE2 GLU C 20 3.254 25.367 -10.823 1.00 0.00 O ATOM 0 H GLU C 20 3.322 22.080 -6.723 1.00 0.00 H new ATOM 0 HA GLU C 20 5.333 20.960 -8.489 1.00 0.00 H new ATOM 0 HB2 GLU C 20 5.015 22.838 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU C 20 3.783 21.592 -10.190 1.00 0.00 H new ATOM 0 HG2 GLU C 20 2.200 22.990 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU C 20 3.430 24.173 -8.645 1.00 0.00 H new ATOM 1871 N ILE C 21 6.790 23.036 -8.075 1.00 0.00 N ATOM 1872 CA ILE C 21 7.693 24.053 -7.588 1.00 0.00 C ATOM 1873 C ILE C 21 8.075 24.914 -8.770 1.00 0.00 C ATOM 1874 O ILE C 21 8.902 24.514 -9.583 1.00 0.00 O ATOM 1875 CB ILE C 21 8.974 23.463 -6.944 1.00 0.00 C ATOM 1876 CG1 ILE C 21 8.633 22.574 -5.739 1.00 0.00 C ATOM 1877 CG2 ILE C 21 9.930 24.575 -6.528 1.00 0.00 C ATOM 1878 CD1 ILE C 21 8.052 23.311 -4.550 1.00 0.00 C ATOM 0 H ILE C 21 7.172 22.465 -8.829 1.00 0.00 H new ATOM 0 HA ILE C 21 7.190 24.624 -6.808 1.00 0.00 H new ATOM 0 HB ILE C 21 9.466 22.843 -7.694 1.00 0.00 H new ATOM 0 HG12 ILE C 21 7.923 21.811 -6.058 1.00 0.00 H new ATOM 0 HG13 ILE C 21 9.537 22.055 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE C 21 10.822 24.139 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE C 21 10.213 25.158 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE C 21 9.439 25.225 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE C 21 7.843 22.602 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE C 21 8.767 24.055 -4.199 1.00 0.00 H new ATOM 0 HD13 ILE C 21 7.127 23.807 -4.846 1.00 0.00 H new ATOM 1890 N GLU C 22 7.429 26.064 -8.886 1.00 0.00 N ATOM 1891 CA GLU C 22 7.686 26.983 -9.988 1.00 0.00 C ATOM 1892 C GLU C 22 7.331 26.355 -11.331 1.00 0.00 C ATOM 1893 O GLU C 22 8.150 26.341 -12.250 1.00 0.00 O ATOM 1894 CB GLU C 22 9.160 27.351 -9.983 1.00 0.00 C ATOM 1895 CG GLU C 22 9.470 28.654 -10.689 1.00 0.00 C ATOM 1896 CD GLU C 22 10.645 29.381 -10.080 1.00 0.00 C ATOM 1897 OE1 GLU C 22 11.793 29.114 -10.485 1.00 0.00 O ATOM 1898 OE2 GLU C 22 10.425 30.223 -9.184 1.00 0.00 O ATOM 0 H GLU C 22 6.719 26.386 -8.228 1.00 0.00 H new ATOM 0 HA GLU C 22 7.065 27.869 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU C 22 9.504 27.418 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU C 22 9.726 26.549 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU C 22 9.677 28.453 -11.740 1.00 0.00 H new ATOM 0 HG3 GLU C 22 8.592 29.299 -10.655 1.00 0.00 H new ATOM 1905 N GLY C 23 6.122 25.818 -11.449 1.00 0.00 N ATOM 1906 CA GLY C 23 5.742 25.133 -12.671 1.00 0.00 C ATOM 1907 C GLY C 23 6.633 23.954 -12.973 1.00 0.00 C ATOM 1908 O GLY C 23 6.571 23.370 -14.055 1.00 0.00 O ATOM 0 H GLY C 23 5.403 25.844 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY C 23 4.710 24.792 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY C 23 5.779 25.835 -13.504 1.00 0.00 H new ATOM 1912 N THR C 24 7.469 23.618 -12.020 1.00 0.00 N ATOM 1913 CA THR C 24 8.481 22.614 -12.203 1.00 0.00 C ATOM 1914 C THR C 24 8.300 21.475 -11.182 1.00 0.00 C ATOM 1915 O THR C 24 7.842 21.709 -10.065 1.00 0.00 O ATOM 1916 CB THR C 24 9.832 23.343 -12.071 1.00 0.00 C ATOM 1917 OG1 THR C 24 10.292 23.742 -13.365 1.00 0.00 O ATOM 1918 CG2 THR C 24 10.903 22.534 -11.359 1.00 0.00 C ATOM 0 H THR C 24 7.463 24.038 -11.091 1.00 0.00 H new ATOM 0 HA THR C 24 8.420 22.132 -13.179 1.00 0.00 H new ATOM 0 HB THR C 24 9.652 24.216 -11.444 1.00 0.00 H new ATOM 0 HG1 THR C 24 11.150 24.207 -13.278 1.00 0.00 H new ATOM 0 HG21 THR C 24 11.823 23.116 -11.306 1.00 0.00 H new ATOM 0 HG22 THR C 24 10.567 22.294 -10.350 1.00 0.00 H new ATOM 0 HG23 THR C 24 11.088 21.611 -11.909 1.00 0.00 H new ATOM 1926 N PRO C 25 8.615 20.220 -11.571 1.00 0.00 N ATOM 1927 CA PRO C 25 8.408 19.031 -10.719 1.00 0.00 C ATOM 1928 C PRO C 25 9.072 19.153 -9.345 1.00 0.00 C ATOM 1929 O PRO C 25 10.265 19.430 -9.235 1.00 0.00 O ATOM 1930 CB PRO C 25 9.043 17.890 -11.527 1.00 0.00 C ATOM 1931 CG PRO C 25 9.926 18.569 -12.518 1.00 0.00 C ATOM 1932 CD PRO C 25 9.221 19.850 -12.861 1.00 0.00 C ATOM 0 HA PRO C 25 7.351 18.880 -10.499 1.00 0.00 H new ATOM 0 HB2 PRO C 25 9.613 17.220 -10.884 1.00 0.00 H new ATOM 0 HB3 PRO C 25 8.283 17.286 -12.023 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.913 18.763 -12.098 1.00 0.00 H new ATOM 0 HG3 PRO C 25 10.072 17.951 -13.404 1.00 0.00 H new ATOM 0 HD2 PRO C 25 9.912 20.612 -13.221 1.00 0.00 H new ATOM 0 HD3 PRO C 25 8.471 19.707 -13.639 1.00 0.00 H new ATOM 1940 N CYS C 26 8.277 18.942 -8.299 1.00 0.00 N ATOM 1941 CA CYS C 26 8.738 19.114 -6.929 1.00 0.00 C ATOM 1942 C CYS C 26 9.580 17.929 -6.440 1.00 0.00 C ATOM 1943 O CYS C 26 9.208 16.774 -6.632 1.00 0.00 O ATOM 1944 CB CYS C 26 7.527 19.328 -6.022 1.00 0.00 C ATOM 1945 SG CYS C 26 7.921 19.625 -4.261 1.00 0.00 S ATOM 0 H CYS C 26 7.303 18.649 -8.378 1.00 0.00 H new ATOM 0 HA CYS C 26 9.390 19.987 -6.896 1.00 0.00 H new ATOM 0 HB2 CYS C 26 6.956 20.176 -6.399 1.00 0.00 H new ATOM 0 HB3 CYS C 26 6.881 18.453 -6.091 1.00 0.00 H new ATOM 1950 N PRO C 27 10.711 18.248 -5.774 1.00 0.00 N ATOM 1951 CA PRO C 27 11.696 17.293 -5.234 1.00 0.00 C ATOM 1952 C PRO C 27 11.138 15.944 -4.766 1.00 0.00 C ATOM 1953 O PRO C 27 11.543 14.891 -5.254 1.00 0.00 O ATOM 1954 CB PRO C 27 12.228 18.059 -4.028 1.00 0.00 C ATOM 1955 CG PRO C 27 12.209 19.495 -4.436 1.00 0.00 C ATOM 1956 CD PRO C 27 11.153 19.633 -5.515 1.00 0.00 C ATOM 0 HA PRO C 27 12.415 17.009 -6.002 1.00 0.00 H new ATOM 0 HB2 PRO C 27 11.605 17.891 -3.149 1.00 0.00 H new ATOM 0 HB3 PRO C 27 13.237 17.736 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO C 27 11.977 20.135 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO C 27 13.185 19.803 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO C 27 10.325 20.259 -5.183 1.00 0.00 H new ATOM 0 HD3 PRO C 27 11.561 20.095 -6.414 1.00 0.00 H new ATOM 1964 N ALA C 28 10.194 15.986 -3.835 1.00 0.00 N ATOM 1965 CA ALA C 28 9.777 14.775 -3.127 1.00 0.00 C ATOM 1966 C ALA C 28 8.291 14.486 -3.306 1.00 0.00 C ATOM 1967 O ALA C 28 7.798 13.443 -2.887 1.00 0.00 O ATOM 1968 CB ALA C 28 10.124 14.882 -1.649 1.00 0.00 C ATOM 0 H ALA C 28 9.704 16.835 -3.552 1.00 0.00 H new ATOM 0 HA ALA C 28 10.323 13.939 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA C 28 9.808 13.974 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA C 28 11.201 15.007 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA C 28 9.612 15.741 -1.216 1.00 0.00 H new ATOM 1974 N CYS C 29 7.574 15.416 -3.912 1.00 0.00 N ATOM 1975 CA CYS C 29 6.161 15.214 -4.184 1.00 0.00 C ATOM 1976 C CYS C 29 5.871 15.544 -5.647 1.00 0.00 C ATOM 1977 O CYS C 29 5.707 16.711 -6.006 1.00 0.00 O ATOM 1978 CB CYS C 29 5.305 16.069 -3.221 1.00 0.00 C ATOM 1979 SG CYS C 29 5.253 17.857 -3.580 1.00 0.00 S ATOM 0 H CYS C 29 7.944 16.314 -4.224 1.00 0.00 H new ATOM 0 HA CYS C 29 5.898 14.170 -4.014 1.00 0.00 H new ATOM 0 HB2 CYS C 29 4.285 15.685 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS C 29 5.685 15.932 -2.208 1.00 0.00 H new ATOM 1984 N SER C 30 5.841 14.522 -6.502 1.00 0.00 N ATOM 1985 CA SER C 30 5.640 14.707 -7.938 1.00 0.00 C ATOM 1986 C SER C 30 4.189 15.046 -8.295 1.00 0.00 C ATOM 1987 O SER C 30 3.591 14.428 -9.178 1.00 0.00 O ATOM 1988 CB SER C 30 6.082 13.434 -8.664 1.00 0.00 C ATOM 1989 OG SER C 30 5.573 12.281 -8.010 1.00 0.00 O ATOM 0 H SER C 30 5.955 13.548 -6.221 1.00 0.00 H new ATOM 0 HA SER C 30 6.242 15.559 -8.256 1.00 0.00 H new ATOM 0 HB2 SER C 30 5.731 13.457 -9.696 1.00 0.00 H new ATOM 0 HB3 SER C 30 7.170 13.388 -8.698 1.00 0.00 H new ATOM 0 HG SER C 30 5.865 11.478 -8.489 1.00 0.00 H new ATOM 1995 N GLY C 31 3.631 16.031 -7.610 1.00 0.00 N ATOM 1996 CA GLY C 31 2.307 16.506 -7.941 1.00 0.00 C ATOM 1997 C GLY C 31 1.226 15.921 -7.061 1.00 0.00 C ATOM 1998 O GLY C 31 0.208 15.446 -7.560 1.00 0.00 O ATOM 0 H GLY C 31 4.075 16.511 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY C 31 2.286 17.593 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY C 31 2.091 16.263 -8.981 1.00 0.00 H new ATOM 2002 N LYS C 32 1.434 15.948 -5.747 1.00 0.00 N ATOM 2003 CA LYS C 32 0.421 15.487 -4.806 1.00 0.00 C ATOM 2004 C LYS C 32 -0.022 16.656 -3.931 1.00 0.00 C ATOM 2005 O LYS C 32 -1.204 16.867 -3.695 1.00 0.00 O ATOM 2006 CB LYS C 32 0.988 14.408 -3.879 1.00 0.00 C ATOM 2007 CG LYS C 32 1.919 13.416 -4.543 1.00 0.00 C ATOM 2008 CD LYS C 32 2.490 12.467 -3.507 1.00 0.00 C ATOM 2009 CE LYS C 32 3.620 11.628 -4.067 1.00 0.00 C ATOM 2010 NZ LYS C 32 3.182 10.785 -5.215 1.00 0.00 N ATOM 0 H LYS C 32 2.293 16.284 -5.312 1.00 0.00 H new ATOM 0 HA LYS C 32 -0.412 15.081 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS C 32 1.523 14.896 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS C 32 0.157 13.861 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS C 32 1.380 12.854 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS C 32 2.727 13.945 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS C 32 2.852 13.039 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS C 32 1.699 11.812 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS C 32 4.431 12.282 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS C 32 4.019 10.988 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS C 32 3.920 10.086 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS C 32 2.301 10.291 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS C 32 3.019 11.388 -6.046 1.00 0.00 H new ATOM 2024 N GLY C 33 0.969 17.411 -3.452 1.00 0.00 N ATOM 2025 CA GLY C 33 0.737 18.453 -2.492 1.00 0.00 C ATOM 2026 C GLY C 33 1.469 18.149 -1.202 1.00 0.00 C ATOM 2027 O GLY C 33 2.095 19.026 -0.608 1.00 0.00 O ATOM 0 H GLY C 33 1.945 17.306 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY C 33 1.074 19.409 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.332 18.548 -2.299 1.00 0.00 H new ATOM 2031 N VAL C 34 1.472 16.879 -0.821 1.00 0.00 N ATOM 2032 CA VAL C 34 2.073 16.456 0.434 1.00 0.00 C ATOM 2033 C VAL C 34 3.261 15.525 0.196 1.00 0.00 C ATOM 2034 O VAL C 34 3.458 15.019 -0.914 1.00 0.00 O ATOM 2035 CB VAL C 34 1.040 15.728 1.325 1.00 0.00 C ATOM 2036 CG1 VAL C 34 -0.106 16.656 1.701 1.00 0.00 C ATOM 2037 CG2 VAL C 34 0.506 14.488 0.622 1.00 0.00 C ATOM 0 H VAL C 34 1.062 16.121 -1.367 1.00 0.00 H new ATOM 0 HA VAL C 34 2.420 17.357 0.939 1.00 0.00 H new ATOM 0 HB VAL C 34 1.545 15.420 2.241 1.00 0.00 H new ATOM 0 HG11 VAL C 34 -0.818 16.119 2.328 1.00 0.00 H new ATOM 0 HG12 VAL C 34 0.285 17.513 2.249 1.00 0.00 H new ATOM 0 HG13 VAL C 34 -0.607 17.001 0.796 1.00 0.00 H new ATOM 0 HG21 VAL C 34 -0.219 13.989 1.265 1.00 0.00 H new ATOM 0 HG22 VAL C 34 0.024 14.778 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL C 34 1.330 13.807 0.409 1.00 0.00 H new ATOM 2047 N ILE C 35 4.058 15.342 1.238 1.00 0.00 N ATOM 2048 CA ILE C 35 5.161 14.390 1.229 1.00 0.00 C ATOM 2049 C ILE C 35 5.027 13.434 2.409 1.00 0.00 C ATOM 2050 O ILE C 35 4.254 13.680 3.328 1.00 0.00 O ATOM 2051 CB ILE C 35 6.533 15.095 1.311 1.00 0.00 C ATOM 2052 CG1 ILE C 35 6.528 16.143 2.428 1.00 0.00 C ATOM 2053 CG2 ILE C 35 6.892 15.725 -0.024 1.00 0.00 C ATOM 2054 CD1 ILE C 35 7.851 16.857 2.607 1.00 0.00 C ATOM 0 H ILE C 35 3.959 15.850 2.117 1.00 0.00 H new ATOM 0 HA ILE C 35 5.112 13.844 0.287 1.00 0.00 H new ATOM 0 HB ILE C 35 7.293 14.350 1.546 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.754 16.881 2.217 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.258 15.658 3.366 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.862 16.217 0.055 1.00 0.00 H new ATOM 0 HG22 ILE C 35 6.938 14.952 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE C 35 6.134 16.460 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE C 35 7.766 17.583 3.416 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.626 16.131 2.851 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.114 17.372 1.683 1.00 0.00 H new ATOM 2066 N LEU C 36 5.784 12.353 2.376 1.00 0.00 N ATOM 2067 CA LEU C 36 5.668 11.306 3.385 1.00 0.00 C ATOM 2068 C LEU C 36 6.559 11.563 4.593 1.00 0.00 C ATOM 2069 O LEU C 36 7.485 12.374 4.546 1.00 0.00 O ATOM 2070 CB LEU C 36 6.024 9.945 2.781 1.00 0.00 C ATOM 2071 CG LEU C 36 5.213 9.547 1.547 1.00 0.00 C ATOM 2072 CD1 LEU C 36 5.862 10.062 0.269 1.00 0.00 C ATOM 2073 CD2 LEU C 36 5.050 8.045 1.496 1.00 0.00 C ATOM 0 H LEU C 36 6.489 12.173 1.661 1.00 0.00 H new ATOM 0 HA LEU C 36 4.632 11.309 3.723 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.081 9.949 2.515 1.00 0.00 H new ATOM 0 HB3 LEU C 36 5.890 9.180 3.546 1.00 0.00 H new ATOM 0 HG LEU C 36 4.227 10.006 1.624 1.00 0.00 H new ATOM 0 HD11 LEU C 36 5.262 9.763 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU C 36 5.926 11.150 0.306 1.00 0.00 H new ATOM 0 HD13 LEU C 36 6.864 9.643 0.175 1.00 0.00 H new ATOM 0 HD21 LEU C 36 4.471 7.772 0.614 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.032 7.574 1.446 1.00 0.00 H new ATOM 0 HD23 LEU C 36 4.529 7.705 2.391 1.00 0.00 H new ATOM 2085 N THR C 37 6.263 10.850 5.673 1.00 0.00 N ATOM 2086 CA THR C 37 7.088 10.854 6.870 1.00 0.00 C ATOM 2087 C THR C 37 7.848 9.537 6.930 1.00 0.00 C ATOM 2088 O THR C 37 7.627 8.683 6.085 1.00 0.00 O ATOM 2089 CB THR C 37 6.231 11.000 8.148 1.00 0.00 C ATOM 2090 OG1 THR C 37 5.334 9.885 8.273 1.00 0.00 O ATOM 2091 CG2 THR C 37 5.425 12.287 8.124 1.00 0.00 C ATOM 0 H THR C 37 5.440 10.251 5.741 1.00 0.00 H new ATOM 0 HA THR C 37 7.771 11.702 6.823 1.00 0.00 H new ATOM 0 HB THR C 37 6.909 11.026 9.001 1.00 0.00 H new ATOM 0 HG1 THR C 37 4.913 9.901 9.158 1.00 0.00 H new ATOM 0 HG21 THR C 37 4.832 12.362 9.036 1.00 0.00 H new ATOM 0 HG22 THR C 37 6.102 13.139 8.060 1.00 0.00 H new ATOM 0 HG23 THR C 37 4.762 12.285 7.259 1.00 0.00 H new ATOM 2099 N ALA C 38 8.729 9.361 7.907 1.00 0.00 N ATOM 2100 CA ALA C 38 9.516 8.130 8.012 1.00 0.00 C ATOM 2101 C ALA C 38 8.625 6.889 8.029 1.00 0.00 C ATOM 2102 O ALA C 38 8.895 5.916 7.322 1.00 0.00 O ATOM 2103 CB ALA C 38 10.402 8.177 9.242 1.00 0.00 C ATOM 0 H ALA C 38 8.919 10.049 8.636 1.00 0.00 H new ATOM 0 HA ALA C 38 10.148 8.060 7.127 1.00 0.00 H new ATOM 0 HB1 ALA C 38 10.982 7.256 9.308 1.00 0.00 H new ATOM 0 HB2 ALA C 38 11.079 9.028 9.170 1.00 0.00 H new ATOM 0 HB3 ALA C 38 9.783 8.281 10.133 1.00 0.00 H new ATOM 2109 N GLN C 39 7.564 6.918 8.832 1.00 0.00 N ATOM 2110 CA GLN C 39 6.603 5.823 8.847 1.00 0.00 C ATOM 2111 C GLN C 39 5.955 5.646 7.477 1.00 0.00 C ATOM 2112 O GLN C 39 5.814 4.523 6.991 1.00 0.00 O ATOM 2113 CB GLN C 39 5.534 6.055 9.916 1.00 0.00 C ATOM 2114 CG GLN C 39 4.519 4.928 10.000 1.00 0.00 C ATOM 2115 CD GLN C 39 3.533 5.113 11.128 1.00 0.00 C ATOM 2116 OE1 GLN C 39 3.852 5.703 12.157 1.00 0.00 O ATOM 2117 NE2 GLN C 39 2.326 4.609 10.940 1.00 0.00 N ATOM 0 H GLN C 39 7.351 7.681 9.474 1.00 0.00 H new ATOM 0 HA GLN C 39 7.143 4.908 9.090 1.00 0.00 H new ATOM 0 HB2 GLN C 39 6.018 6.173 10.886 1.00 0.00 H new ATOM 0 HB3 GLN C 39 5.014 6.989 9.704 1.00 0.00 H new ATOM 0 HG2 GLN C 39 3.977 4.862 9.057 1.00 0.00 H new ATOM 0 HG3 GLN C 39 5.043 3.982 10.133 1.00 0.00 H new ATOM 0 HE21 GLN C 39 2.105 4.126 10.069 1.00 0.00 H new ATOM 0 HE22 GLN C 39 1.616 4.703 11.666 1.00 0.00 H new ATOM 2126 N GLY C 40 5.578 6.754 6.849 1.00 0.00 N ATOM 2127 CA GLY C 40 5.008 6.693 5.519 1.00 0.00 C ATOM 2128 C GLY C 40 6.020 6.220 4.492 1.00 0.00 C ATOM 2129 O GLY C 40 5.665 5.579 3.509 1.00 0.00 O ATOM 0 H GLY C 40 5.658 7.693 7.239 1.00 0.00 H new ATOM 0 HA2 GLY C 40 4.151 6.019 5.522 1.00 0.00 H new ATOM 0 HA3 GLY C 40 4.638 7.679 5.237 1.00 0.00 H new ATOM 2133 N TYR C 41 7.287 6.519 4.739 1.00 0.00 N ATOM 2134 CA TYR C 41 8.370 6.096 3.864 1.00 0.00 C ATOM 2135 C TYR C 41 8.592 4.598 3.953 1.00 0.00 C ATOM 2136 O TYR C 41 8.917 3.954 2.952 1.00 0.00 O ATOM 2137 CB TYR C 41 9.658 6.829 4.245 1.00 0.00 C ATOM 2138 CG TYR C 41 9.951 8.062 3.419 1.00 0.00 C ATOM 2139 CD1 TYR C 41 9.394 9.291 3.744 1.00 0.00 C ATOM 2140 CD2 TYR C 41 10.798 7.998 2.321 1.00 0.00 C ATOM 2141 CE1 TYR C 41 9.668 10.420 2.998 1.00 0.00 C ATOM 2142 CE2 TYR C 41 11.079 9.123 1.571 1.00 0.00 C ATOM 2143 CZ TYR C 41 10.511 10.332 1.915 1.00 0.00 C ATOM 2144 OH TYR C 41 10.788 11.456 1.171 1.00 0.00 O ATOM 0 H TYR C 41 7.592 7.060 5.548 1.00 0.00 H new ATOM 0 HA TYR C 41 8.095 6.342 2.838 1.00 0.00 H new ATOM 0 HB2 TYR C 41 9.599 7.117 5.295 1.00 0.00 H new ATOM 0 HB3 TYR C 41 10.495 6.137 4.150 1.00 0.00 H new ATOM 0 HD1 TYR C 41 8.734 9.366 4.596 1.00 0.00 H new ATOM 0 HD2 TYR C 41 11.244 7.053 2.049 1.00 0.00 H new ATOM 0 HE1 TYR C 41 9.223 11.367 3.264 1.00 0.00 H new ATOM 0 HE2 TYR C 41 11.740 9.057 0.720 1.00 0.00 H new ATOM 0 HH TYR C 41 11.401 11.223 0.442 1.00 0.00 H new ATOM 2154 N THR C 42 8.383 4.034 5.129 1.00 0.00 N ATOM 2155 CA THR C 42 8.448 2.594 5.296 1.00 0.00 C ATOM 2156 C THR C 42 7.282 1.932 4.572 1.00 0.00 C ATOM 2157 O THR C 42 7.405 0.836 4.015 1.00 0.00 O ATOM 2158 CB THR C 42 8.378 2.228 6.785 1.00 0.00 C ATOM 2159 OG1 THR C 42 9.361 2.971 7.509 1.00 0.00 O ATOM 2160 CG2 THR C 42 8.593 0.739 7.000 1.00 0.00 C ATOM 0 H THR C 42 8.167 4.551 5.981 1.00 0.00 H new ATOM 0 HA THR C 42 9.391 2.242 4.877 1.00 0.00 H new ATOM 0 HB THR C 42 7.383 2.480 7.151 1.00 0.00 H new ATOM 0 HG1 THR C 42 9.090 3.911 7.558 1.00 0.00 H new ATOM 0 HG21 THR C 42 8.537 0.513 8.065 1.00 0.00 H new ATOM 0 HG22 THR C 42 7.822 0.180 6.470 1.00 0.00 H new ATOM 0 HG23 THR C 42 9.574 0.454 6.620 1.00 0.00 H new ATOM 2168 N LEU C 43 6.164 2.640 4.533 1.00 0.00 N ATOM 2169 CA LEU C 43 4.956 2.118 3.928 1.00 0.00 C ATOM 2170 C LEU C 43 4.934 2.415 2.434 1.00 0.00 C ATOM 2171 O LEU C 43 4.129 1.845 1.710 1.00 0.00 O ATOM 2172 CB LEU C 43 3.700 2.708 4.599 1.00 0.00 C ATOM 2173 CG LEU C 43 2.997 1.816 5.646 1.00 0.00 C ATOM 2174 CD1 LEU C 43 3.974 1.357 6.714 1.00 0.00 C ATOM 2175 CD2 LEU C 43 1.845 2.578 6.282 1.00 0.00 C ATOM 0 H LEU C 43 6.072 3.581 4.916 1.00 0.00 H new ATOM 0 HA LEU C 43 4.951 1.038 4.075 1.00 0.00 H new ATOM 0 HB2 LEU C 43 3.978 3.645 5.081 1.00 0.00 H new ATOM 0 HB3 LEU C 43 2.979 2.952 3.819 1.00 0.00 H new ATOM 0 HG LEU C 43 2.609 0.932 5.141 1.00 0.00 H new ATOM 0 HD11 LEU C 43 3.453 0.731 7.438 1.00 0.00 H new ATOM 0 HD12 LEU C 43 4.777 0.784 6.250 1.00 0.00 H new ATOM 0 HD13 LEU C 43 4.394 2.226 7.221 1.00 0.00 H new ATOM 0 HD21 LEU C 43 1.353 1.944 7.020 1.00 0.00 H new ATOM 0 HD22 LEU C 43 2.227 3.474 6.771 1.00 0.00 H new ATOM 0 HD23 LEU C 43 1.128 2.863 5.512 1.00 0.00 H new ATOM 2187 N LEU C 44 5.828 3.281 1.950 1.00 0.00 N ATOM 2188 CA LEU C 44 5.844 3.596 0.530 1.00 0.00 C ATOM 2189 C LEU C 44 6.700 2.581 -0.222 1.00 0.00 C ATOM 2190 O LEU C 44 6.299 2.091 -1.267 1.00 0.00 O ATOM 2191 CB LEU C 44 6.309 5.053 0.262 1.00 0.00 C ATOM 2192 CG LEU C 44 7.819 5.311 0.073 1.00 0.00 C ATOM 2193 CD1 LEU C 44 8.283 4.910 -1.325 1.00 0.00 C ATOM 2194 CD2 LEU C 44 8.146 6.779 0.294 1.00 0.00 C ATOM 0 H LEU C 44 6.532 3.763 2.509 1.00 0.00 H new ATOM 0 HA LEU C 44 4.822 3.528 0.156 1.00 0.00 H new ATOM 0 HB2 LEU C 44 5.796 5.408 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU C 44 5.967 5.670 1.092 1.00 0.00 H new ATOM 0 HG LEU C 44 8.341 4.701 0.810 1.00 0.00 H new ATOM 0 HD11 LEU C 44 9.351 5.105 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU C 44 8.092 3.848 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU C 44 7.738 5.490 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU C 44 9.215 6.938 0.156 1.00 0.00 H new ATOM 0 HD22 LEU C 44 7.593 7.387 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU C 44 7.864 7.066 1.307 1.00 0.00 H new ATOM 2206 N ASP C 45 7.862 2.241 0.331 1.00 0.00 N ATOM 2207 CA ASP C 45 8.777 1.321 -0.339 1.00 0.00 C ATOM 2208 C ASP C 45 8.215 -0.087 -0.314 1.00 0.00 C ATOM 2209 O ASP C 45 8.514 -0.910 -1.179 1.00 0.00 O ATOM 2210 CB ASP C 45 10.152 1.349 0.330 1.00 0.00 C ATOM 2211 CG ASP C 45 11.173 0.505 -0.408 1.00 0.00 C ATOM 2212 OD1 ASP C 45 11.627 0.937 -1.485 1.00 0.00 O ATOM 2213 OD2 ASP C 45 11.523 -0.591 0.079 1.00 0.00 O ATOM 0 H ASP C 45 8.190 2.585 1.233 1.00 0.00 H new ATOM 0 HA ASP C 45 8.888 1.639 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP C 45 10.506 2.379 0.383 1.00 0.00 H new ATOM 0 HB3 ASP C 45 10.061 0.990 1.355 1.00 0.00 H new ATOM 2218 N PHE C 46 7.348 -0.336 0.649 1.00 0.00 N ATOM 2219 CA PHE C 46 6.660 -1.606 0.748 1.00 0.00 C ATOM 2220 C PHE C 46 5.585 -1.706 -0.317 1.00 0.00 C ATOM 2221 O PHE C 46 5.432 -2.739 -0.966 1.00 0.00 O ATOM 2222 CB PHE C 46 6.009 -1.683 2.129 1.00 0.00 C ATOM 2223 CG PHE C 46 5.351 -2.989 2.462 1.00 0.00 C ATOM 2224 CD1 PHE C 46 4.025 -3.216 2.132 1.00 0.00 C ATOM 2225 CD2 PHE C 46 6.054 -3.981 3.125 1.00 0.00 C ATOM 2226 CE1 PHE C 46 3.413 -4.408 2.456 1.00 0.00 C ATOM 2227 CE2 PHE C 46 5.446 -5.176 3.448 1.00 0.00 C ATOM 2228 CZ PHE C 46 4.125 -5.390 3.115 1.00 0.00 C ATOM 0 H PHE C 46 7.103 0.332 1.379 1.00 0.00 H new ATOM 0 HA PHE C 46 7.368 -2.423 0.606 1.00 0.00 H new ATOM 0 HB2 PHE C 46 6.770 -1.477 2.882 1.00 0.00 H new ATOM 0 HB3 PHE C 46 5.264 -0.891 2.205 1.00 0.00 H new ATOM 0 HD1 PHE C 46 3.465 -2.451 1.615 1.00 0.00 H new ATOM 0 HD2 PHE C 46 7.088 -3.817 3.392 1.00 0.00 H new ATOM 0 HE1 PHE C 46 2.378 -4.573 2.195 1.00 0.00 H new ATOM 0 HE2 PHE C 46 6.005 -5.944 3.962 1.00 0.00 H new ATOM 0 HZ PHE C 46 3.648 -6.325 3.370 1.00 0.00 H new ATOM 2238 N ILE C 47 4.859 -0.627 -0.526 1.00 0.00 N ATOM 2239 CA ILE C 47 3.786 -0.660 -1.494 1.00 0.00 C ATOM 2240 C ILE C 47 4.330 -0.514 -2.915 1.00 0.00 C ATOM 2241 O ILE C 47 3.747 -1.026 -3.869 1.00 0.00 O ATOM 2242 CB ILE C 47 2.713 0.404 -1.195 1.00 0.00 C ATOM 2243 CG1 ILE C 47 3.318 1.811 -1.210 1.00 0.00 C ATOM 2244 CG2 ILE C 47 2.079 0.109 0.155 1.00 0.00 C ATOM 2245 CD1 ILE C 47 2.343 2.907 -0.835 1.00 0.00 C ATOM 0 H ILE C 47 4.989 0.265 -0.049 1.00 0.00 H new ATOM 0 HA ILE C 47 3.303 -1.634 -1.415 1.00 0.00 H new ATOM 0 HB ILE C 47 1.948 0.366 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.162 1.839 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE C 47 3.712 2.015 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE C 47 1.319 0.859 0.372 1.00 0.00 H new ATOM 0 HG22 ILE C 47 1.618 -0.879 0.133 1.00 0.00 H new ATOM 0 HG23 ILE C 47 2.845 0.134 0.930 1.00 0.00 H new ATOM 0 HD11 ILE C 47 2.849 3.872 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE C 47 1.510 2.909 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE C 47 1.967 2.730 0.173 1.00 0.00 H new ATOM 2257 N GLN C 48 5.469 0.155 -3.039 1.00 0.00 N ATOM 2258 CA GLN C 48 6.228 0.157 -4.275 1.00 0.00 C ATOM 2259 C GLN C 48 6.530 -1.273 -4.689 1.00 0.00 C ATOM 2260 O GLN C 48 6.083 -1.743 -5.717 1.00 0.00 O ATOM 2261 CB GLN C 48 7.549 0.911 -4.090 1.00 0.00 C ATOM 2262 CG GLN C 48 7.400 2.417 -3.953 1.00 0.00 C ATOM 2263 CD GLN C 48 6.736 3.058 -5.154 1.00 0.00 C ATOM 2264 OE1 GLN C 48 6.856 2.577 -6.282 1.00 0.00 O ATOM 2265 NE2 GLN C 48 6.037 4.155 -4.920 1.00 0.00 N ATOM 0 H GLN C 48 5.887 0.706 -2.290 1.00 0.00 H new ATOM 0 HA GLN C 48 5.637 0.653 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN C 48 8.052 0.526 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN C 48 8.197 0.698 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN C 48 6.815 2.639 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN C 48 8.384 2.862 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN C 48 5.963 4.520 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN C 48 5.571 4.637 -5.689 1.00 0.00 H new ATOM 2274 N LYS C 49 7.170 -1.983 -3.787 1.00 0.00 N ATOM 2275 CA LYS C 49 7.848 -3.236 -4.092 1.00 0.00 C ATOM 2276 C LYS C 49 6.882 -4.419 -4.232 1.00 0.00 C ATOM 2277 O LYS C 49 7.297 -5.529 -4.578 1.00 0.00 O ATOM 2278 CB LYS C 49 8.842 -3.483 -2.958 1.00 0.00 C ATOM 2279 CG LYS C 49 9.869 -4.574 -3.202 1.00 0.00 C ATOM 2280 CD LYS C 49 10.676 -4.837 -1.938 1.00 0.00 C ATOM 2281 CE LYS C 49 11.280 -3.552 -1.385 1.00 0.00 C ATOM 2282 NZ LYS C 49 11.879 -3.744 -0.040 1.00 0.00 N ATOM 0 H LYS C 49 7.239 -1.708 -2.807 1.00 0.00 H new ATOM 0 HA LYS C 49 8.347 -3.154 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.371 -2.552 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS C 49 8.281 -3.734 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS C 49 9.368 -5.489 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS C 49 10.536 -4.279 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS C 49 10.035 -5.293 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS C 49 11.471 -5.551 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS C 49 12.044 -3.187 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS C 49 10.508 -2.784 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.921 -2.830 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 11.296 -4.409 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 12.840 -4.128 -0.140 1.00 0.00 H new ATOM 2296 N HIS C 50 5.599 -4.222 -3.943 1.00 0.00 N ATOM 2297 CA HIS C 50 4.654 -5.305 -4.235 1.00 0.00 C ATOM 2298 C HIS C 50 3.600 -4.940 -5.285 1.00 0.00 C ATOM 2299 O HIS C 50 2.794 -5.788 -5.657 1.00 0.00 O ATOM 2300 CB HIS C 50 3.974 -5.749 -2.937 1.00 0.00 C ATOM 2301 CG HIS C 50 4.955 -6.012 -1.833 1.00 0.00 C ATOM 2302 ND1 HIS C 50 4.906 -5.371 -0.620 1.00 0.00 N ATOM 2303 CD2 HIS C 50 6.049 -6.809 -1.790 1.00 0.00 C ATOM 2304 CE1 HIS C 50 5.927 -5.754 0.118 1.00 0.00 C ATOM 2305 NE2 HIS C 50 6.639 -6.625 -0.564 1.00 0.00 N ATOM 0 H HIS C 50 5.202 -3.377 -3.531 1.00 0.00 H new ATOM 0 HA HIS C 50 5.234 -6.122 -4.665 1.00 0.00 H new ATOM 0 HB2 HIS C 50 3.271 -4.980 -2.618 1.00 0.00 H new ATOM 0 HB3 HIS C 50 3.394 -6.652 -3.126 1.00 0.00 H new ATOM 0 HD2 HIS C 50 6.393 -7.467 -2.574 1.00 0.00 H new ATOM 0 HE1 HIS C 50 6.144 -5.410 1.118 1.00 0.00 H new ATOM 0 HE2 HIS C 50 7.488 -7.087 -0.237 1.00 0.00 H new ATOM 2314 N LEU C 51 3.603 -3.707 -5.778 1.00 0.00 N ATOM 2315 CA LEU C 51 2.709 -3.343 -6.889 1.00 0.00 C ATOM 2316 C LEU C 51 3.501 -2.906 -8.107 1.00 0.00 C ATOM 2317 O LEU C 51 3.118 -3.158 -9.247 1.00 0.00 O ATOM 2318 CB LEU C 51 1.769 -2.186 -6.524 1.00 0.00 C ATOM 2319 CG LEU C 51 0.621 -2.493 -5.556 1.00 0.00 C ATOM 2320 CD1 LEU C 51 -0.190 -3.696 -6.021 1.00 0.00 C ATOM 2321 CD2 LEU C 51 1.145 -2.708 -4.156 1.00 0.00 C ATOM 0 H LEU C 51 4.198 -2.951 -5.440 1.00 0.00 H new ATOM 0 HA LEU C 51 2.126 -4.239 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU C 51 2.370 -1.386 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU C 51 1.338 -1.798 -7.447 1.00 0.00 H new ATOM 0 HG LEU C 51 -0.044 -1.630 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -0.996 -3.887 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -0.612 -3.492 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU C 51 0.457 -4.571 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU C 51 0.313 -2.924 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU C 51 1.841 -3.547 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU C 51 1.659 -1.808 -3.818 1.00 0.00 H new ATOM 2333 N ASN C 52 4.599 -2.232 -7.848 1.00 0.00 N ATOM 2334 CA ASN C 52 5.307 -1.485 -8.871 1.00 0.00 C ATOM 2335 C ASN C 52 6.778 -1.887 -8.960 1.00 0.00 C ATOM 2336 O ASN C 52 7.371 -1.856 -10.037 1.00 0.00 O ATOM 2337 CB ASN C 52 5.166 0.004 -8.553 1.00 0.00 C ATOM 2338 CG ASN C 52 4.068 0.682 -9.359 1.00 0.00 C ATOM 2339 OD1 ASN C 52 3.057 -0.073 -9.770 1.00 0.00 O flip ATOM 2340 ND2 ASN C 52 4.132 1.883 -9.616 1.00 0.00 N flip ATOM 0 H ASN C 52 5.028 -2.184 -6.924 1.00 0.00 H new ATOM 0 HA ASN C 52 4.871 -1.708 -9.845 1.00 0.00 H new ATOM 0 HB2 ASN C 52 4.956 0.125 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN C 52 6.115 0.503 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN C 52 4.924 2.434 -9.284 1.00 0.00 H new ATOM 0 HD22 ASN C 52 3.393 2.328 -10.161 1.00 0.00 H new ATOM 2347 N LYS C 53 7.358 -2.260 -7.833 1.00 0.00 N ATOM 2348 CA LYS C 53 8.747 -2.674 -7.780 1.00 0.00 C ATOM 2349 C LYS C 53 8.853 -4.173 -7.500 1.00 0.00 C ATOM 2350 O LYS C 53 9.328 -4.544 -6.411 1.00 0.00 O ATOM 2351 CB LYS C 53 9.483 -1.880 -6.696 1.00 0.00 C ATOM 2352 CG LYS C 53 10.270 -0.696 -7.225 1.00 0.00 C ATOM 2353 CD LYS C 53 11.379 -0.295 -6.261 1.00 0.00 C ATOM 2354 CE LYS C 53 10.842 0.229 -4.941 1.00 0.00 C ATOM 2355 NZ LYS C 53 11.944 0.663 -4.041 1.00 0.00 N ATOM 2356 OXT LYS C 53 8.448 -4.971 -8.370 1.00 0.00 O ATOM 0 H LYS C 53 6.880 -2.284 -6.932 1.00 0.00 H new ATOM 0 HA LYS C 53 9.209 -2.474 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS C 53 8.757 -1.523 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS C 53 10.163 -2.549 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS C 53 10.701 -0.946 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS C 53 9.599 0.148 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS C 53 12.021 -1.156 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS C 53 12.001 0.470 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS C 53 10.170 1.067 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS C 53 10.255 -0.548 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS C 53 11.565 0.839 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS C 53 12.668 -0.082 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS C 53 12.370 1.537 -4.411 1.00 0.00 H new TER 2370 LYS C 53 HETATM 2371 ZN ZN A 54 -20.259 -3.707 -2.579 1.00 0.00 ZN HETATM 2372 ZN ZN B 54 13.753 -15.520 -3.094 1.00 0.00 ZN HETATM 2373 ZN ZN C 54 6.234 19.551 -3.030 1.00 0.00 ZN