USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 902 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 THR OG1 : rot -40:sc= -0.103 USER MOD Set 1.2: B 35 LYS NZ :NH3+ 171:sc= 0.786 (180deg=0.637) USER MOD Set 2.1: A 58 THR OG1 : rot -34:sc= 0.39 USER MOD Set 2.2: B 8 GLN :FLIP amide:sc= 0.123 F(o=-1.5!,f=0.51) USER MOD Set 2.3: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 1 MET CE :methyl 155:sc= -0.058 (180deg=-0.6) USER MOD Set 3.2: B 2 TYR OH : rot 180:sc= -0.355 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0.76 USER MOD Set 4.2: A 28 SER OG : rot 161:sc= 0.861 USER MOD Single : A 1 MET CE :methyl -173:sc=-0.00448 (180deg=-0.0596) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0786 (180deg=0) USER MOD Single : A 2 TYR OH : rot -140:sc= -0.578 USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0159) USER MOD Single : A 8 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.14) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= 1.22 (180deg=-0.162) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00847 X(o=-0.0085,f=-0.0085) USER MOD Single : A 25 THR OG1 : rot 78:sc= 0.208 USER MOD Single : A 26 MET CE :methyl -144:sc= -6.74! (180deg=-9.22!) USER MOD Single : A 29 SER OG : rot 72:sc= 0.711 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -160:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 44 SER OG : rot -133:sc= -0.155 USER MOD Single : A 46 LYS NZ :NH3+ -105:sc= 1.17 (180deg=-0.546) USER MOD Single : A 48 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.39) USER MOD Single : A 49 SER OG : rot 83:sc= -0.214 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.017 USER MOD Single : B 1 MET N :NH3+ -117:sc= 0.117 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0277) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.474 USER MOD Single : B 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00813) USER MOD Single : B 19 LYS NZ :NH3+ -126:sc= 0.98 (180deg=-0.0361) USER MOD Single : B 21 SER OG : rot 180:sc=-0.00221 USER MOD Single : B 22 ASN : amide:sc= -0.08 K(o=-0.08,f=-4.8!) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : B 26 MET CE :methyl -143:sc= -6.6! (180deg=-9.25!) USER MOD Single : B 28 SER OG : rot -49:sc= 0.794 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 32 TYR OH : rot 35:sc= 0.124 USER MOD Single : B 33 LYS NZ :NH3+ -164:sc= -0.0191 (180deg=-0.238) USER MOD Single : B 37 SER OG : rot -150:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : B 44 SER OG : rot -120:sc= -0.235 USER MOD Single : B 46 LYS NZ :NH3+ -124:sc= 1.18 (180deg=-0.607) USER MOD Single : B 48 ASN :FLIP amide:sc= -0.348 F(o=-1.3,f=-0.35) USER MOD Single : B 49 SER OG : rot 6:sc= -0.353 USER MOD Single : B 54 THR OG1 : rot 180:sc=-0.00808 USER MOD Single : B 58 THR OG1 : rot -34:sc= 0.159 USER MOD Single : B 59 THR OG1 : rot -62:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.207 8.067 10.881 1.00 0.00 N ATOM 2 CA MET A 1 -11.449 8.206 9.616 1.00 0.00 C ATOM 3 C MET A 1 -10.755 6.877 9.266 1.00 0.00 C ATOM 4 O MET A 1 -10.540 6.027 10.142 1.00 0.00 O ATOM 5 CB MET A 1 -10.394 9.352 9.737 1.00 0.00 C ATOM 6 CG MET A 1 -9.618 9.677 8.444 1.00 0.00 C ATOM 7 SD MET A 1 -8.142 10.697 8.708 1.00 0.00 S ATOM 8 CE MET A 1 -8.761 12.077 9.667 1.00 0.00 C ATOM 0 H1 MET A 1 -13.226 8.125 10.683 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.990 7.148 11.316 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.937 8.831 11.533 1.00 0.00 H new ATOM 0 HA MET A 1 -12.146 8.460 8.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.902 10.256 10.073 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.677 9.082 10.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.321 8.743 7.966 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.284 10.192 7.752 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.975 12.824 9.779 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.614 12.522 9.155 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.071 11.726 10.651 1.00 0.00 H new ATOM 18 N TYR A 2 -10.439 6.694 7.968 1.00 0.00 N ATOM 19 CA TYR A 2 -9.548 5.621 7.504 1.00 0.00 C ATOM 20 C TYR A 2 -8.101 5.857 7.976 1.00 0.00 C ATOM 21 O TYR A 2 -7.720 6.978 8.343 1.00 0.00 O ATOM 22 CB TYR A 2 -9.623 5.453 5.965 1.00 0.00 C ATOM 23 CG TYR A 2 -9.601 6.750 5.127 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.523 7.642 5.172 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.664 7.073 4.279 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.514 8.790 4.409 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.657 8.216 3.518 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.583 9.071 3.588 1.00 0.00 C ATOM 29 OH TYR A 2 -9.579 10.212 2.831 1.00 0.00 O ATOM 0 H TYR A 2 -10.795 7.286 7.217 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.891 4.688 7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.787 4.829 5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.536 4.908 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.683 7.427 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.512 6.407 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.673 9.466 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.490 8.442 2.869 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.476 10.607 2.830 1.00 0.00 H new ATOM 39 N LYS A 3 -7.293 4.795 7.909 1.00 0.00 N ATOM 40 CA LYS A 3 -5.955 4.771 8.506 1.00 0.00 C ATOM 41 C LYS A 3 -5.128 3.590 7.970 1.00 0.00 C ATOM 42 O LYS A 3 -5.598 2.801 7.135 1.00 0.00 O ATOM 43 CB LYS A 3 -6.046 4.784 10.081 1.00 0.00 C ATOM 44 CG LYS A 3 -7.065 3.829 10.764 1.00 0.00 C ATOM 45 CD LYS A 3 -6.729 2.329 10.600 1.00 0.00 C ATOM 46 CE LYS A 3 -7.533 1.431 11.547 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.991 1.587 11.381 1.00 0.00 N ATOM 0 H LYS A 3 -7.549 3.927 7.439 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.427 5.677 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.056 4.552 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.282 5.801 10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.113 4.066 11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.056 4.016 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.923 2.029 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.665 2.178 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.261 0.390 11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.262 1.662 12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.485 0.898 11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.271 2.550 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.247 1.423 10.386 1.00 0.00 H new ATOM 61 N PHE A 4 -3.890 3.494 8.478 1.00 0.00 N ATOM 62 CA PHE A 4 -2.934 2.441 8.133 1.00 0.00 C ATOM 63 C PHE A 4 -2.927 1.381 9.236 1.00 0.00 C ATOM 64 O PHE A 4 -2.552 1.671 10.375 1.00 0.00 O ATOM 65 CB PHE A 4 -1.516 3.039 7.962 1.00 0.00 C ATOM 66 CG PHE A 4 -1.412 4.025 6.811 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.695 5.380 6.994 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.031 3.591 5.543 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.600 6.263 5.943 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.936 4.475 4.498 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.220 5.808 4.700 1.00 0.00 C ATOM 0 H PHE A 4 -3.522 4.163 9.154 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.231 1.981 7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.227 3.539 8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.805 2.229 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.991 5.738 7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.808 2.547 5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.823 7.309 6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.639 4.127 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.144 6.502 3.876 1.00 0.00 H new ATOM 81 N GLU A 5 -3.361 0.167 8.888 1.00 0.00 N ATOM 82 CA GLU A 5 -3.335 -0.984 9.795 1.00 0.00 C ATOM 83 C GLU A 5 -2.041 -1.765 9.543 1.00 0.00 C ATOM 84 O GLU A 5 -1.888 -2.392 8.484 1.00 0.00 O ATOM 85 CB GLU A 5 -4.572 -1.895 9.588 1.00 0.00 C ATOM 86 CG GLU A 5 -5.920 -1.193 9.747 1.00 0.00 C ATOM 87 CD GLU A 5 -7.107 -2.166 9.811 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.394 -2.830 8.793 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.753 -2.280 10.874 1.00 0.00 O ATOM 0 H GLU A 5 -3.742 -0.046 7.966 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.367 -0.633 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.521 -2.331 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.522 -2.719 10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.903 -0.591 10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.066 -0.507 8.912 1.00 0.00 H new ATOM 96 N ILE A 6 -1.114 -1.709 10.514 1.00 0.00 N ATOM 97 CA ILE A 6 0.216 -2.313 10.396 1.00 0.00 C ATOM 98 C ILE A 6 0.166 -3.699 11.010 1.00 0.00 C ATOM 99 O ILE A 6 -0.004 -3.841 12.220 1.00 0.00 O ATOM 100 CB ILE A 6 1.307 -1.480 11.150 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.210 0.018 10.751 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.735 -2.051 10.893 1.00 0.00 C ATOM 103 CD1 ILE A 6 1.977 0.949 11.660 1.00 0.00 C ATOM 0 H ILE A 6 -1.271 -1.240 11.406 1.00 0.00 H new ATOM 0 HA ILE A 6 0.482 -2.346 9.340 1.00 0.00 H new ATOM 0 HB ILE A 6 1.121 -1.559 12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.579 0.136 9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.161 0.315 10.746 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.469 -1.451 11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.783 -3.082 11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.952 -2.020 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.858 1.976 11.313 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.594 0.863 12.677 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.034 0.682 11.647 1.00 0.00 H new ATOM 115 N TYR A 7 0.320 -4.705 10.185 1.00 0.00 N ATOM 116 CA TYR A 7 0.256 -6.092 10.621 1.00 0.00 C ATOM 117 C TYR A 7 1.389 -6.861 9.955 1.00 0.00 C ATOM 118 O TYR A 7 1.906 -6.426 8.932 1.00 0.00 O ATOM 119 CB TYR A 7 -1.131 -6.696 10.287 1.00 0.00 C ATOM 120 CG TYR A 7 -1.359 -6.995 8.794 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.650 -5.976 7.880 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.280 -8.302 8.305 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.850 -6.259 6.538 1.00 0.00 C ATOM 124 CE2 TYR A 7 -1.476 -8.584 6.972 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.763 -7.566 6.094 1.00 0.00 C ATOM 126 OH TYR A 7 -1.965 -7.859 4.767 1.00 0.00 O ATOM 0 H TYR A 7 0.494 -4.592 9.186 1.00 0.00 H new ATOM 0 HA TYR A 7 0.378 -6.158 11.702 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.256 -7.620 10.852 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.904 -6.007 10.628 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.720 -4.955 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.060 -9.109 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.073 -5.463 5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.405 -9.602 6.617 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.866 -8.824 4.626 1.00 0.00 H new ATOM 136 N GLN A 8 1.737 -8.021 10.501 1.00 0.00 N ATOM 137 CA GLN A 8 2.658 -8.939 9.817 1.00 0.00 C ATOM 138 C GLN A 8 1.805 -10.050 9.200 1.00 0.00 C ATOM 139 O GLN A 8 0.764 -10.438 9.758 1.00 0.00 O ATOM 140 CB GLN A 8 3.768 -9.548 10.733 1.00 0.00 C ATOM 141 CG GLN A 8 3.352 -10.805 11.536 1.00 0.00 C ATOM 142 CD GLN A 8 4.500 -11.584 12.203 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.343 -12.758 12.531 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.686 -11.001 12.298 1.00 0.00 N ATOM 0 H GLN A 8 1.402 -8.351 11.406 1.00 0.00 H new ATOM 0 HA GLN A 8 3.207 -8.371 9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.628 -9.802 10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.097 -8.782 11.435 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.646 -10.502 12.309 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.820 -11.481 10.867 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.798 -10.026 12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.487 -11.527 12.648 1.00 0.00 H new ATOM 153 N ASP A 9 2.237 -10.538 8.045 1.00 0.00 N ATOM 154 CA ASP A 9 1.631 -11.690 7.397 1.00 0.00 C ATOM 155 C ASP A 9 2.137 -12.964 8.092 1.00 0.00 C ATOM 156 O ASP A 9 3.163 -12.904 8.768 1.00 0.00 O ATOM 157 CB ASP A 9 1.983 -11.671 5.883 1.00 0.00 C ATOM 158 CG ASP A 9 1.331 -12.807 5.091 1.00 0.00 C ATOM 159 OD1 ASP A 9 0.139 -12.690 4.756 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.994 -13.835 4.831 1.00 0.00 O ATOM 0 H ASP A 9 3.023 -10.142 7.529 1.00 0.00 H new ATOM 0 HA ASP A 9 0.545 -11.663 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.672 -10.717 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.065 -11.733 5.769 1.00 0.00 H new ATOM 165 N LYS A 10 1.405 -14.085 7.914 1.00 0.00 N ATOM 166 CA LYS A 10 1.753 -15.432 8.436 1.00 0.00 C ATOM 167 C LYS A 10 3.233 -15.806 8.148 1.00 0.00 C ATOM 168 O LYS A 10 3.896 -16.461 8.957 1.00 0.00 O ATOM 169 CB LYS A 10 0.745 -16.470 7.854 1.00 0.00 C ATOM 170 CG LYS A 10 0.926 -17.956 8.294 1.00 0.00 C ATOM 171 CD LYS A 10 1.766 -18.812 7.310 1.00 0.00 C ATOM 172 CE LYS A 10 1.131 -18.897 5.907 1.00 0.00 C ATOM 173 NZ LYS A 10 1.919 -19.754 4.985 1.00 0.00 N ATOM 0 H LYS A 10 0.530 -14.082 7.389 1.00 0.00 H new ATOM 0 HA LYS A 10 1.667 -15.432 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.262 -16.155 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.806 -16.429 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.402 -17.978 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.057 -18.412 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.766 -18.387 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.880 -19.818 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.119 -19.292 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.048 -17.895 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.455 -19.782 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.877 -19.364 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.977 -20.718 5.372 1.00 0.00 H new ATOM 187 N ALA A 11 3.726 -15.345 6.989 1.00 0.00 N ATOM 188 CA ALA A 11 5.134 -15.509 6.554 1.00 0.00 C ATOM 189 C ALA A 11 6.125 -14.582 7.329 1.00 0.00 C ATOM 190 O ALA A 11 7.308 -14.518 6.980 1.00 0.00 O ATOM 191 CB ALA A 11 5.215 -15.264 5.036 1.00 0.00 C ATOM 0 H ALA A 11 3.154 -14.839 6.312 1.00 0.00 H new ATOM 0 HA ALA A 11 5.444 -16.528 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.246 -15.382 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.582 -15.984 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.874 -14.253 4.812 1.00 0.00 H new ATOM 197 N GLY A 12 5.640 -13.907 8.394 1.00 0.00 N ATOM 198 CA GLY A 12 6.405 -12.929 9.165 1.00 0.00 C ATOM 199 C GLY A 12 6.713 -11.657 8.382 1.00 0.00 C ATOM 200 O GLY A 12 7.726 -10.993 8.642 1.00 0.00 O ATOM 0 H GLY A 12 4.689 -14.036 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.848 -12.668 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.341 -13.384 9.490 1.00 0.00 H new ATOM 204 N GLU A 13 5.823 -11.302 7.432 1.00 0.00 N ATOM 205 CA GLU A 13 6.051 -10.155 6.521 1.00 0.00 C ATOM 206 C GLU A 13 5.368 -8.900 7.080 1.00 0.00 C ATOM 207 O GLU A 13 4.166 -8.723 6.893 1.00 0.00 O ATOM 208 CB GLU A 13 5.529 -10.462 5.090 1.00 0.00 C ATOM 209 CG GLU A 13 6.196 -11.666 4.409 1.00 0.00 C ATOM 210 CD GLU A 13 5.651 -11.921 2.989 1.00 0.00 C ATOM 211 OE1 GLU A 13 4.455 -12.254 2.860 1.00 0.00 O ATOM 212 OE2 GLU A 13 6.408 -11.775 2.003 1.00 0.00 O ATOM 0 H GLU A 13 4.941 -11.790 7.274 1.00 0.00 H new ATOM 0 HA GLU A 13 7.125 -9.979 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.455 -10.639 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.678 -9.580 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.272 -11.499 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.041 -12.556 5.019 1.00 0.00 H new ATOM 219 N TYR A 14 6.119 -8.091 7.846 1.00 0.00 N ATOM 220 CA TYR A 14 5.640 -6.793 8.357 1.00 0.00 C ATOM 221 C TYR A 14 5.197 -5.850 7.215 1.00 0.00 C ATOM 222 O TYR A 14 5.997 -5.421 6.384 1.00 0.00 O ATOM 223 CB TYR A 14 6.701 -6.114 9.243 1.00 0.00 C ATOM 224 CG TYR A 14 6.941 -6.819 10.584 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.020 -6.694 11.626 1.00 0.00 C ATOM 226 CD2 TYR A 14 8.070 -7.608 10.810 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.218 -7.326 12.838 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.270 -8.240 12.020 1.00 0.00 C ATOM 229 CZ TYR A 14 7.342 -8.098 13.031 1.00 0.00 C ATOM 230 OH TYR A 14 7.539 -8.733 14.241 1.00 0.00 O ATOM 0 H TYR A 14 7.073 -8.316 8.128 1.00 0.00 H new ATOM 0 HA TYR A 14 4.764 -6.999 8.972 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.642 -6.069 8.695 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.395 -5.086 9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.136 -6.091 11.481 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.800 -7.726 10.023 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.494 -7.215 13.632 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.151 -8.845 12.175 1.00 0.00 H new ATOM 0 HH TYR A 14 8.379 -9.238 14.213 1.00 0.00 H new ATOM 240 N ARG A 15 3.925 -5.474 7.302 1.00 0.00 N ATOM 241 CA ARG A 15 3.150 -4.802 6.252 1.00 0.00 C ATOM 242 C ARG A 15 2.339 -3.666 6.853 1.00 0.00 C ATOM 243 O ARG A 15 2.248 -3.520 8.071 1.00 0.00 O ATOM 244 CB ARG A 15 2.161 -5.806 5.597 1.00 0.00 C ATOM 245 CG ARG A 15 2.820 -6.915 4.780 1.00 0.00 C ATOM 246 CD ARG A 15 1.876 -8.080 4.506 1.00 0.00 C ATOM 247 NE ARG A 15 2.472 -9.047 3.571 1.00 0.00 N ATOM 248 CZ ARG A 15 1.859 -9.560 2.499 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.617 -9.210 2.203 1.00 0.00 N ATOM 250 NH2 ARG A 15 2.497 -10.422 1.729 1.00 0.00 N ATOM 0 H ARG A 15 3.375 -5.635 8.146 1.00 0.00 H new ATOM 0 HA ARG A 15 3.845 -4.416 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.556 -6.262 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.480 -5.253 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.170 -6.505 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.698 -7.281 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.632 -8.581 5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.940 -7.703 4.094 1.00 0.00 H new ATOM 0 HE ARG A 15 3.428 -9.350 3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.120 -8.544 2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.157 -9.606 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.454 -10.695 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.033 -10.816 0.910 1.00 0.00 H new ATOM 264 N PHE A 16 1.741 -2.887 5.965 1.00 0.00 N ATOM 265 CA PHE A 16 0.685 -1.948 6.299 1.00 0.00 C ATOM 266 C PHE A 16 -0.319 -1.944 5.149 1.00 0.00 C ATOM 267 O PHE A 16 0.057 -2.081 3.971 1.00 0.00 O ATOM 268 CB PHE A 16 1.247 -0.533 6.588 1.00 0.00 C ATOM 269 CG PHE A 16 2.094 0.092 5.472 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.441 -0.240 5.327 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.545 1.020 4.583 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.209 0.337 4.338 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.321 1.602 3.600 1.00 0.00 C ATOM 274 CZ PHE A 16 3.648 1.257 3.474 1.00 0.00 C ATOM 0 H PHE A 16 1.982 -2.891 4.974 1.00 0.00 H new ATOM 0 HA PHE A 16 0.187 -2.258 7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.410 0.133 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.852 -0.581 7.493 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.888 -0.958 5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.501 1.285 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.251 0.069 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.887 2.329 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.251 1.706 2.699 1.00 0.00 H new ATOM 284 N ARG A 17 -1.594 -1.851 5.505 1.00 0.00 N ATOM 285 CA ARG A 17 -2.701 -1.756 4.555 1.00 0.00 C ATOM 286 C ARG A 17 -3.394 -0.410 4.778 1.00 0.00 C ATOM 287 O ARG A 17 -3.416 0.103 5.908 1.00 0.00 O ATOM 288 CB ARG A 17 -3.686 -2.954 4.756 1.00 0.00 C ATOM 289 CG ARG A 17 -4.420 -2.968 6.119 1.00 0.00 C ATOM 290 CD ARG A 17 -5.095 -4.311 6.478 1.00 0.00 C ATOM 291 NE ARG A 17 -6.237 -4.662 5.610 1.00 0.00 N ATOM 292 CZ ARG A 17 -7.155 -5.609 5.899 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.122 -6.267 7.047 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.115 -5.888 5.037 1.00 0.00 N ATOM 0 H ARG A 17 -1.896 -1.839 6.479 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.339 -1.810 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.429 -2.933 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.130 -3.885 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.706 -2.715 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.179 -2.186 6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.351 -5.106 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.438 -4.268 7.512 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.339 -4.154 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.394 -6.062 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.824 -6.979 7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.165 -5.388 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.807 -6.604 5.258 1.00 0.00 H new ATOM 308 N PHE A 18 -3.939 0.168 3.709 1.00 0.00 N ATOM 309 CA PHE A 18 -4.673 1.439 3.798 1.00 0.00 C ATOM 310 C PHE A 18 -6.157 1.155 3.564 1.00 0.00 C ATOM 311 O PHE A 18 -6.536 0.449 2.614 1.00 0.00 O ATOM 312 CB PHE A 18 -4.122 2.498 2.810 1.00 0.00 C ATOM 313 CG PHE A 18 -4.725 3.895 2.956 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.946 4.452 4.217 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.048 4.654 1.837 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.479 5.713 4.346 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.578 5.917 1.965 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.796 6.448 3.219 1.00 0.00 C ATOM 0 H PHE A 18 -3.889 -0.221 2.767 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.538 1.867 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.042 2.569 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.296 2.148 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.695 3.886 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.880 4.246 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.650 6.129 5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.823 6.492 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.215 7.438 3.321 1.00 0.00 H new ATOM 328 N LYS A 19 -6.974 1.686 4.477 1.00 0.00 N ATOM 329 CA LYS A 19 -8.418 1.443 4.535 1.00 0.00 C ATOM 330 C LYS A 19 -9.191 2.603 3.885 1.00 0.00 C ATOM 331 O LYS A 19 -8.595 3.562 3.380 1.00 0.00 O ATOM 332 CB LYS A 19 -8.818 1.253 6.029 1.00 0.00 C ATOM 333 CG LYS A 19 -8.061 0.091 6.723 1.00 0.00 C ATOM 334 CD LYS A 19 -8.313 -1.268 6.015 1.00 0.00 C ATOM 335 CE LYS A 19 -9.747 -1.807 6.227 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.876 -2.544 7.510 1.00 0.00 N ATOM 0 H LYS A 19 -6.643 2.310 5.213 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.673 0.543 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.624 2.179 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.890 1.067 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.992 0.305 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.377 0.022 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.129 -1.154 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.597 -2.002 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.453 -0.977 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.013 -2.466 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.116 -3.537 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.975 -2.500 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.627 -2.112 8.085 1.00 0.00 H new ATOM 350 N ALA A 20 -10.524 2.497 3.919 1.00 0.00 N ATOM 351 CA ALA A 20 -11.449 3.528 3.414 1.00 0.00 C ATOM 352 C ALA A 20 -12.560 3.765 4.455 1.00 0.00 C ATOM 353 O ALA A 20 -12.727 2.947 5.364 1.00 0.00 O ATOM 354 CB ALA A 20 -12.019 3.117 2.053 1.00 0.00 C ATOM 0 H ALA A 20 -11.002 1.682 4.303 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.913 4.465 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.700 3.890 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.204 2.993 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.559 2.176 2.154 1.00 0.00 H new ATOM 360 N SER A 21 -13.266 4.909 4.346 1.00 0.00 N ATOM 361 CA SER A 21 -14.377 5.295 5.259 1.00 0.00 C ATOM 362 C SER A 21 -15.492 4.214 5.372 1.00 0.00 C ATOM 363 O SER A 21 -16.145 4.096 6.413 1.00 0.00 O ATOM 364 CB SER A 21 -14.985 6.642 4.801 1.00 0.00 C ATOM 365 OG SER A 21 -15.438 6.593 3.456 1.00 0.00 O ATOM 0 H SER A 21 -13.085 5.601 3.618 1.00 0.00 H new ATOM 0 HA SER A 21 -13.945 5.394 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.817 6.904 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.239 7.430 4.903 1.00 0.00 H new ATOM 0 HG SER A 21 -15.816 7.462 3.206 1.00 0.00 H new ATOM 371 N ASN A 22 -15.697 3.438 4.292 1.00 0.00 N ATOM 372 CA ASN A 22 -16.698 2.347 4.249 1.00 0.00 C ATOM 373 C ASN A 22 -16.134 1.038 4.852 1.00 0.00 C ATOM 374 O ASN A 22 -16.894 0.132 5.204 1.00 0.00 O ATOM 375 CB ASN A 22 -17.156 2.142 2.781 1.00 0.00 C ATOM 376 CG ASN A 22 -18.180 1.020 2.579 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.381 1.227 2.723 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.713 -0.171 2.227 1.00 0.00 N ATOM 0 H ASN A 22 -15.175 3.547 3.422 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.558 2.626 4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.583 3.075 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.280 1.930 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.358 -0.945 2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.709 -0.312 2.115 1.00 0.00 H new ATOM 385 N GLY A 23 -14.802 0.971 5.009 1.00 0.00 N ATOM 386 CA GLY A 23 -14.121 -0.223 5.525 1.00 0.00 C ATOM 387 C GLY A 23 -13.756 -1.207 4.431 1.00 0.00 C ATOM 388 O GLY A 23 -14.053 -2.400 4.527 1.00 0.00 O ATOM 0 H GLY A 23 -14.171 1.740 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.216 0.079 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.765 -0.717 6.253 1.00 0.00 H new ATOM 392 N GLU A 24 -13.095 -0.692 3.390 1.00 0.00 N ATOM 393 CA GLU A 24 -12.585 -1.492 2.265 1.00 0.00 C ATOM 394 C GLU A 24 -11.102 -1.164 2.068 1.00 0.00 C ATOM 395 O GLU A 24 -10.717 0.011 2.037 1.00 0.00 O ATOM 396 CB GLU A 24 -13.428 -1.230 0.980 1.00 0.00 C ATOM 397 CG GLU A 24 -13.637 0.255 0.617 1.00 0.00 C ATOM 398 CD GLU A 24 -14.683 0.469 -0.488 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.889 0.526 -0.168 1.00 0.00 O ATOM 400 OE2 GLU A 24 -14.315 0.557 -1.680 1.00 0.00 O ATOM 0 H GLU A 24 -12.895 0.304 3.301 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.678 -2.556 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.943 -1.727 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.405 -1.697 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.945 0.800 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.686 0.681 0.295 1.00 0.00 H new ATOM 407 N THR A 25 -10.270 -2.213 1.995 1.00 0.00 N ATOM 408 CA THR A 25 -8.825 -2.070 1.825 1.00 0.00 C ATOM 409 C THR A 25 -8.503 -1.948 0.336 1.00 0.00 C ATOM 410 O THR A 25 -8.944 -2.767 -0.471 1.00 0.00 O ATOM 411 CB THR A 25 -8.076 -3.291 2.431 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.478 -3.473 3.783 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.554 -3.140 2.373 1.00 0.00 C ATOM 0 H THR A 25 -10.584 -3.182 2.053 1.00 0.00 H new ATOM 0 HA THR A 25 -8.494 -1.173 2.348 1.00 0.00 H new ATOM 0 HB THR A 25 -8.341 -4.160 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.356 -3.907 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.084 -4.021 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.238 -3.037 1.335 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.255 -2.254 2.933 1.00 0.00 H new ATOM 421 N MET A 26 -7.731 -0.924 0.003 1.00 0.00 N ATOM 422 CA MET A 26 -7.395 -0.581 -1.387 1.00 0.00 C ATOM 423 C MET A 26 -5.940 -0.980 -1.736 1.00 0.00 C ATOM 424 O MET A 26 -5.595 -1.061 -2.920 1.00 0.00 O ATOM 425 CB MET A 26 -7.729 0.916 -1.655 1.00 0.00 C ATOM 426 CG MET A 26 -7.433 1.868 -0.488 1.00 0.00 C ATOM 427 SD MET A 26 -5.705 1.880 -0.029 1.00 0.00 S ATOM 428 CE MET A 26 -5.013 2.569 -1.508 1.00 0.00 C ATOM 0 H MET A 26 -7.312 -0.297 0.690 1.00 0.00 H new ATOM 0 HA MET A 26 -8.013 -1.166 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.164 1.248 -2.526 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.786 0.996 -1.910 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.739 2.878 -0.762 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.032 1.576 0.375 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.046 2.106 -1.707 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.685 2.381 -2.346 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.882 3.644 -1.382 1.00 0.00 H new ATOM 438 N PHE A 27 -5.090 -1.235 -0.711 1.00 0.00 N ATOM 439 CA PHE A 27 -3.819 -1.978 -0.898 1.00 0.00 C ATOM 440 C PHE A 27 -3.349 -2.607 0.415 1.00 0.00 C ATOM 441 O PHE A 27 -3.751 -2.208 1.509 1.00 0.00 O ATOM 442 CB PHE A 27 -2.644 -1.112 -1.498 1.00 0.00 C ATOM 443 CG PHE A 27 -1.845 -0.234 -0.497 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.279 1.029 -0.174 1.00 0.00 C ATOM 445 CD2 PHE A 27 -0.665 -0.690 0.106 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.595 1.832 0.705 1.00 0.00 C ATOM 447 CE2 PHE A 27 0.027 0.108 1.001 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.441 1.377 1.299 1.00 0.00 C ATOM 0 H PHE A 27 -5.261 -0.938 0.250 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.056 -2.751 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.945 -1.785 -1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.059 -0.460 -2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.186 1.402 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.291 -1.675 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.964 2.822 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.930 -0.258 1.466 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.097 2.005 1.993 1.00 0.00 H new ATOM 458 N SER A 28 -2.414 -3.532 0.240 1.00 0.00 N ATOM 459 CA SER A 28 -1.580 -4.078 1.304 1.00 0.00 C ATOM 460 C SER A 28 -0.157 -4.168 0.758 1.00 0.00 C ATOM 461 O SER A 28 0.038 -4.373 -0.455 1.00 0.00 O ATOM 462 CB SER A 28 -2.092 -5.447 1.786 1.00 0.00 C ATOM 463 OG SER A 28 -1.328 -5.919 2.884 1.00 0.00 O ATOM 0 H SER A 28 -2.209 -3.936 -0.674 1.00 0.00 H new ATOM 0 HA SER A 28 -1.611 -3.429 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.140 -5.366 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.042 -6.166 0.968 1.00 0.00 H new ATOM 0 HG SER A 28 -1.834 -6.609 3.362 1.00 0.00 H new ATOM 469 N SER A 29 0.836 -3.983 1.636 1.00 0.00 N ATOM 470 CA SER A 29 2.250 -3.975 1.239 1.00 0.00 C ATOM 471 C SER A 29 2.744 -5.422 1.037 1.00 0.00 C ATOM 472 O SER A 29 2.112 -6.376 1.513 1.00 0.00 O ATOM 473 CB SER A 29 3.089 -3.241 2.314 1.00 0.00 C ATOM 474 OG SER A 29 2.591 -1.931 2.540 1.00 0.00 O ATOM 0 H SER A 29 0.685 -3.836 2.634 1.00 0.00 H new ATOM 0 HA SER A 29 2.364 -3.443 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.069 -3.807 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.130 -3.188 1.995 1.00 0.00 H new ATOM 0 HG SER A 29 1.738 -1.984 3.020 1.00 0.00 H new ATOM 480 N GLU A 30 3.858 -5.566 0.312 1.00 0.00 N ATOM 481 CA GLU A 30 4.552 -6.855 0.124 1.00 0.00 C ATOM 482 C GLU A 30 5.065 -7.414 1.477 1.00 0.00 C ATOM 483 O GLU A 30 5.066 -8.626 1.720 1.00 0.00 O ATOM 484 CB GLU A 30 5.742 -6.673 -0.873 1.00 0.00 C ATOM 485 CG GLU A 30 6.995 -5.873 -0.362 1.00 0.00 C ATOM 486 CD GLU A 30 6.808 -4.348 -0.118 1.00 0.00 C ATOM 487 OE1 GLU A 30 6.141 -3.955 0.862 1.00 0.00 O ATOM 488 OE2 GLU A 30 7.371 -3.534 -0.877 1.00 0.00 O ATOM 0 H GLU A 30 4.311 -4.788 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 30 3.843 -7.573 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.077 -7.663 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.362 -6.172 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.329 -6.327 0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.799 -6.004 -1.086 1.00 0.00 H new ATOM 495 N GLY A 31 5.447 -6.482 2.356 1.00 0.00 N ATOM 496 CA GLY A 31 6.121 -6.783 3.616 1.00 0.00 C ATOM 497 C GLY A 31 7.526 -6.226 3.617 1.00 0.00 C ATOM 498 O GLY A 31 8.492 -6.974 3.786 1.00 0.00 O ATOM 0 H GLY A 31 5.293 -5.485 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.556 -6.360 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.152 -7.862 3.769 1.00 0.00 H new ATOM 502 N TYR A 32 7.592 -4.918 3.278 1.00 0.00 N ATOM 503 CA TYR A 32 8.817 -4.085 3.164 1.00 0.00 C ATOM 504 C TYR A 32 10.098 -4.634 3.834 1.00 0.00 C ATOM 505 O TYR A 32 11.053 -4.977 3.122 1.00 0.00 O ATOM 506 CB TYR A 32 8.500 -2.635 3.612 1.00 0.00 C ATOM 507 CG TYR A 32 9.641 -1.624 3.395 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.181 -1.407 2.122 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.186 -0.906 4.456 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.211 -0.503 1.924 1.00 0.00 C ATOM 511 CE2 TYR A 32 11.214 -0.003 4.259 1.00 0.00 C ATOM 512 CZ TYR A 32 11.727 0.189 2.996 1.00 0.00 C ATOM 513 OH TYR A 32 12.760 1.083 2.806 1.00 0.00 O ATOM 0 H TYR A 32 6.749 -4.385 3.065 1.00 0.00 H new ATOM 0 HA TYR A 32 9.082 -4.111 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.619 -2.288 3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.241 -2.646 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.787 -1.955 1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.798 -1.057 5.452 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.608 -0.342 0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.614 0.551 5.095 1.00 0.00 H new ATOM 0 HH TYR A 32 13.005 1.487 3.665 1.00 0.00 H new ATOM 523 N LYS A 33 10.112 -4.740 5.175 1.00 0.00 N ATOM 524 CA LYS A 33 11.313 -5.204 5.907 1.00 0.00 C ATOM 525 C LYS A 33 10.963 -5.623 7.345 1.00 0.00 C ATOM 526 O LYS A 33 11.039 -6.804 7.699 1.00 0.00 O ATOM 527 CB LYS A 33 12.406 -4.091 5.917 1.00 0.00 C ATOM 528 CG LYS A 33 13.744 -4.493 6.581 1.00 0.00 C ATOM 529 CD LYS A 33 14.488 -5.621 5.823 1.00 0.00 C ATOM 530 CE LYS A 33 14.897 -5.203 4.398 1.00 0.00 C ATOM 531 NZ LYS A 33 15.678 -6.255 3.699 1.00 0.00 N ATOM 0 H LYS A 33 9.316 -4.514 5.772 1.00 0.00 H new ATOM 0 HA LYS A 33 11.705 -6.079 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.605 -3.789 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.009 -3.218 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.390 -3.617 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.551 -4.817 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.378 -5.906 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.849 -6.502 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.002 -4.974 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.488 -4.288 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.929 -5.925 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.546 -6.457 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.107 -7.121 3.627 1.00 0.00 H new ATOM 545 N ALA A 34 10.562 -4.638 8.158 1.00 0.00 N ATOM 546 CA ALA A 34 10.319 -4.818 9.605 1.00 0.00 C ATOM 547 C ALA A 34 9.227 -3.848 10.059 1.00 0.00 C ATOM 548 O ALA A 34 8.751 -3.045 9.247 1.00 0.00 O ATOM 549 CB ALA A 34 11.625 -4.597 10.386 1.00 0.00 C ATOM 0 H ALA A 34 10.394 -3.686 7.834 1.00 0.00 H new ATOM 0 HA ALA A 34 9.980 -5.835 9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.439 -4.731 11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.373 -5.317 10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.990 -3.586 10.206 1.00 0.00 H new ATOM 555 N LYS A 35 8.815 -3.919 11.343 1.00 0.00 N ATOM 556 CA LYS A 35 7.761 -3.051 11.901 1.00 0.00 C ATOM 557 C LYS A 35 8.232 -1.593 11.898 1.00 0.00 C ATOM 558 O LYS A 35 7.527 -0.715 11.412 1.00 0.00 O ATOM 559 CB LYS A 35 7.396 -3.560 13.335 1.00 0.00 C ATOM 560 CG LYS A 35 6.378 -2.709 14.148 1.00 0.00 C ATOM 561 CD LYS A 35 7.041 -1.623 15.039 1.00 0.00 C ATOM 562 CE LYS A 35 6.023 -0.835 15.879 1.00 0.00 C ATOM 563 NZ LYS A 35 6.663 0.237 16.684 1.00 0.00 N ATOM 0 H LYS A 35 9.203 -4.578 12.018 1.00 0.00 H new ATOM 0 HA LYS A 35 6.860 -3.094 11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.997 -4.570 13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.317 -3.631 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.687 -2.227 13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.786 -3.372 14.779 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.764 -2.097 15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.596 -0.930 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.276 -0.394 15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.497 -1.520 16.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.937 0.740 17.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.358 -0.184 17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.144 0.907 16.050 1.00 0.00 H new ATOM 577 N ALA A 36 9.452 -1.361 12.424 1.00 0.00 N ATOM 578 CA ALA A 36 10.092 -0.024 12.438 1.00 0.00 C ATOM 579 C ALA A 36 10.161 0.570 11.018 1.00 0.00 C ATOM 580 O ALA A 36 9.860 1.750 10.809 1.00 0.00 O ATOM 581 CB ALA A 36 11.496 -0.115 13.061 1.00 0.00 C ATOM 0 H ALA A 36 10.022 -2.091 12.851 1.00 0.00 H new ATOM 0 HA ALA A 36 9.483 0.643 13.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.957 0.873 13.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.417 -0.484 14.084 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.110 -0.799 12.475 1.00 0.00 H new ATOM 587 N SER A 37 10.512 -0.293 10.050 1.00 0.00 N ATOM 588 CA SER A 37 10.590 0.065 8.627 1.00 0.00 C ATOM 589 C SER A 37 9.195 0.335 8.027 1.00 0.00 C ATOM 590 O SER A 37 9.069 1.123 7.086 1.00 0.00 O ATOM 591 CB SER A 37 11.285 -1.070 7.858 1.00 0.00 C ATOM 592 OG SER A 37 12.566 -1.348 8.393 1.00 0.00 O ATOM 0 H SER A 37 10.751 -1.267 10.237 1.00 0.00 H new ATOM 0 HA SER A 37 11.167 0.986 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.670 -1.969 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.380 -0.795 6.808 1.00 0.00 H new ATOM 0 HG SER A 37 13.103 -1.824 7.726 1.00 0.00 H new ATOM 598 N ALA A 38 8.160 -0.341 8.576 1.00 0.00 N ATOM 599 CA ALA A 38 6.767 -0.193 8.118 1.00 0.00 C ATOM 600 C ALA A 38 6.228 1.204 8.469 1.00 0.00 C ATOM 601 O ALA A 38 5.651 1.865 7.608 1.00 0.00 O ATOM 602 CB ALA A 38 5.869 -1.304 8.698 1.00 0.00 C ATOM 0 H ALA A 38 8.270 -1.001 9.346 1.00 0.00 H new ATOM 0 HA ALA A 38 6.752 -0.297 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.847 -1.169 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.240 -2.277 8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.884 -1.253 9.787 1.00 0.00 H new ATOM 608 N ILE A 39 6.423 1.646 9.740 1.00 0.00 N ATOM 609 CA ILE A 39 6.077 3.022 10.178 1.00 0.00 C ATOM 610 C ILE A 39 6.837 4.067 9.339 1.00 0.00 C ATOM 611 O ILE A 39 6.229 5.021 8.866 1.00 0.00 O ATOM 612 CB ILE A 39 6.349 3.276 11.729 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.308 2.537 12.637 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.352 4.794 12.080 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.399 1.028 12.665 1.00 0.00 C ATOM 0 H ILE A 39 6.819 1.066 10.480 1.00 0.00 H new ATOM 0 HA ILE A 39 5.004 3.129 10.019 1.00 0.00 H new ATOM 0 HB ILE A 39 7.340 2.868 11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.420 2.906 13.657 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.307 2.814 12.306 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.541 4.921 13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.133 5.298 11.511 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.384 5.227 11.829 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.630 0.629 13.326 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.252 0.636 11.659 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.382 0.729 13.030 1.00 0.00 H new ATOM 627 N HIS A 40 8.161 3.858 9.161 1.00 0.00 N ATOM 628 CA HIS A 40 9.036 4.757 8.358 1.00 0.00 C ATOM 629 C HIS A 40 8.498 4.936 6.929 1.00 0.00 C ATOM 630 O HIS A 40 8.507 6.053 6.366 1.00 0.00 O ATOM 631 CB HIS A 40 10.497 4.218 8.325 1.00 0.00 C ATOM 632 CG HIS A 40 11.338 4.627 9.500 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.610 5.136 9.369 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.082 4.609 10.827 1.00 0.00 C ATOM 635 CE1 HIS A 40 13.094 5.418 10.556 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.190 5.108 11.457 1.00 0.00 N ATOM 0 H HIS A 40 8.657 3.064 9.567 1.00 0.00 H new ATOM 0 HA HIS A 40 9.035 5.734 8.841 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.468 3.129 8.276 1.00 0.00 H new ATOM 0 HB3 HIS A 40 10.979 4.566 7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.174 4.266 11.301 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.070 5.834 10.758 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.297 5.221 12.465 1.00 0.00 H new ATOM 645 N ALA A 41 8.003 3.829 6.364 1.00 0.00 N ATOM 646 CA ALA A 41 7.345 3.823 5.069 1.00 0.00 C ATOM 647 C ALA A 41 6.079 4.695 5.120 1.00 0.00 C ATOM 648 O ALA A 41 5.933 5.620 4.338 1.00 0.00 O ATOM 649 CB ALA A 41 7.036 2.375 4.654 1.00 0.00 C ATOM 0 H ALA A 41 8.052 2.909 6.802 1.00 0.00 H new ATOM 0 HA ALA A 41 8.004 4.251 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.542 2.372 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.965 1.809 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.381 1.916 5.395 1.00 0.00 H new ATOM 655 N ILE A 42 5.209 4.446 6.103 1.00 0.00 N ATOM 656 CA ILE A 42 3.981 5.245 6.301 1.00 0.00 C ATOM 657 C ILE A 42 4.300 6.736 6.529 1.00 0.00 C ATOM 658 O ILE A 42 3.514 7.607 6.147 1.00 0.00 O ATOM 659 CB ILE A 42 3.131 4.693 7.488 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.788 3.201 7.230 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.839 5.530 7.698 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.281 2.467 8.433 1.00 0.00 C ATOM 0 H ILE A 42 5.328 3.694 6.782 1.00 0.00 H new ATOM 0 HA ILE A 42 3.398 5.159 5.384 1.00 0.00 H new ATOM 0 HB ILE A 42 3.718 4.772 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.038 3.144 6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.679 2.695 6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.270 5.119 8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.107 6.564 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.232 5.496 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.066 1.433 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.037 2.488 9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.370 2.945 8.794 1.00 0.00 H new ATOM 674 N GLU A 43 5.490 7.023 7.086 1.00 0.00 N ATOM 675 CA GLU A 43 5.921 8.401 7.350 1.00 0.00 C ATOM 676 C GLU A 43 6.119 9.151 6.027 1.00 0.00 C ATOM 677 O GLU A 43 5.835 10.343 5.963 1.00 0.00 O ATOM 678 CB GLU A 43 7.209 8.462 8.213 1.00 0.00 C ATOM 679 CG GLU A 43 7.048 7.985 9.671 1.00 0.00 C ATOM 680 CD GLU A 43 8.324 8.160 10.507 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.710 9.321 10.767 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.969 7.156 10.880 1.00 0.00 O ATOM 0 H GLU A 43 6.170 6.314 7.362 1.00 0.00 H new ATOM 0 HA GLU A 43 5.133 8.887 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.978 7.856 7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.572 9.490 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.235 8.539 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.761 6.934 9.673 1.00 0.00 H new ATOM 689 N SER A 44 6.571 8.421 4.972 1.00 0.00 N ATOM 690 CA SER A 44 6.612 8.946 3.586 1.00 0.00 C ATOM 691 C SER A 44 5.230 9.413 3.116 1.00 0.00 C ATOM 692 O SER A 44 5.118 10.431 2.415 1.00 0.00 O ATOM 693 CB SER A 44 7.133 7.869 2.607 1.00 0.00 C ATOM 694 OG SER A 44 8.547 7.747 2.665 1.00 0.00 O ATOM 0 H SER A 44 6.913 7.464 5.059 1.00 0.00 H new ATOM 0 HA SER A 44 7.290 9.800 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.675 6.909 2.844 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.831 8.124 1.591 1.00 0.00 H new ATOM 0 HG SER A 44 8.912 7.735 1.756 1.00 0.00 H new ATOM 700 N ILE A 45 4.185 8.650 3.494 1.00 0.00 N ATOM 701 CA ILE A 45 2.820 8.931 3.047 1.00 0.00 C ATOM 702 C ILE A 45 2.343 10.254 3.673 1.00 0.00 C ATOM 703 O ILE A 45 1.740 11.098 3.004 1.00 0.00 O ATOM 704 CB ILE A 45 1.774 7.782 3.380 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.386 6.350 3.275 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.591 7.883 2.401 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.715 5.887 1.874 1.00 0.00 C ATOM 0 H ILE A 45 4.267 7.838 4.106 1.00 0.00 H new ATOM 0 HA ILE A 45 2.862 8.997 1.960 1.00 0.00 H new ATOM 0 HB ILE A 45 1.456 7.928 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.296 6.318 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.687 5.641 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.132 7.098 2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.113 8.857 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.953 7.766 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.134 4.881 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.807 5.879 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.441 6.566 1.428 1.00 0.00 H new ATOM 719 N LYS A 46 2.677 10.432 4.967 1.00 0.00 N ATOM 720 CA LYS A 46 2.253 11.603 5.773 1.00 0.00 C ATOM 721 C LYS A 46 2.843 12.923 5.262 1.00 0.00 C ATOM 722 O LYS A 46 2.279 13.999 5.493 1.00 0.00 O ATOM 723 CB LYS A 46 2.626 11.417 7.284 1.00 0.00 C ATOM 724 CG LYS A 46 2.367 10.006 7.889 1.00 0.00 C ATOM 725 CD LYS A 46 0.984 9.418 7.514 1.00 0.00 C ATOM 726 CE LYS A 46 -0.173 10.344 7.887 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.403 10.399 9.342 1.00 0.00 N ATOM 0 H LYS A 46 3.250 9.768 5.487 1.00 0.00 H new ATOM 0 HA LYS A 46 1.169 11.659 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.683 11.654 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.066 12.148 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.147 9.325 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.446 10.065 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.956 9.222 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.853 8.460 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.035 11.348 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.082 10.003 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.252 9.848 9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.419 10.001 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.539 11.388 9.635 1.00 0.00 H new ATOM 741 N ARG A 47 3.980 12.805 4.578 1.00 0.00 N ATOM 742 CA ARG A 47 4.761 13.958 4.078 1.00 0.00 C ATOM 743 C ARG A 47 3.977 14.771 3.027 1.00 0.00 C ATOM 744 O ARG A 47 3.784 15.983 3.190 1.00 0.00 O ATOM 745 CB ARG A 47 6.118 13.491 3.469 1.00 0.00 C ATOM 746 CG ARG A 47 7.025 12.695 4.423 1.00 0.00 C ATOM 747 CD ARG A 47 7.373 13.446 5.716 1.00 0.00 C ATOM 748 NE ARG A 47 7.985 12.558 6.720 1.00 0.00 N ATOM 749 CZ ARG A 47 7.849 12.684 8.052 1.00 0.00 C ATOM 750 NH1 ARG A 47 7.149 13.690 8.572 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.418 11.796 8.858 1.00 0.00 N ATOM 0 H ARG A 47 4.397 11.903 4.348 1.00 0.00 H new ATOM 0 HA ARG A 47 4.954 14.603 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.912 12.877 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.664 14.369 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.533 11.757 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.948 12.439 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.058 14.263 5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.470 13.894 6.130 1.00 0.00 H new ATOM 0 HE ARG A 47 8.557 11.786 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.709 14.376 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.053 13.775 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.955 11.023 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.318 11.887 9.869 1.00 0.00 H new ATOM 765 N ASN A 48 3.502 14.079 1.973 1.00 0.00 N ATOM 766 CA ASN A 48 2.920 14.754 0.782 1.00 0.00 C ATOM 767 C ASN A 48 2.291 13.754 -0.211 1.00 0.00 C ATOM 768 O ASN A 48 2.043 14.101 -1.356 1.00 0.00 O ATOM 769 CB ASN A 48 3.994 15.655 0.081 1.00 0.00 C ATOM 770 CG ASN A 48 3.416 16.677 -0.905 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.353 16.444 -2.113 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.976 17.810 -0.383 1.00 0.00 N ATOM 0 H ASN A 48 3.507 13.061 1.916 1.00 0.00 H new ATOM 0 HA ASN A 48 2.109 15.392 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.560 16.186 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.698 15.014 -0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.568 18.525 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.044 17.969 0.622 1.00 0.00 H new ATOM 779 N SER A 49 2.010 12.519 0.225 1.00 0.00 N ATOM 780 CA SER A 49 1.500 11.465 -0.684 1.00 0.00 C ATOM 781 C SER A 49 0.102 11.790 -1.252 1.00 0.00 C ATOM 782 O SER A 49 -0.218 11.404 -2.381 1.00 0.00 O ATOM 783 CB SER A 49 1.466 10.130 0.028 1.00 0.00 C ATOM 784 OG SER A 49 1.175 9.065 -0.847 1.00 0.00 O ATOM 0 H SER A 49 2.124 12.219 1.193 1.00 0.00 H new ATOM 0 HA SER A 49 2.189 11.418 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.429 9.951 0.507 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.717 10.162 0.820 1.00 0.00 H new ATOM 0 HG SER A 49 1.997 8.776 -1.295 1.00 0.00 H new ATOM 790 N ALA A 50 -0.723 12.500 -0.461 1.00 0.00 N ATOM 791 CA ALA A 50 -2.023 13.016 -0.925 1.00 0.00 C ATOM 792 C ALA A 50 -1.867 14.100 -2.024 1.00 0.00 C ATOM 793 O ALA A 50 -2.818 14.385 -2.762 1.00 0.00 O ATOM 794 CB ALA A 50 -2.843 13.532 0.266 1.00 0.00 C ATOM 0 H ALA A 50 -0.510 12.730 0.509 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.564 12.190 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.801 13.911 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.013 12.718 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.297 14.334 0.763 1.00 0.00 H new ATOM 800 N GLY A 51 -0.663 14.698 -2.110 1.00 0.00 N ATOM 801 CA GLY A 51 -0.301 15.630 -3.190 1.00 0.00 C ATOM 802 C GLY A 51 0.698 15.039 -4.195 1.00 0.00 C ATOM 803 O GLY A 51 1.032 15.691 -5.189 1.00 0.00 O ATOM 0 H GLY A 51 0.084 14.547 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.205 15.929 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.125 16.533 -2.753 1.00 0.00 H new ATOM 807 N ALA A 52 1.184 13.807 -3.927 1.00 0.00 N ATOM 808 CA ALA A 52 2.144 13.089 -4.800 1.00 0.00 C ATOM 809 C ALA A 52 1.492 12.695 -6.129 1.00 0.00 C ATOM 810 O ALA A 52 0.357 12.246 -6.144 1.00 0.00 O ATOM 811 CB ALA A 52 2.673 11.837 -4.091 1.00 0.00 C ATOM 0 H ALA A 52 0.921 13.279 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 52 2.975 13.762 -5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.377 11.320 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.178 12.127 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.841 11.173 -3.856 1.00 0.00 H new ATOM 817 N ASP A 53 2.230 12.827 -7.235 1.00 0.00 N ATOM 818 CA ASP A 53 1.697 12.571 -8.587 1.00 0.00 C ATOM 819 C ASP A 53 1.447 11.057 -8.814 1.00 0.00 C ATOM 820 O ASP A 53 1.934 10.217 -8.054 1.00 0.00 O ATOM 821 CB ASP A 53 2.657 13.174 -9.649 1.00 0.00 C ATOM 822 CG ASP A 53 2.132 13.054 -11.086 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.066 13.635 -11.392 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.763 12.376 -11.908 1.00 0.00 O ATOM 0 H ASP A 53 3.209 13.113 -7.225 1.00 0.00 H new ATOM 0 HA ASP A 53 0.729 13.061 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.826 14.226 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.623 12.673 -9.580 1.00 0.00 H new ATOM 829 N THR A 54 0.618 10.724 -9.806 1.00 0.00 N ATOM 830 CA THR A 54 0.307 9.329 -10.163 1.00 0.00 C ATOM 831 C THR A 54 0.775 9.023 -11.609 1.00 0.00 C ATOM 832 O THR A 54 0.128 9.423 -12.582 1.00 0.00 O ATOM 833 CB THR A 54 -1.228 9.096 -9.968 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.583 9.451 -8.620 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.671 7.649 -10.229 1.00 0.00 C ATOM 0 H THR A 54 0.140 11.412 -10.388 1.00 0.00 H new ATOM 0 HA THR A 54 0.845 8.639 -9.513 1.00 0.00 H new ATOM 0 HB THR A 54 -1.737 9.720 -10.702 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.544 9.311 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.747 7.564 -10.074 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.429 7.374 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.152 6.980 -9.543 1.00 0.00 H new ATOM 843 N VAL A 55 1.947 8.362 -11.718 1.00 0.00 N ATOM 844 CA VAL A 55 2.583 7.975 -13.000 1.00 0.00 C ATOM 845 C VAL A 55 2.323 6.488 -13.281 1.00 0.00 C ATOM 846 O VAL A 55 2.681 5.639 -12.465 1.00 0.00 O ATOM 847 CB VAL A 55 4.138 8.216 -12.940 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.847 7.790 -14.250 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.452 9.682 -12.583 1.00 0.00 C ATOM 0 H VAL A 55 2.490 8.076 -10.903 1.00 0.00 H new ATOM 0 HA VAL A 55 2.154 8.586 -13.794 1.00 0.00 H new ATOM 0 HB VAL A 55 4.534 7.580 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.917 7.975 -14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.676 6.728 -14.428 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.447 8.367 -15.084 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.532 9.824 -12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.024 10.340 -13.339 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.022 9.920 -11.610 1.00 0.00 H new ATOM 859 N ASP A 56 1.706 6.177 -14.433 1.00 0.00 N ATOM 860 CA ASP A 56 1.435 4.781 -14.829 1.00 0.00 C ATOM 861 C ASP A 56 2.480 4.284 -15.853 1.00 0.00 C ATOM 862 O ASP A 56 2.516 4.754 -16.999 1.00 0.00 O ATOM 863 CB ASP A 56 -0.002 4.636 -15.393 1.00 0.00 C ATOM 864 CG ASP A 56 -0.505 3.178 -15.379 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.198 2.281 -15.891 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.609 2.919 -14.876 1.00 0.00 O ATOM 0 H ASP A 56 1.385 6.872 -15.107 1.00 0.00 H new ATOM 0 HA ASP A 56 1.514 4.158 -13.938 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.681 5.256 -14.808 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.026 5.014 -16.415 1.00 0.00 H new ATOM 871 N LEU A 57 3.310 3.325 -15.418 1.00 0.00 N ATOM 872 CA LEU A 57 4.335 2.681 -16.256 1.00 0.00 C ATOM 873 C LEU A 57 3.736 1.562 -17.148 1.00 0.00 C ATOM 874 O LEU A 57 4.182 1.371 -18.282 1.00 0.00 O ATOM 875 CB LEU A 57 5.439 2.066 -15.357 1.00 0.00 C ATOM 876 CG LEU A 57 6.012 2.957 -14.211 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.053 2.166 -13.395 1.00 0.00 C ATOM 878 CD2 LEU A 57 6.599 4.288 -14.744 1.00 0.00 C ATOM 0 H LEU A 57 3.289 2.969 -14.462 1.00 0.00 H new ATOM 0 HA LEU A 57 4.754 3.450 -16.905 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.040 1.156 -14.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.268 1.768 -15.998 1.00 0.00 H new ATOM 0 HG LEU A 57 5.187 3.227 -13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.446 2.797 -12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.581 1.285 -12.961 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.869 1.856 -14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.986 4.875 -13.911 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.407 4.075 -15.444 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.818 4.852 -15.253 1.00 0.00 H new ATOM 890 N THR A 58 2.689 0.854 -16.653 1.00 0.00 N ATOM 891 CA THR A 58 2.216 -0.420 -17.266 1.00 0.00 C ATOM 892 C THR A 58 1.159 -0.155 -18.355 1.00 0.00 C ATOM 893 O THR A 58 0.712 -1.082 -19.042 1.00 0.00 O ATOM 894 CB THR A 58 1.660 -1.417 -16.179 1.00 0.00 C ATOM 895 OG1 THR A 58 1.407 -2.716 -16.750 1.00 0.00 O ATOM 896 CG2 THR A 58 0.384 -0.915 -15.471 1.00 0.00 C ATOM 0 H THR A 58 2.155 1.141 -15.833 1.00 0.00 H new ATOM 0 HA THR A 58 3.079 -0.891 -17.737 1.00 0.00 H new ATOM 0 HB THR A 58 2.443 -1.485 -15.424 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.099 -2.613 -17.675 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.061 -1.653 -14.737 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.594 0.029 -14.968 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.406 -0.765 -16.207 1.00 0.00 H new ATOM 904 N THR A 59 0.790 1.123 -18.520 1.00 0.00 N ATOM 905 CA THR A 59 -0.140 1.565 -19.550 1.00 0.00 C ATOM 906 C THR A 59 0.664 1.917 -20.815 1.00 0.00 C ATOM 907 O THR A 59 1.233 3.012 -20.941 1.00 0.00 O ATOM 908 CB THR A 59 -0.999 2.751 -19.019 1.00 0.00 C ATOM 909 OG1 THR A 59 -1.875 2.267 -17.995 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.832 3.448 -20.091 1.00 0.00 C ATOM 0 H THR A 59 1.137 1.881 -17.932 1.00 0.00 H new ATOM 0 HA THR A 59 -0.842 0.774 -19.811 1.00 0.00 H new ATOM 0 HB THR A 59 -0.298 3.494 -18.639 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.226 1.389 -18.253 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.400 4.261 -19.639 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.172 3.850 -20.860 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.519 2.731 -20.541 1.00 0.00 H new ATOM 961 N MET B 1 8.962 15.690 -8.240 1.00 0.00 N ATOM 962 CA MET B 1 8.776 15.200 -6.847 1.00 0.00 C ATOM 963 C MET B 1 8.420 13.700 -6.871 1.00 0.00 C ATOM 964 O MET B 1 8.191 13.133 -7.950 1.00 0.00 O ATOM 965 CB MET B 1 7.676 16.054 -6.132 1.00 0.00 C ATOM 966 CG MET B 1 7.609 15.892 -4.606 1.00 0.00 C ATOM 967 SD MET B 1 6.486 17.064 -3.816 1.00 0.00 S ATOM 968 CE MET B 1 6.894 16.821 -2.087 1.00 0.00 C ATOM 0 H1 MET B 1 9.943 16.010 -8.367 1.00 0.00 H new ATOM 0 H2 MET B 1 8.759 14.920 -8.909 1.00 0.00 H new ATOM 0 H3 MET B 1 8.314 16.483 -8.418 1.00 0.00 H new ATOM 0 HA MET B 1 9.701 15.312 -6.281 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.849 17.105 -6.362 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.705 15.791 -6.552 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.291 14.877 -4.368 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.608 16.019 -4.189 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.648 17.722 -1.525 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.323 15.980 -1.693 1.00 0.00 H new ATOM 0 HE3 MET B 1 7.960 16.613 -1.990 1.00 0.00 H new ATOM 978 N TYR B 2 8.408 13.048 -5.685 1.00 0.00 N ATOM 979 CA TYR B 2 8.038 11.629 -5.564 1.00 0.00 C ATOM 980 C TYR B 2 6.568 11.391 -5.935 1.00 0.00 C ATOM 981 O TYR B 2 5.730 12.303 -5.850 1.00 0.00 O ATOM 982 CB TYR B 2 8.373 11.063 -4.163 1.00 0.00 C ATOM 983 CG TYR B 2 7.913 11.899 -2.955 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.570 11.973 -2.579 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.835 12.592 -2.175 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.172 12.700 -1.476 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.442 13.322 -1.077 1.00 0.00 C ATOM 988 CZ TYR B 2 7.113 13.373 -0.729 1.00 0.00 C ATOM 989 OH TYR B 2 6.728 14.096 0.373 1.00 0.00 O ATOM 0 H TYR B 2 8.652 13.489 -4.798 1.00 0.00 H new ATOM 0 HA TYR B 2 8.645 11.080 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.928 10.071 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.453 10.934 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.828 11.450 -3.164 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.882 12.556 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.129 12.741 -1.200 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.176 13.854 -0.490 1.00 0.00 H new ATOM 0 HH TYR B 2 7.516 14.507 0.786 1.00 0.00 H new ATOM 999 N LYS B 3 6.272 10.138 -6.294 1.00 0.00 N ATOM 1000 CA LYS B 3 5.025 9.779 -6.966 1.00 0.00 C ATOM 1001 C LYS B 3 4.767 8.265 -6.902 1.00 0.00 C ATOM 1002 O LYS B 3 5.571 7.497 -6.345 1.00 0.00 O ATOM 1003 CB LYS B 3 5.020 10.333 -8.440 1.00 0.00 C ATOM 1004 CG LYS B 3 6.315 10.156 -9.277 1.00 0.00 C ATOM 1005 CD LYS B 3 6.654 8.691 -9.635 1.00 0.00 C ATOM 1006 CE LYS B 3 7.788 8.592 -10.665 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.022 9.269 -10.212 1.00 0.00 N ATOM 0 H LYS B 3 6.892 9.346 -6.126 1.00 0.00 H new ATOM 0 HA LYS B 3 4.196 10.250 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.204 9.851 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.789 11.398 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.217 10.728 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.151 10.584 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.940 8.155 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.764 8.200 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.005 7.542 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.460 9.033 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.791 9.075 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.857 10.295 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.287 8.915 -9.271 1.00 0.00 H new ATOM 1021 N PHE B 4 3.633 7.868 -7.491 1.00 0.00 N ATOM 1022 CA PHE B 4 3.181 6.478 -7.576 1.00 0.00 C ATOM 1023 C PHE B 4 3.507 5.921 -8.964 1.00 0.00 C ATOM 1024 O PHE B 4 2.975 6.398 -9.964 1.00 0.00 O ATOM 1025 CB PHE B 4 1.657 6.404 -7.298 1.00 0.00 C ATOM 1026 CG PHE B 4 1.295 6.692 -5.842 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.351 5.662 -4.904 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.906 7.971 -5.400 1.00 0.00 C ATOM 1029 CE1 PHE B 4 1.047 5.888 -3.582 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.601 8.187 -4.074 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.669 7.144 -3.170 1.00 0.00 C ATOM 0 H PHE B 4 2.989 8.524 -7.933 1.00 0.00 H new ATOM 0 HA PHE B 4 3.697 5.877 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.142 7.117 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.293 5.412 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.638 4.670 -5.221 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.846 8.787 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE B 4 1.105 5.080 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.309 9.172 -3.741 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.423 7.317 -2.133 1.00 0.00 H new ATOM 1041 N GLU B 5 4.402 4.931 -9.005 1.00 0.00 N ATOM 1042 CA GLU B 5 4.764 4.221 -10.235 1.00 0.00 C ATOM 1043 C GLU B 5 3.908 2.958 -10.340 1.00 0.00 C ATOM 1044 O GLU B 5 4.087 2.016 -9.557 1.00 0.00 O ATOM 1045 CB GLU B 5 6.277 3.884 -10.250 1.00 0.00 C ATOM 1046 CG GLU B 5 7.173 5.121 -10.310 1.00 0.00 C ATOM 1047 CD GLU B 5 8.632 4.813 -10.667 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.969 4.775 -11.863 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.449 4.588 -9.757 1.00 0.00 O ATOM 0 H GLU B 5 4.900 4.597 -8.180 1.00 0.00 H new ATOM 0 HA GLU B 5 4.572 4.856 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.523 3.309 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.491 3.247 -11.108 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.768 5.816 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.144 5.626 -9.345 1.00 0.00 H new ATOM 1056 N ILE B 6 2.963 2.965 -11.296 1.00 0.00 N ATOM 1057 CA ILE B 6 1.985 1.888 -11.482 1.00 0.00 C ATOM 1058 C ILE B 6 2.530 0.917 -12.515 1.00 0.00 C ATOM 1059 O ILE B 6 2.658 1.259 -13.688 1.00 0.00 O ATOM 1060 CB ILE B 6 0.608 2.426 -11.991 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.133 3.607 -11.106 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.461 1.290 -12.062 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.012 4.400 -11.695 1.00 0.00 C ATOM 0 H ILE B 6 2.859 3.727 -11.966 1.00 0.00 H new ATOM 0 HA ILE B 6 1.826 1.406 -10.517 1.00 0.00 H new ATOM 0 HB ILE B 6 0.740 2.796 -13.008 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.171 3.219 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.974 4.278 -10.933 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.405 1.701 -12.420 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.121 0.513 -12.746 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.604 0.863 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.284 5.207 -11.015 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.708 4.821 -12.654 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.871 3.745 -11.842 1.00 0.00 H new ATOM 1075 N TYR B 7 2.832 -0.277 -12.080 1.00 0.00 N ATOM 1076 CA TYR B 7 3.407 -1.307 -12.933 1.00 0.00 C ATOM 1077 C TYR B 7 2.715 -2.627 -12.625 1.00 0.00 C ATOM 1078 O TYR B 7 2.132 -2.782 -11.558 1.00 0.00 O ATOM 1079 CB TYR B 7 4.935 -1.393 -12.692 1.00 0.00 C ATOM 1080 CG TYR B 7 5.296 -1.888 -11.277 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.224 -1.025 -10.179 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.639 -3.224 -11.032 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.477 -1.473 -8.904 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.903 -3.668 -9.753 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.814 -2.789 -8.697 1.00 0.00 C ATOM 1086 OH TYR B 7 6.052 -3.231 -7.425 1.00 0.00 O ATOM 0 H TYR B 7 2.688 -0.575 -11.115 1.00 0.00 H new ATOM 0 HA TYR B 7 3.255 -1.067 -13.985 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.376 -2.064 -13.429 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.378 -0.410 -12.851 1.00 0.00 H new ATOM 0 HD1 TYR B 7 4.965 0.012 -10.335 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.698 -3.917 -11.858 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.411 -0.793 -8.068 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.178 -4.698 -9.581 1.00 0.00 H new ATOM 0 HH TYR B 7 6.277 -4.185 -7.447 1.00 0.00 H new ATOM 1096 N GLN B 8 2.827 -3.589 -13.532 1.00 0.00 N ATOM 1097 CA GLN B 8 2.371 -4.957 -13.262 1.00 0.00 C ATOM 1098 C GLN B 8 3.626 -5.793 -13.002 1.00 0.00 C ATOM 1099 O GLN B 8 4.693 -5.535 -13.588 1.00 0.00 O ATOM 1100 CB GLN B 8 1.488 -5.544 -14.409 1.00 0.00 C ATOM 1101 CG GLN B 8 2.223 -6.182 -15.597 1.00 0.00 C ATOM 1102 CD GLN B 8 1.325 -6.375 -16.824 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.585 -7.472 -16.858 1.00 0.00 O flip ATOM 1104 NE2 GLN B 8 1.261 -5.519 -17.706 1.00 0.00 N flip ATOM 0 H GLN B 8 3.228 -3.453 -14.460 1.00 0.00 H new ATOM 0 HA GLN B 8 1.714 -4.969 -12.392 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.827 -6.295 -13.977 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.855 -4.744 -14.792 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.072 -5.556 -15.870 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.625 -7.148 -15.292 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.845 -4.685 -17.650 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.624 -5.644 -18.493 1.00 0.00 H new ATOM 1113 N ASP B 9 3.511 -6.741 -12.082 1.00 0.00 N ATOM 1114 CA ASP B 9 4.560 -7.718 -11.812 1.00 0.00 C ATOM 1115 C ASP B 9 4.529 -8.785 -12.917 1.00 0.00 C ATOM 1116 O ASP B 9 3.512 -8.907 -13.602 1.00 0.00 O ATOM 1117 CB ASP B 9 4.333 -8.326 -10.405 1.00 0.00 C ATOM 1118 CG ASP B 9 5.336 -9.429 -10.031 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.528 -9.118 -9.827 1.00 0.00 O ATOM 1120 OD2 ASP B 9 4.942 -10.612 -9.970 1.00 0.00 O ATOM 0 H ASP B 9 2.683 -6.856 -11.498 1.00 0.00 H new ATOM 0 HA ASP B 9 5.546 -7.254 -11.816 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.391 -7.530 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.324 -8.735 -10.356 1.00 0.00 H new ATOM 1125 N LYS B 10 5.652 -9.523 -13.072 1.00 0.00 N ATOM 1126 CA LYS B 10 5.815 -10.656 -14.019 1.00 0.00 C ATOM 1127 C LYS B 10 4.626 -11.645 -13.975 1.00 0.00 C ATOM 1128 O LYS B 10 4.225 -12.205 -14.995 1.00 0.00 O ATOM 1129 CB LYS B 10 7.203 -11.347 -13.784 1.00 0.00 C ATOM 1130 CG LYS B 10 7.526 -11.747 -12.320 1.00 0.00 C ATOM 1131 CD LYS B 10 6.907 -13.096 -11.879 1.00 0.00 C ATOM 1132 CE LYS B 10 6.930 -13.283 -10.359 1.00 0.00 C ATOM 1133 NZ LYS B 10 8.301 -13.264 -9.807 1.00 0.00 N ATOM 0 H LYS B 10 6.495 -9.344 -12.527 1.00 0.00 H new ATOM 0 HA LYS B 10 5.806 -10.261 -15.035 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.250 -12.243 -14.403 1.00 0.00 H new ATOM 0 HB3 LYS B 10 7.985 -10.675 -14.137 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.608 -11.800 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS B 10 7.170 -10.961 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.878 -13.153 -12.233 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.452 -13.914 -12.351 1.00 0.00 H new ATOM 0 HE2 LYS B 10 6.342 -12.494 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS B 10 6.453 -14.230 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 8.266 -13.445 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.872 -14.000 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 8.732 -12.333 -9.979 1.00 0.00 H new ATOM 1147 N ALA B 11 4.054 -11.810 -12.765 1.00 0.00 N ATOM 1148 CA ALA B 11 2.866 -12.651 -12.508 1.00 0.00 C ATOM 1149 C ALA B 11 1.542 -11.984 -12.987 1.00 0.00 C ATOM 1150 O ALA B 11 0.454 -12.496 -12.713 1.00 0.00 O ATOM 1151 CB ALA B 11 2.805 -12.974 -11.004 1.00 0.00 C ATOM 0 H ALA B 11 4.410 -11.355 -11.924 1.00 0.00 H new ATOM 0 HA ALA B 11 2.966 -13.570 -13.086 1.00 0.00 H new ATOM 0 HB1 ALA B 11 1.932 -13.595 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA B 11 3.708 -13.509 -10.710 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.732 -12.047 -10.435 1.00 0.00 H new ATOM 1157 N GLY B 12 1.664 -10.869 -13.732 1.00 0.00 N ATOM 1158 CA GLY B 12 0.529 -10.065 -14.199 1.00 0.00 C ATOM 1159 C GLY B 12 -0.202 -9.350 -13.069 1.00 0.00 C ATOM 1160 O GLY B 12 -1.408 -9.093 -13.171 1.00 0.00 O ATOM 0 H GLY B 12 2.568 -10.500 -14.028 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.885 -9.327 -14.917 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.173 -10.710 -14.727 1.00 0.00 H new ATOM 1164 N GLU B 13 0.539 -9.006 -11.998 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.048 -8.402 -10.778 1.00 0.00 C ATOM 1166 C GLU B 13 0.052 -6.874 -10.845 1.00 0.00 C ATOM 1167 O GLU B 13 1.100 -6.312 -10.532 1.00 0.00 O ATOM 1168 CB GLU B 13 0.658 -8.941 -9.493 1.00 0.00 C ATOM 1169 CG GLU B 13 0.443 -10.442 -9.220 1.00 0.00 C ATOM 1170 CD GLU B 13 -1.048 -10.820 -9.100 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -1.734 -10.289 -8.198 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -1.535 -11.653 -9.896 1.00 0.00 O ATOM 0 H GLU B 13 1.550 -9.135 -11.950 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.100 -8.684 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.728 -8.751 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.299 -8.375 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.896 -11.022 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.958 -10.717 -8.299 1.00 0.00 H new ATOM 1179 N TYR B 14 -1.013 -6.221 -11.338 1.00 0.00 N ATOM 1180 CA TYR B 14 -1.108 -4.750 -11.375 1.00 0.00 C ATOM 1181 C TYR B 14 -0.992 -4.126 -9.964 1.00 0.00 C ATOM 1182 O TYR B 14 -1.832 -4.341 -9.089 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.394 -4.303 -12.095 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.385 -4.668 -13.590 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.856 -3.790 -14.544 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.863 -5.900 -14.040 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.814 -4.130 -15.885 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.824 -6.241 -15.379 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.300 -5.357 -16.297 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.262 -5.699 -17.633 1.00 0.00 O ATOM 0 H TYR B 14 -1.831 -6.695 -11.721 1.00 0.00 H new ATOM 0 HA TYR B 14 -0.259 -4.379 -11.948 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -3.256 -4.767 -11.615 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.512 -3.225 -11.988 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.474 -2.831 -14.228 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.272 -6.601 -13.327 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.403 -3.440 -16.607 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.203 -7.198 -15.705 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.641 -6.595 -17.752 1.00 0.00 H new ATOM 1200 N ARG B 15 0.035 -3.289 -9.838 1.00 0.00 N ATOM 1201 CA ARG B 15 0.565 -2.751 -8.583 1.00 0.00 C ATOM 1202 C ARG B 15 0.822 -1.261 -8.726 1.00 0.00 C ATOM 1203 O ARG B 15 0.756 -0.701 -9.819 1.00 0.00 O ATOM 1204 CB ARG B 15 1.911 -3.447 -8.225 1.00 0.00 C ATOM 1205 CG ARG B 15 1.778 -4.912 -7.817 1.00 0.00 C ATOM 1206 CD ARG B 15 3.116 -5.642 -7.765 1.00 0.00 C ATOM 1207 NE ARG B 15 2.966 -6.975 -7.157 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.966 -7.775 -6.760 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.234 -7.409 -6.912 1.00 0.00 N ATOM 1210 NH2 ARG B 15 3.682 -8.949 -6.226 1.00 0.00 N ATOM 0 H ARG B 15 0.549 -2.948 -10.651 1.00 0.00 H new ATOM 0 HA ARG B 15 -0.168 -2.933 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG B 15 2.579 -3.382 -9.084 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.384 -2.898 -7.411 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.302 -4.969 -6.838 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.120 -5.421 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.520 -5.741 -8.773 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.833 -5.055 -7.191 1.00 0.00 H new ATOM 0 HE ARG B 15 2.015 -7.321 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.458 -6.509 -7.336 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.984 -8.028 -6.605 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.710 -9.239 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.435 -9.566 -5.920 1.00 0.00 H new ATOM 1224 N PHE B 16 1.133 -0.647 -7.597 1.00 0.00 N ATOM 1225 CA PHE B 16 1.706 0.686 -7.533 1.00 0.00 C ATOM 1226 C PHE B 16 2.706 0.706 -6.384 1.00 0.00 C ATOM 1227 O PHE B 16 2.494 0.058 -5.341 1.00 0.00 O ATOM 1228 CB PHE B 16 0.611 1.772 -7.374 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.315 1.603 -6.165 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.396 0.718 -6.211 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -0.128 2.347 -5.000 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.242 0.578 -5.134 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.982 2.209 -3.924 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.039 1.328 -3.993 1.00 0.00 C ATOM 0 H PHE B 16 0.991 -1.071 -6.680 1.00 0.00 H new ATOM 0 HA PHE B 16 2.217 0.921 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.097 2.745 -7.304 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.002 1.784 -8.278 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.570 0.136 -7.104 1.00 0.00 H new ATOM 0 HD2 PHE B 16 0.697 3.041 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.065 -0.119 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.822 2.791 -3.029 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.710 1.224 -3.153 1.00 0.00 H new ATOM 1244 N ARG B 17 3.817 1.401 -6.605 1.00 0.00 N ATOM 1245 CA ARG B 17 4.849 1.608 -5.597 1.00 0.00 C ATOM 1246 C ARG B 17 4.951 3.107 -5.323 1.00 0.00 C ATOM 1247 O ARG B 17 4.699 3.926 -6.216 1.00 0.00 O ATOM 1248 CB ARG B 17 6.208 1.026 -6.074 1.00 0.00 C ATOM 1249 CG ARG B 17 6.845 1.727 -7.291 1.00 0.00 C ATOM 1250 CD ARG B 17 8.199 1.118 -7.680 1.00 0.00 C ATOM 1251 NE ARG B 17 8.768 1.760 -8.877 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.169 1.114 -9.980 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.022 -0.194 -10.085 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.712 1.791 -10.975 1.00 0.00 N ATOM 0 H ARG B 17 4.028 1.841 -7.500 1.00 0.00 H new ATOM 0 HA ARG B 17 4.587 1.086 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.912 1.069 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.066 -0.027 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.164 1.663 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.977 2.786 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.895 1.221 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.077 0.051 -7.864 1.00 0.00 H new ATOM 0 HE ARG B 17 8.864 2.775 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.600 -0.723 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.331 -0.676 -10.929 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.825 2.802 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.019 1.303 -11.816 1.00 0.00 H new ATOM 1268 N PHE B 18 5.319 3.464 -4.091 1.00 0.00 N ATOM 1269 CA PHE B 18 5.487 4.871 -3.704 1.00 0.00 C ATOM 1270 C PHE B 18 6.979 5.130 -3.480 1.00 0.00 C ATOM 1271 O PHE B 18 7.669 4.362 -2.789 1.00 0.00 O ATOM 1272 CB PHE B 18 4.641 5.234 -2.461 1.00 0.00 C ATOM 1273 CG PHE B 18 4.631 6.714 -2.092 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.519 7.695 -3.074 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.703 7.119 -0.764 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.486 9.026 -2.738 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.666 8.449 -0.425 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.560 9.405 -1.412 1.00 0.00 C ATOM 0 H PHE B 18 5.507 2.799 -3.341 1.00 0.00 H new ATOM 0 HA PHE B 18 5.122 5.516 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.614 4.912 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE B 18 5.014 4.666 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.457 7.405 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.789 6.375 0.014 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.402 9.776 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.720 8.745 0.612 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.535 10.452 -1.148 1.00 0.00 H new ATOM 1288 N LYS B 19 7.455 6.204 -4.107 1.00 0.00 N ATOM 1289 CA LYS B 19 8.872 6.578 -4.153 1.00 0.00 C ATOM 1290 C LYS B 19 9.175 7.666 -3.115 1.00 0.00 C ATOM 1291 O LYS B 19 8.289 8.094 -2.371 1.00 0.00 O ATOM 1292 CB LYS B 19 9.203 7.066 -5.594 1.00 0.00 C ATOM 1293 CG LYS B 19 8.947 5.999 -6.683 1.00 0.00 C ATOM 1294 CD LYS B 19 9.794 4.718 -6.444 1.00 0.00 C ATOM 1295 CE LYS B 19 11.305 4.973 -6.596 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.693 5.130 -8.018 1.00 0.00 N ATOM 0 H LYS B 19 6.853 6.856 -4.610 1.00 0.00 H new ATOM 0 HA LYS B 19 9.495 5.718 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.605 7.950 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.249 7.370 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.889 5.738 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.184 6.415 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.592 4.334 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.486 3.946 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.580 5.871 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.860 4.144 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.459 4.464 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.872 4.933 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.021 6.103 -8.183 1.00 0.00 H new ATOM 1310 N ALA B 20 10.437 8.111 -3.096 1.00 0.00 N ATOM 1311 CA ALA B 20 10.922 9.192 -2.218 1.00 0.00 C ATOM 1312 C ALA B 20 11.778 10.164 -3.051 1.00 0.00 C ATOM 1313 O ALA B 20 12.185 9.822 -4.167 1.00 0.00 O ATOM 1314 CB ALA B 20 11.701 8.608 -1.030 1.00 0.00 C ATOM 0 H ALA B 20 11.165 7.726 -3.699 1.00 0.00 H new ATOM 0 HA ALA B 20 10.080 9.745 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.052 9.419 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.049 7.950 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.555 8.040 -1.399 1.00 0.00 H new ATOM 1320 N SER B 21 11.997 11.388 -2.526 1.00 0.00 N ATOM 1321 CA SER B 21 12.799 12.448 -3.188 1.00 0.00 C ATOM 1322 C SER B 21 14.233 11.998 -3.568 1.00 0.00 C ATOM 1323 O SER B 21 14.816 12.507 -4.530 1.00 0.00 O ATOM 1324 CB SER B 21 12.864 13.691 -2.277 1.00 0.00 C ATOM 1325 OG SER B 21 11.564 14.176 -1.971 1.00 0.00 O ATOM 0 H SER B 21 11.620 11.674 -1.622 1.00 0.00 H new ATOM 0 HA SER B 21 12.293 12.683 -4.125 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.388 13.441 -1.354 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.440 14.475 -2.768 1.00 0.00 H new ATOM 0 HG SER B 21 11.636 14.963 -1.391 1.00 0.00 H new ATOM 1331 N ASN B 22 14.797 11.055 -2.796 1.00 0.00 N ATOM 1332 CA ASN B 22 16.146 10.496 -3.053 1.00 0.00 C ATOM 1333 C ASN B 22 16.103 9.339 -4.081 1.00 0.00 C ATOM 1334 O ASN B 22 17.132 8.969 -4.648 1.00 0.00 O ATOM 1335 CB ASN B 22 16.795 10.047 -1.720 1.00 0.00 C ATOM 1336 CG ASN B 22 16.059 8.922 -1.017 1.00 0.00 C ATOM 1337 OD1 ASN B 22 14.849 8.748 -1.157 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.770 8.174 -0.218 1.00 0.00 N ATOM 0 H ASN B 22 14.337 10.656 -1.978 1.00 0.00 H new ATOM 0 HA ASN B 22 16.762 11.280 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.819 9.729 -1.917 1.00 0.00 H new ATOM 0 HB3 ASN B 22 16.851 10.904 -1.049 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.324 7.423 0.309 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.772 8.340 -0.121 1.00 0.00 H new ATOM 1345 N GLY B 23 14.896 8.812 -4.336 1.00 0.00 N ATOM 1346 CA GLY B 23 14.689 7.695 -5.263 1.00 0.00 C ATOM 1347 C GLY B 23 14.813 6.344 -4.578 1.00 0.00 C ATOM 1348 O GLY B 23 15.538 5.459 -5.043 1.00 0.00 O ATOM 0 H GLY B 23 14.036 9.150 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.701 7.780 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.417 7.758 -6.072 1.00 0.00 H new ATOM 1352 N GLU B 24 14.096 6.199 -3.457 1.00 0.00 N ATOM 1353 CA GLU B 24 14.007 4.939 -2.694 1.00 0.00 C ATOM 1354 C GLU B 24 12.527 4.583 -2.513 1.00 0.00 C ATOM 1355 O GLU B 24 11.721 5.434 -2.114 1.00 0.00 O ATOM 1356 CB GLU B 24 14.719 5.070 -1.316 1.00 0.00 C ATOM 1357 CG GLU B 24 16.254 5.211 -1.384 1.00 0.00 C ATOM 1358 CD GLU B 24 16.969 3.948 -1.893 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.248 3.043 -1.084 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.262 3.849 -3.097 1.00 0.00 O ATOM 0 H GLU B 24 13.554 6.959 -3.046 1.00 0.00 H new ATOM 0 HA GLU B 24 14.512 4.143 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU B 24 14.313 5.937 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.476 4.194 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.505 6.047 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.632 5.457 -0.391 1.00 0.00 H new ATOM 1367 N THR B 25 12.175 3.337 -2.844 1.00 0.00 N ATOM 1368 CA THR B 25 10.806 2.828 -2.732 1.00 0.00 C ATOM 1369 C THR B 25 10.561 2.315 -1.311 1.00 0.00 C ATOM 1370 O THR B 25 11.323 1.497 -0.798 1.00 0.00 O ATOM 1371 CB THR B 25 10.556 1.681 -3.759 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.935 2.109 -5.071 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.097 1.213 -3.778 1.00 0.00 C ATOM 0 H THR B 25 12.838 2.648 -3.200 1.00 0.00 H new ATOM 0 HA THR B 25 10.115 3.642 -2.950 1.00 0.00 H new ATOM 0 HB THR B 25 11.168 0.835 -3.445 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.777 1.383 -5.710 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.981 0.414 -4.510 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.821 0.843 -2.791 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.450 2.048 -4.047 1.00 0.00 H new ATOM 1381 N MET B 26 9.480 2.797 -0.706 1.00 0.00 N ATOM 1382 CA MET B 26 9.138 2.508 0.694 1.00 0.00 C ATOM 1383 C MET B 26 7.981 1.482 0.801 1.00 0.00 C ATOM 1384 O MET B 26 7.781 0.895 1.870 1.00 0.00 O ATOM 1385 CB MET B 26 8.878 3.838 1.462 1.00 0.00 C ATOM 1386 CG MET B 26 8.149 4.924 0.664 1.00 0.00 C ATOM 1387 SD MET B 26 6.517 4.415 0.133 1.00 0.00 S ATOM 1388 CE MET B 26 5.731 4.251 1.714 1.00 0.00 C ATOM 0 H MET B 26 8.807 3.405 -1.172 1.00 0.00 H new ATOM 0 HA MET B 26 9.985 2.024 1.180 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.295 3.614 2.356 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.835 4.238 1.797 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.064 5.822 1.275 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.745 5.188 -0.210 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.049 3.401 1.695 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.488 4.091 2.482 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.173 5.160 1.939 1.00 0.00 H new ATOM 1398 N PHE B 27 7.232 1.262 -0.305 1.00 0.00 N ATOM 1399 CA PHE B 27 6.366 0.063 -0.454 1.00 0.00 C ATOM 1400 C PHE B 27 6.087 -0.231 -1.931 1.00 0.00 C ATOM 1401 O PHE B 27 6.223 0.630 -2.803 1.00 0.00 O ATOM 1402 CB PHE B 27 4.993 0.152 0.323 1.00 0.00 C ATOM 1403 CG PHE B 27 3.850 0.930 -0.380 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.722 2.288 -0.218 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.909 0.285 -1.193 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.719 3.005 -0.832 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.901 0.997 -1.822 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.803 2.363 -1.634 1.00 0.00 C ATOM 0 H PHE B 27 7.208 1.894 -1.105 1.00 0.00 H new ATOM 0 HA PHE B 27 6.934 -0.750 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.645 -0.862 0.519 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.178 0.618 1.291 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.429 2.809 0.410 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.970 -0.784 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.651 4.073 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.193 0.486 -2.458 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.013 2.923 -2.113 1.00 0.00 H new ATOM 1418 N SER B 28 5.605 -1.450 -2.134 1.00 0.00 N ATOM 1419 CA SER B 28 4.979 -1.907 -3.374 1.00 0.00 C ATOM 1420 C SER B 28 3.734 -2.707 -2.978 1.00 0.00 C ATOM 1421 O SER B 28 3.728 -3.357 -1.916 1.00 0.00 O ATOM 1422 CB SER B 28 5.953 -2.751 -4.230 1.00 0.00 C ATOM 1423 OG SER B 28 6.377 -3.923 -3.552 1.00 0.00 O ATOM 0 H SER B 28 5.639 -2.175 -1.417 1.00 0.00 H new ATOM 0 HA SER B 28 4.703 -1.056 -3.997 1.00 0.00 H new ATOM 0 HB2 SER B 28 5.466 -3.029 -5.165 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.823 -2.148 -4.490 1.00 0.00 H new ATOM 0 HG SER B 28 6.682 -3.687 -2.651 1.00 0.00 H new ATOM 1429 N SER B 29 2.679 -2.640 -3.802 1.00 0.00 N ATOM 1430 CA SER B 29 1.410 -3.319 -3.517 1.00 0.00 C ATOM 1431 C SER B 29 1.536 -4.823 -3.828 1.00 0.00 C ATOM 1432 O SER B 29 2.458 -5.247 -4.542 1.00 0.00 O ATOM 1433 CB SER B 29 0.274 -2.672 -4.348 1.00 0.00 C ATOM 1434 OG SER B 29 -0.984 -3.291 -4.112 1.00 0.00 O ATOM 0 H SER B 29 2.682 -2.117 -4.678 1.00 0.00 H new ATOM 0 HA SER B 29 1.168 -3.211 -2.460 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.207 -1.612 -4.104 1.00 0.00 H new ATOM 0 HB3 SER B 29 0.517 -2.741 -5.408 1.00 0.00 H new ATOM 0 HG SER B 29 -1.672 -2.851 -4.654 1.00 0.00 H new ATOM 1440 N GLU B 30 0.617 -5.622 -3.265 1.00 0.00 N ATOM 1441 CA GLU B 30 0.514 -7.061 -3.570 1.00 0.00 C ATOM 1442 C GLU B 30 0.169 -7.286 -5.053 1.00 0.00 C ATOM 1443 O GLU B 30 0.623 -8.257 -5.676 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.581 -7.718 -2.707 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.401 -7.571 -1.195 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.501 -8.314 -0.437 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -2.650 -7.838 -0.433 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -1.236 -9.398 0.103 1.00 0.00 O ATOM 0 H GLU B 30 -0.073 -5.293 -2.589 1.00 0.00 H new ATOM 0 HA GLU B 30 1.481 -7.512 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.544 -7.290 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -0.623 -8.780 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU B 30 0.574 -7.960 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.417 -6.515 -0.924 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.623 -6.350 -5.603 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.216 -6.523 -6.925 1.00 0.00 C ATOM 1457 C GLY B 31 -2.717 -6.569 -6.838 1.00 0.00 C ATOM 1458 O GLY B 31 -3.318 -7.553 -7.253 1.00 0.00 O ATOM 0 H GLY B 31 -0.863 -5.470 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -0.910 -5.703 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -0.845 -7.443 -7.377 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.303 -5.438 -6.386 1.00 0.00 N ATOM 1463 CA TYR B 32 -4.666 -5.361 -5.815 1.00 0.00 C ATOM 1464 C TYR B 32 -5.719 -6.106 -6.684 1.00 0.00 C ATOM 1465 O TYR B 32 -6.411 -6.999 -6.187 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.050 -3.862 -5.669 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.440 -3.620 -5.048 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -6.770 -4.154 -3.797 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.415 -2.859 -5.705 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.014 -3.941 -3.233 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -8.660 -2.648 -5.138 1.00 0.00 C ATOM 1472 CZ TYR B 32 -8.951 -3.191 -3.902 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.186 -2.972 -3.327 1.00 0.00 O ATOM 0 H TYR B 32 -2.831 -4.534 -6.409 1.00 0.00 H new ATOM 0 HA TYR B 32 -4.663 -5.856 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.299 -3.365 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.018 -3.394 -6.653 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.039 -4.743 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.192 -2.429 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.249 -4.364 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.401 -2.061 -5.660 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.084 -2.882 -2.357 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.788 -5.765 -7.989 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.758 -6.396 -8.915 1.00 0.00 C ATOM 1485 C LYS B 33 -6.374 -6.146 -10.387 1.00 0.00 C ATOM 1486 O LYS B 33 -5.994 -7.072 -11.107 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.197 -5.868 -8.623 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.342 -6.650 -9.303 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.379 -8.138 -8.880 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.661 -8.859 -9.328 1.00 0.00 C ATOM 1491 NZ LYS B 33 -11.874 -8.281 -8.683 1.00 0.00 N ATOM 0 H LYS B 33 -5.190 -5.063 -8.424 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.736 -7.473 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.359 -5.884 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.254 -4.826 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.294 -6.182 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -9.228 -6.586 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.514 -8.651 -9.301 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.292 -8.204 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -10.757 -8.790 -10.412 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.588 -9.918 -9.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -12.670 -8.942 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -11.686 -8.119 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -12.113 -7.378 -9.140 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.461 -4.878 -10.812 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.257 -4.469 -12.220 1.00 0.00 C ATOM 1507 C ALA B 34 -5.662 -3.057 -12.256 1.00 0.00 C ATOM 1508 O ALA B 34 -5.480 -2.445 -11.196 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.591 -4.531 -12.979 1.00 0.00 C ATOM 0 H ALA B 34 -6.676 -4.099 -10.190 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.560 -5.150 -12.709 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.435 -4.229 -14.015 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.978 -5.550 -12.953 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.309 -3.858 -12.509 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.344 -2.532 -13.465 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.760 -1.185 -13.639 1.00 0.00 C ATOM 1517 C LYS B 35 -5.764 -0.121 -13.181 1.00 0.00 C ATOM 1518 O LYS B 35 -5.423 0.751 -12.389 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.332 -1.010 -15.140 1.00 0.00 C ATOM 1520 CG LYS B 35 -3.988 0.430 -15.651 1.00 0.00 C ATOM 1521 CD LYS B 35 -5.232 1.220 -16.173 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.878 2.456 -17.014 1.00 0.00 C ATOM 1523 NZ LYS B 35 -4.063 3.437 -16.268 1.00 0.00 N ATOM 0 H LYS B 35 -5.486 -3.032 -14.343 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.870 -1.064 -13.022 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.460 -1.641 -15.313 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -5.137 -1.400 -15.763 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.524 0.993 -14.841 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.252 0.357 -16.452 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.850 0.551 -16.771 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.835 1.533 -15.321 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -4.335 2.141 -17.905 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.796 2.935 -17.353 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.725 4.174 -16.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -4.642 3.873 -15.522 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -3.248 2.955 -15.837 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.011 -0.229 -13.677 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.121 0.677 -13.299 1.00 0.00 C ATOM 1539 C ALA B 36 -8.313 0.694 -11.771 1.00 0.00 C ATOM 1540 O ALA B 36 -8.468 1.756 -11.167 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.420 0.260 -14.013 1.00 0.00 C ATOM 0 H ALA B 36 -7.281 -0.945 -14.351 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.867 1.688 -13.616 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.226 0.935 -13.725 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.274 0.309 -15.092 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.681 -0.759 -13.728 1.00 0.00 H new ATOM 1547 N SER B 37 -8.228 -0.502 -11.166 1.00 0.00 N ATOM 1548 CA SER B 37 -8.347 -0.694 -9.710 1.00 0.00 C ATOM 1549 C SER B 37 -7.125 -0.110 -8.960 1.00 0.00 C ATOM 1550 O SER B 37 -7.249 0.314 -7.810 1.00 0.00 O ATOM 1551 CB SER B 37 -8.477 -2.197 -9.400 1.00 0.00 C ATOM 1552 OG SER B 37 -9.478 -2.808 -10.200 1.00 0.00 O ATOM 0 H SER B 37 -8.073 -1.371 -11.678 1.00 0.00 H new ATOM 0 HA SER B 37 -9.236 -0.164 -9.368 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.520 -2.690 -9.573 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.719 -2.333 -8.346 1.00 0.00 H new ATOM 0 HG SER B 37 -9.874 -3.559 -9.711 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.949 -0.099 -9.636 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.694 0.417 -9.064 1.00 0.00 C ATOM 1560 C ALA B 38 -4.765 1.946 -8.904 1.00 0.00 C ATOM 1561 O ALA B 38 -4.432 2.462 -7.839 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.479 0.001 -9.917 1.00 0.00 C ATOM 0 H ALA B 38 -5.851 -0.448 -10.589 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.564 -0.023 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.567 0.397 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.420 -1.087 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.590 0.398 -10.926 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.203 2.665 -9.970 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.459 4.126 -9.913 1.00 0.00 C ATOM 1570 C ILE B 39 -6.502 4.457 -8.830 1.00 0.00 C ATOM 1571 O ILE B 39 -6.284 5.363 -8.032 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.925 4.727 -11.316 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.740 4.807 -12.338 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.587 6.127 -11.171 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.255 3.487 -12.895 1.00 0.00 C ATOM 0 H ILE B 39 -5.387 2.252 -10.884 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.508 4.594 -9.658 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.674 4.036 -11.701 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.047 5.440 -13.171 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.900 5.304 -11.852 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.886 6.492 -12.154 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.465 6.050 -10.530 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.874 6.822 -10.727 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.434 3.665 -13.590 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.908 2.853 -12.079 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.072 2.990 -13.418 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.617 3.695 -8.809 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.717 3.879 -7.825 1.00 0.00 C ATOM 1589 C HIS B 40 -8.197 3.768 -6.380 1.00 0.00 C ATOM 1590 O HIS B 40 -8.603 4.540 -5.483 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.862 2.861 -8.084 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.710 3.182 -9.294 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -12.014 2.769 -9.424 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.431 3.878 -10.430 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.496 3.192 -10.573 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.560 3.870 -11.205 1.00 0.00 N ATOM 0 H HIS B 40 -7.784 2.936 -9.470 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.119 4.884 -7.955 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.430 1.868 -8.209 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.504 2.820 -7.204 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.491 4.350 -10.675 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.496 3.013 -10.938 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -11.659 4.314 -12.118 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.269 2.827 -6.180 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.570 2.653 -4.918 1.00 0.00 C ATOM 1607 C ALA B 41 -5.751 3.915 -4.598 1.00 0.00 C ATOM 1608 O ALA B 41 -5.920 4.512 -3.545 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.688 1.395 -4.985 1.00 0.00 C ATOM 0 H ALA B 41 -6.985 2.163 -6.900 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.288 2.513 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.165 1.267 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.313 0.522 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.960 1.503 -5.789 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.928 4.363 -5.550 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.121 5.590 -5.393 1.00 0.00 C ATOM 1617 C ILE B 42 -5.010 6.826 -5.135 1.00 0.00 C ATOM 1618 O ILE B 42 -4.601 7.751 -4.437 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.215 5.832 -6.640 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.304 4.599 -6.871 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.370 7.120 -6.490 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.622 4.581 -8.206 1.00 0.00 C ATOM 0 H ILE B 42 -4.798 3.894 -6.447 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.482 5.443 -4.522 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.858 5.970 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.546 4.569 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.903 3.694 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.752 7.255 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.032 7.978 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.730 7.035 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.004 3.686 -8.287 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.371 4.578 -8.997 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.993 5.466 -8.305 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.251 6.796 -5.645 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.203 7.900 -5.465 1.00 0.00 C ATOM 1636 C GLU B 43 -7.590 8.033 -3.990 1.00 0.00 C ATOM 1637 O GLU B 43 -7.797 9.151 -3.516 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.455 7.743 -6.360 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.182 7.959 -7.862 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.451 7.885 -8.725 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.121 8.925 -8.912 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.792 6.791 -9.209 1.00 0.00 O ATOM 0 H GLU B 43 -6.619 6.015 -6.188 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.707 8.818 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.869 6.745 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.214 8.453 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.711 8.932 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.471 7.208 -8.207 1.00 0.00 H new ATOM 1649 N SER B 44 -7.643 6.886 -3.269 1.00 0.00 N ATOM 1650 CA SER B 44 -7.792 6.871 -1.795 1.00 0.00 C ATOM 1651 C SER B 44 -6.672 7.656 -1.107 1.00 0.00 C ATOM 1652 O SER B 44 -6.914 8.351 -0.106 1.00 0.00 O ATOM 1653 CB SER B 44 -7.775 5.421 -1.261 1.00 0.00 C ATOM 1654 OG SER B 44 -9.005 4.754 -1.507 1.00 0.00 O ATOM 0 H SER B 44 -7.584 5.958 -3.687 1.00 0.00 H new ATOM 0 HA SER B 44 -8.748 7.342 -1.568 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.962 4.869 -1.733 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.575 5.430 -0.190 1.00 0.00 H new ATOM 0 HG SER B 44 -9.402 4.475 -0.655 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.439 7.529 -1.649 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.262 8.155 -1.045 1.00 0.00 C ATOM 1662 C ILE B 45 -4.383 9.684 -1.172 1.00 0.00 C ATOM 1663 O ILE B 45 -4.102 10.431 -0.225 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.875 7.681 -1.663 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.873 6.173 -2.063 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.764 7.923 -0.632 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.894 5.197 -0.909 1.00 0.00 C ATOM 0 H ILE B 45 -5.244 7.000 -2.499 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.249 7.839 -0.002 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.709 8.259 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.740 5.981 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.988 5.976 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.808 7.601 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.716 8.985 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.978 7.355 0.273 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.891 4.177 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.013 5.352 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.793 5.357 -0.314 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.854 10.131 -2.350 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.963 11.567 -2.694 1.00 0.00 C ATOM 1681 C LYS B 46 -5.987 12.310 -1.825 1.00 0.00 C ATOM 1682 O LYS B 46 -5.905 13.531 -1.657 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.325 11.768 -4.202 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.675 10.799 -5.231 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.176 10.487 -4.985 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.294 11.720 -4.862 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.327 12.571 -6.069 1.00 0.00 N ATOM 0 H LYS B 46 -5.171 9.509 -3.094 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.979 11.993 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.407 11.688 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.053 12.786 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.231 9.861 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.782 11.227 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.084 9.896 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.806 9.870 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.615 12.306 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.267 11.409 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.360 12.704 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.907 12.113 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.738 13.496 -5.830 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.939 11.541 -1.300 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.067 12.064 -0.495 1.00 0.00 C ATOM 1703 C ARG B 47 -7.589 12.728 0.812 1.00 0.00 C ATOM 1704 O ARG B 47 -7.891 13.901 1.064 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.078 10.929 -0.174 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.778 10.319 -1.402 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.709 11.309 -2.122 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.258 10.744 -3.372 1.00 0.00 N ATOM 1709 CZ ARG B 47 -12.413 10.069 -3.484 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -13.142 9.762 -2.412 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -12.828 9.681 -4.682 1.00 0.00 N ATOM 0 H ARG B 47 -6.959 10.528 -1.416 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.560 12.830 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.554 10.136 0.359 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.838 11.320 0.503 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.023 9.964 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.356 9.449 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.528 11.584 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -10.161 12.224 -2.348 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.712 10.878 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -12.826 10.041 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -14.017 9.248 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.271 9.896 -5.509 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.704 9.168 -4.777 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.820 11.971 1.619 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.456 12.398 3.001 1.00 0.00 C ATOM 1727 C ASN B 48 -5.416 11.460 3.646 1.00 0.00 C ATOM 1728 O ASN B 48 -5.241 11.482 4.853 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.750 12.515 3.887 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.562 13.243 5.233 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.307 12.495 6.299 1.00 0.00 O flip ATOM 1732 ND2 ASN B 48 -7.681 14.462 5.318 1.00 0.00 N flip ATOM 0 H ASN B 48 -6.437 11.065 1.348 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.986 13.379 2.935 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.517 13.037 3.314 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.127 11.512 4.085 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.877 15.015 4.483 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.584 14.922 6.223 1.00 0.00 H new ATOM 1739 N SER B 49 -4.710 10.645 2.851 1.00 0.00 N ATOM 1740 CA SER B 49 -3.768 9.638 3.395 1.00 0.00 C ATOM 1741 C SER B 49 -2.568 10.279 4.126 1.00 0.00 C ATOM 1742 O SER B 49 -2.042 9.705 5.087 1.00 0.00 O ATOM 1743 CB SER B 49 -3.280 8.738 2.281 1.00 0.00 C ATOM 1744 OG SER B 49 -2.548 7.640 2.758 1.00 0.00 O ATOM 0 H SER B 49 -4.768 10.657 1.833 1.00 0.00 H new ATOM 0 HA SER B 49 -4.313 9.051 4.135 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.135 8.379 1.708 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.658 9.316 1.598 1.00 0.00 H new ATOM 0 HG SER B 49 -2.583 7.624 3.737 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.151 11.470 3.665 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.127 12.278 4.354 1.00 0.00 C ATOM 1752 C ALA B 50 -1.613 12.791 5.734 1.00 0.00 C ATOM 1753 O ALA B 50 -0.799 13.175 6.580 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.674 13.435 3.452 1.00 0.00 C ATOM 0 H ALA B 50 -2.510 11.898 2.812 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.271 11.633 4.552 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.082 14.025 3.970 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.253 13.034 2.530 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.529 14.068 3.215 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.945 12.805 5.934 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.559 13.106 7.238 1.00 0.00 C ATOM 1762 C GLY B 51 -4.173 11.878 7.928 1.00 0.00 C ATOM 1763 O GLY B 51 -4.660 11.987 9.060 1.00 0.00 O ATOM 0 H GLY B 51 -3.622 12.608 5.197 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.805 13.541 7.893 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.334 13.860 7.100 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.166 10.718 7.237 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.704 9.442 7.763 1.00 0.00 C ATOM 1769 C ALA B 52 -3.857 8.922 8.931 1.00 0.00 C ATOM 1770 O ALA B 52 -2.637 8.959 8.864 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.747 8.391 6.648 1.00 0.00 C ATOM 0 H ALA B 52 -3.785 10.639 6.294 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.714 9.628 8.128 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.144 7.456 7.044 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.388 8.744 5.840 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.740 8.224 6.266 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.510 8.397 9.975 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.819 7.934 11.196 1.00 0.00 C ATOM 1779 C ASP B 53 -2.987 6.653 10.928 1.00 0.00 C ATOM 1780 O ASP B 53 -3.163 5.987 9.904 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.851 7.722 12.335 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.224 7.311 13.684 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.313 8.017 14.172 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.644 6.299 14.267 1.00 0.00 O ATOM 0 H ASP B 53 -5.523 8.280 10.003 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.113 8.703 11.510 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.416 8.643 12.475 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.562 6.955 12.028 1.00 0.00 H new ATOM 1789 N THR B 54 -2.025 6.362 11.810 1.00 0.00 N ATOM 1790 CA THR B 54 -1.170 5.171 11.705 1.00 0.00 C ATOM 1791 C THR B 54 -1.380 4.254 12.936 1.00 0.00 C ATOM 1792 O THR B 54 -0.867 4.528 14.023 1.00 0.00 O ATOM 1793 CB THR B 54 0.319 5.626 11.549 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.421 6.555 10.451 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.288 4.464 11.299 1.00 0.00 C ATOM 0 H THR B 54 -1.815 6.946 12.619 1.00 0.00 H new ATOM 0 HA THR B 54 -1.439 4.586 10.825 1.00 0.00 H new ATOM 0 HB THR B 54 0.604 6.089 12.494 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.352 6.843 10.352 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.302 4.851 11.201 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.245 3.768 12.136 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.007 3.946 10.382 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.186 3.191 12.743 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.531 2.195 13.785 1.00 0.00 C ATOM 1805 C VAL B 55 -1.695 0.917 13.581 1.00 0.00 C ATOM 1806 O VAL B 55 -1.748 0.320 12.505 1.00 0.00 O ATOM 1807 CB VAL B 55 -4.062 1.826 13.714 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.459 0.772 14.772 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.938 3.089 13.840 1.00 0.00 C ATOM 0 H VAL B 55 -2.625 2.994 11.844 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.314 2.629 14.761 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.238 1.379 12.736 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.523 0.550 14.684 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.884 -0.140 14.611 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.251 1.161 15.769 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.990 2.809 13.788 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.739 3.576 14.795 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.705 3.776 13.026 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.924 0.512 14.608 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.100 -0.718 14.550 1.00 0.00 C ATOM 1821 C ASP B 56 -0.795 -1.877 15.289 1.00 0.00 C ATOM 1822 O ASP B 56 -0.933 -1.852 16.518 1.00 0.00 O ATOM 1823 CB ASP B 56 1.309 -0.464 15.137 1.00 0.00 C ATOM 1824 CG ASP B 56 2.310 -1.611 14.867 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.125 -2.736 15.391 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.296 -1.382 14.150 1.00 0.00 O ATOM 0 H ASP B 56 -0.852 1.018 15.491 1.00 0.00 H new ATOM 0 HA ASP B 56 0.013 -1.000 13.503 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.707 0.460 14.717 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.223 -0.314 16.213 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.214 -2.886 14.518 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.851 -4.112 15.026 1.00 0.00 C ATOM 1833 C LEU B 57 -0.812 -5.148 15.512 1.00 0.00 C ATOM 1834 O LEU B 57 -1.041 -5.828 16.515 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.727 -4.742 13.904 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.074 -4.018 13.542 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -3.900 -2.515 13.236 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -4.746 -4.723 12.354 1.00 0.00 C ATOM 0 H LEU B 57 -1.119 -2.876 13.502 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.468 -3.836 15.881 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.123 -4.801 12.999 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -2.963 -5.765 14.196 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.709 -4.082 14.426 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.869 -2.078 12.994 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.483 -2.012 14.108 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.225 -2.392 12.389 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -5.679 -4.215 12.110 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -4.081 -4.695 11.491 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -4.956 -5.760 12.617 1.00 0.00 H new ATOM 1850 N THR B 58 0.349 -5.223 14.830 1.00 0.00 N ATOM 1851 CA THR B 58 1.246 -6.406 14.911 1.00 0.00 C ATOM 1852 C THR B 58 2.086 -6.452 16.206 1.00 0.00 C ATOM 1853 O THR B 58 2.656 -7.505 16.529 1.00 0.00 O ATOM 1854 CB THR B 58 2.183 -6.501 13.659 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.909 -7.736 13.652 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.158 -5.320 13.536 1.00 0.00 C ATOM 0 H THR B 58 0.691 -4.483 14.217 1.00 0.00 H new ATOM 0 HA THR B 58 0.584 -7.272 14.929 1.00 0.00 H new ATOM 0 HB THR B 58 1.524 -6.461 12.792 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.120 -7.997 14.573 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.776 -5.450 12.648 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.595 -4.390 13.453 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.795 -5.281 14.419 1.00 0.00 H new ATOM 1864 N THR B 59 2.143 -5.338 16.969 1.00 0.00 N ATOM 1865 CA THR B 59 2.898 -5.280 18.244 1.00 0.00 C ATOM 1866 C THR B 59 1.942 -5.085 19.439 1.00 0.00 C ATOM 1867 O THR B 59 2.383 -5.038 20.591 1.00 0.00 O ATOM 1868 CB THR B 59 3.995 -4.159 18.230 1.00 0.00 C ATOM 1869 OG1 THR B 59 3.398 -2.877 17.956 1.00 0.00 O ATOM 1870 CG2 THR B 59 5.095 -4.454 17.190 1.00 0.00 C ATOM 0 H THR B 59 1.675 -4.465 16.725 1.00 0.00 H new ATOM 0 HA THR B 59 3.410 -6.236 18.356 1.00 0.00 H new ATOM 0 HB THR B 59 4.457 -4.141 19.217 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.983 -2.893 17.068 1.00 0.00 H new ATOM 0 HG21 THR B 59 5.837 -3.656 17.209 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.576 -5.403 17.428 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.650 -4.512 16.197 1.00 0.00 H new