USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=46 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 35 LYS NZ :NH3+ -153:sc= -0.57 (180deg=-1.6!) USER MOD Set 1.2: B 59 THR OG1 : rot -64:sc= 0.964 USER MOD Set 2.1: A 8 GLN :FLIP amide:sc= 0.255 F(o=-0.25,f=1) USER MOD Set 2.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: B 58 THR OG1 : rot -30:sc= 0.751 USER MOD Set 3.1: A 58 THR OG1 : rot -151:sc= 1.28 USER MOD Set 3.2: B 8 GLN :FLIP amide:sc= 0.357 F(o=2.3,f=3.4) USER MOD Set 3.3: B 14 TYR OH : rot 180:sc= 0.81 USER MOD Set 3.4: B 35 LYS NZ :NH3+ -122:sc= 0.942 (180deg=0) USER MOD Set 4.1: B 7 TYR OH : rot 5:sc= 1.34 USER MOD Set 4.2: B 28 SER OG : rot 172:sc= 0.432 USER MOD Set 4.3: B 29 SER OG : rot -20:sc= 0.43 USER MOD Set 5.1: A 54 THR OG1 : rot -46:sc= 0.42 USER MOD Set 5.2: B 46 LYS NZ :NH3+ -166:sc= 1.65 (180deg=0.997) USER MOD Set 6.1: A 46 LYS NZ :NH3+ -136:sc= 1.31 (180deg=0.483) USER MOD Set 6.2: B 54 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 7 TYR OH : rot 6:sc= 1.51 USER MOD Set 7.2: A 28 SER OG : rot 27:sc= 0.667 USER MOD Set 7.3: A 29 SER OG : rot -17:sc= 0.23 USER MOD Set 8.1: A 19 LYS NZ :NH3+ -156:sc= 1.81 (180deg=0.419) USER MOD Set 8.2: A 25 THR OG1 : rot 110:sc= 0.944 USER MOD Set 9.1: A 1 MET CE :methyl -164:sc= -0.0918 (180deg=-0.464) USER MOD Set 9.2: B 48 ASN : amide:sc= -0.853 X(o=-0.94,f=-0.6) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0994 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 3 LYS NZ :NH3+ 136:sc= -0.448 (180deg=-0.905) USER MOD Single : A 10 LYS NZ :NH3+ 156:sc= 1.06 (180deg=0.429) USER MOD Single : A 21 SER OG : rot 180:sc=0.000418 USER MOD Single : A 22 ASN : amide:sc= 0.25 X(o=0.25,f=-0.16) USER MOD Single : A 26 MET CE :methyl -177:sc= -5.76! (180deg=-5.94!) 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 37 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 40 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 44 SER OG : rot -150:sc= 0.179 USER MOD Single : A 48 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.28) USER MOD Single : A 49 SER OG : rot 10:sc= -0.199 USER MOD Single : A 59 THR OG1 : rot -78:sc= 0.548 USER MOD Single : B 1 MET CE :methyl -163:sc= -0.0726 (180deg=-0.43) USER MOD Single : B 1 MET N :NH3+ -98:sc= 0.0806 (180deg=0) USER MOD Single : B 2 TYR OH : rot -140:sc= -0.991 USER MOD Single : B 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0108) USER MOD Single : B 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0147) USER MOD Single : B 19 LYS NZ :NH3+ 153:sc= 0.946 (180deg=0.508) USER MOD Single : B 21 SER OG : rot 180:sc= 0.0102 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.35 USER MOD Single : B 26 MET CE :methyl 180:sc= -5.74! (180deg=-5.74!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0.093) USER MOD Single : B 44 SER OG : rot -150:sc= 0 USER MOD Single : B 49 SER OG : rot 6:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.167 7.738 10.901 1.00 0.00 N ATOM 2 CA MET A 1 -11.476 8.021 9.620 1.00 0.00 C ATOM 3 C MET A 1 -10.627 6.808 9.216 1.00 0.00 C ATOM 4 O MET A 1 -10.285 5.978 10.066 1.00 0.00 O ATOM 5 CB MET A 1 -10.594 9.302 9.757 1.00 0.00 C ATOM 6 CG MET A 1 -9.873 9.744 8.470 1.00 0.00 C ATOM 7 SD MET A 1 -8.823 11.197 8.693 1.00 0.00 S ATOM 8 CE MET A 1 -10.012 12.431 9.219 1.00 0.00 C ATOM 0 H1 MET A 1 -13.172 7.545 10.718 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.732 6.909 11.354 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.082 8.561 11.531 1.00 0.00 H new ATOM 0 HA MET A 1 -12.215 8.203 8.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.224 10.122 10.101 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.847 9.128 10.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.263 8.918 8.103 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.616 9.957 7.702 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.574 13.424 9.120 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.905 12.364 8.597 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.281 12.256 10.261 1.00 0.00 H new ATOM 18 N TYR A 2 -10.321 6.691 7.908 1.00 0.00 N ATOM 19 CA TYR A 2 -9.364 5.693 7.398 1.00 0.00 C ATOM 20 C TYR A 2 -7.945 5.914 7.965 1.00 0.00 C ATOM 21 O TYR A 2 -7.571 7.032 8.359 1.00 0.00 O ATOM 22 CB TYR A 2 -9.348 5.653 5.843 1.00 0.00 C ATOM 23 CG TYR A 2 -9.448 7.005 5.105 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.484 8.006 5.251 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.516 7.260 4.245 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.593 9.205 4.567 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.626 8.446 3.565 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.671 9.414 3.725 1.00 0.00 C ATOM 29 OH TYR A 2 -9.793 10.598 3.041 1.00 0.00 O ATOM 0 H TYR A 2 -10.727 7.281 7.182 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.707 4.720 7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.428 5.162 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.175 5.025 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.642 7.842 5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.276 6.504 4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.842 9.971 4.690 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.464 8.616 2.905 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.606 10.578 2.495 1.00 0.00 H new ATOM 39 N LYS A 3 -7.160 4.831 7.947 1.00 0.00 N ATOM 40 CA LYS A 3 -5.883 4.740 8.662 1.00 0.00 C ATOM 41 C LYS A 3 -4.998 3.622 8.071 1.00 0.00 C ATOM 42 O LYS A 3 -5.415 2.894 7.156 1.00 0.00 O ATOM 43 CB LYS A 3 -6.127 4.546 10.209 1.00 0.00 C ATOM 44 CG LYS A 3 -7.296 3.593 10.618 1.00 0.00 C ATOM 45 CD LYS A 3 -7.168 2.158 10.047 1.00 0.00 C ATOM 46 CE LYS A 3 -8.299 1.226 10.497 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.296 1.028 11.964 1.00 0.00 N ATOM 0 H LYS A 3 -7.396 3.984 7.430 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.343 5.678 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.207 4.167 10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.315 5.525 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.342 3.538 11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.238 4.025 10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.158 2.207 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.212 1.735 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.258 1.642 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.195 0.262 10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.269 1.094 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.907 0.090 12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.710 1.761 12.412 1.00 0.00 H new ATOM 61 N PHE A 4 -3.781 3.501 8.618 1.00 0.00 N ATOM 62 CA PHE A 4 -2.789 2.501 8.209 1.00 0.00 C ATOM 63 C PHE A 4 -2.735 1.369 9.239 1.00 0.00 C ATOM 64 O PHE A 4 -2.329 1.591 10.374 1.00 0.00 O ATOM 65 CB PHE A 4 -1.397 3.156 8.069 1.00 0.00 C ATOM 66 CG PHE A 4 -1.324 4.241 6.994 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.610 5.576 7.296 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.963 3.926 5.685 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.533 6.552 6.325 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.889 4.906 4.718 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.169 6.216 5.042 1.00 0.00 C ATOM 0 H PHE A 4 -3.454 4.107 9.371 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.081 2.089 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.113 3.590 9.028 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.664 2.382 7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.895 5.846 8.302 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.739 2.902 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.758 7.579 6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.612 4.647 3.707 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.102 6.983 4.284 1.00 0.00 H new ATOM 81 N GLU A 5 -3.135 0.163 8.825 1.00 0.00 N ATOM 82 CA GLU A 5 -3.120 -1.023 9.692 1.00 0.00 C ATOM 83 C GLU A 5 -1.820 -1.808 9.458 1.00 0.00 C ATOM 84 O GLU A 5 -1.649 -2.408 8.390 1.00 0.00 O ATOM 85 CB GLU A 5 -4.355 -1.928 9.434 1.00 0.00 C ATOM 86 CG GLU A 5 -5.698 -1.333 9.874 1.00 0.00 C ATOM 87 CD GLU A 5 -6.858 -2.333 9.741 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.192 -2.722 8.604 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.442 -2.734 10.772 1.00 0.00 O ATOM 0 H GLU A 5 -3.478 -0.020 7.882 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.166 -0.695 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.406 -2.152 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.207 -2.875 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.624 -1.004 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.914 -0.449 9.274 1.00 0.00 H new ATOM 96 N ILE A 6 -0.914 -1.797 10.463 1.00 0.00 N ATOM 97 CA ILE A 6 0.393 -2.483 10.385 1.00 0.00 C ATOM 98 C ILE A 6 0.296 -3.834 11.094 1.00 0.00 C ATOM 99 O ILE A 6 -0.157 -3.911 12.226 1.00 0.00 O ATOM 100 CB ILE A 6 1.579 -1.667 11.032 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.740 -0.248 10.404 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.923 -2.451 10.918 1.00 0.00 C ATOM 103 CD1 ILE A 6 0.868 0.836 11.002 1.00 0.00 C ATOM 0 H ILE A 6 -1.069 -1.313 11.347 1.00 0.00 H new ATOM 0 HA ILE A 6 0.618 -2.595 9.324 1.00 0.00 H new ATOM 0 HB ILE A 6 1.326 -1.536 12.084 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.782 0.056 10.500 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.524 -0.316 9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.724 -1.867 11.371 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.832 -3.406 11.436 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.153 -2.628 9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.060 1.780 10.492 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.181 0.566 10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.097 0.943 12.062 1.00 0.00 H new ATOM 115 N TYR A 7 0.746 -4.883 10.430 1.00 0.00 N ATOM 116 CA TYR A 7 0.721 -6.244 10.976 1.00 0.00 C ATOM 117 C TYR A 7 1.964 -7.033 10.507 1.00 0.00 C ATOM 118 O TYR A 7 2.808 -6.503 9.796 1.00 0.00 O ATOM 119 CB TYR A 7 -0.608 -6.942 10.579 1.00 0.00 C ATOM 120 CG TYR A 7 -0.802 -7.088 9.060 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.313 -6.032 8.296 1.00 0.00 C ATOM 122 CD2 TYR A 7 -0.435 -8.258 8.387 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.459 -6.144 6.932 1.00 0.00 C ATOM 124 CE2 TYR A 7 -0.576 -8.369 7.022 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.085 -7.314 6.298 1.00 0.00 C ATOM 126 OH TYR A 7 -1.222 -7.435 4.934 1.00 0.00 O ATOM 0 H TYR A 7 1.142 -4.823 9.492 1.00 0.00 H new ATOM 0 HA TYR A 7 0.761 -6.206 12.065 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.639 -7.931 11.037 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.443 -6.374 10.990 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.598 -5.113 8.786 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.034 -9.089 8.948 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.864 -5.322 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.288 -9.281 6.520 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.507 -6.577 4.556 1.00 0.00 H new ATOM 136 N GLN A 8 2.086 -8.285 10.958 1.00 0.00 N ATOM 137 CA GLN A 8 3.056 -9.257 10.396 1.00 0.00 C ATOM 138 C GLN A 8 2.270 -10.475 9.878 1.00 0.00 C ATOM 139 O GLN A 8 1.212 -10.813 10.433 1.00 0.00 O ATOM 140 CB GLN A 8 4.144 -9.654 11.438 1.00 0.00 C ATOM 141 CG GLN A 8 3.721 -10.691 12.494 1.00 0.00 C ATOM 142 CD GLN A 8 4.718 -10.805 13.655 1.00 0.00 C ATOM 143 OE1 GLN A 8 5.771 -11.589 13.472 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 4.570 -10.148 14.688 1.00 0.00 N flip ATOM 0 H GLN A 8 1.522 -8.662 11.720 1.00 0.00 H new ATOM 0 HA GLN A 8 3.599 -8.802 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.008 -10.044 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.471 -8.751 11.954 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.742 -10.421 12.889 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.615 -11.665 12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.749 -9.553 14.801 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.268 -10.199 15.430 1.00 0.00 H new ATOM 153 N ASP A 9 2.755 -11.107 8.799 1.00 0.00 N ATOM 154 CA ASP A 9 2.031 -12.197 8.116 1.00 0.00 C ATOM 155 C ASP A 9 2.630 -13.558 8.532 1.00 0.00 C ATOM 156 O ASP A 9 3.544 -13.587 9.357 1.00 0.00 O ATOM 157 CB ASP A 9 2.111 -11.960 6.574 1.00 0.00 C ATOM 158 CG ASP A 9 0.915 -12.528 5.783 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.089 -11.801 5.611 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.967 -13.694 5.342 1.00 0.00 O ATOM 0 H ASP A 9 3.655 -10.881 8.375 1.00 0.00 H new ATOM 0 HA ASP A 9 0.980 -12.207 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.181 -10.889 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.029 -12.410 6.196 1.00 0.00 H new ATOM 165 N LYS A 10 2.114 -14.652 7.923 1.00 0.00 N ATOM 166 CA LYS A 10 2.460 -16.075 8.201 1.00 0.00 C ATOM 167 C LYS A 10 3.977 -16.344 8.399 1.00 0.00 C ATOM 168 O LYS A 10 4.370 -17.153 9.240 1.00 0.00 O ATOM 169 CB LYS A 10 1.923 -16.962 7.036 1.00 0.00 C ATOM 170 CG LYS A 10 2.676 -16.781 5.689 1.00 0.00 C ATOM 171 CD LYS A 10 2.096 -17.629 4.534 1.00 0.00 C ATOM 172 CE LYS A 10 0.786 -17.053 3.979 1.00 0.00 C ATOM 173 NZ LYS A 10 0.997 -15.732 3.333 1.00 0.00 N ATOM 0 H LYS A 10 1.411 -14.567 7.189 1.00 0.00 H new ATOM 0 HA LYS A 10 1.988 -16.326 9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.985 -18.008 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.868 -16.737 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.647 -15.729 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.724 -17.044 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.830 -17.692 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.921 -18.645 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.361 -17.748 3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.062 -16.951 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.241 -15.560 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.980 -14.985 4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.918 -15.725 2.850 1.00 0.00 H new ATOM 187 N ALA A 11 4.810 -15.644 7.611 1.00 0.00 N ATOM 188 CA ALA A 11 6.273 -15.850 7.568 1.00 0.00 C ATOM 189 C ALA A 11 7.001 -14.798 8.441 1.00 0.00 C ATOM 190 O ALA A 11 8.209 -14.590 8.307 1.00 0.00 O ATOM 191 CB ALA A 11 6.724 -15.773 6.103 1.00 0.00 C ATOM 0 H ALA A 11 4.487 -14.912 6.979 1.00 0.00 H new ATOM 0 HA ALA A 11 6.527 -16.828 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.802 -15.922 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.219 -16.548 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.471 -14.794 5.695 1.00 0.00 H new ATOM 197 N GLY A 12 6.237 -14.179 9.359 1.00 0.00 N ATOM 198 CA GLY A 12 6.681 -13.012 10.125 1.00 0.00 C ATOM 199 C GLY A 12 6.883 -11.795 9.232 1.00 0.00 C ATOM 200 O GLY A 12 7.721 -10.934 9.526 1.00 0.00 O ATOM 0 H GLY A 12 5.290 -14.480 9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.945 -12.780 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.614 -13.246 10.637 1.00 0.00 H new ATOM 204 N GLU A 13 6.089 -11.718 8.142 1.00 0.00 N ATOM 205 CA GLU A 13 6.259 -10.690 7.093 1.00 0.00 C ATOM 206 C GLU A 13 5.617 -9.380 7.538 1.00 0.00 C ATOM 207 O GLU A 13 4.401 -9.211 7.396 1.00 0.00 O ATOM 208 CB GLU A 13 5.628 -11.158 5.759 1.00 0.00 C ATOM 209 CG GLU A 13 6.329 -12.328 5.067 1.00 0.00 C ATOM 210 CD GLU A 13 5.472 -12.921 3.935 1.00 0.00 C ATOM 211 OE1 GLU A 13 4.566 -13.731 4.234 1.00 0.00 O ATOM 212 OE2 GLU A 13 5.667 -12.545 2.755 1.00 0.00 O ATOM 0 H GLU A 13 5.318 -12.362 7.965 1.00 0.00 H new ATOM 0 HA GLU A 13 7.326 -10.533 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.592 -11.440 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.608 -10.312 5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.283 -11.991 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.550 -13.104 5.800 1.00 0.00 H new ATOM 219 N TYR A 14 6.415 -8.519 8.179 1.00 0.00 N ATOM 220 CA TYR A 14 5.993 -7.158 8.519 1.00 0.00 C ATOM 221 C TYR A 14 5.508 -6.374 7.284 1.00 0.00 C ATOM 222 O TYR A 14 6.281 -5.943 6.417 1.00 0.00 O ATOM 223 CB TYR A 14 7.089 -6.415 9.308 1.00 0.00 C ATOM 224 CG TYR A 14 7.196 -6.909 10.758 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.344 -6.405 11.743 1.00 0.00 C ATOM 226 CD2 TYR A 14 8.113 -7.887 11.138 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.413 -6.850 13.047 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.176 -8.337 12.444 1.00 0.00 C ATOM 229 CZ TYR A 14 7.326 -7.815 13.392 1.00 0.00 C ATOM 230 OH TYR A 14 7.381 -8.267 14.692 1.00 0.00 O ATOM 0 H TYR A 14 7.365 -8.745 8.474 1.00 0.00 H new ATOM 0 HA TYR A 14 5.128 -7.236 9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.048 -6.550 8.808 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.875 -5.346 9.305 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.617 -5.652 11.479 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.785 -8.300 10.401 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.750 -6.440 13.795 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.892 -9.097 12.720 1.00 0.00 H new ATOM 0 HH TYR A 14 8.079 -8.950 14.772 1.00 0.00 H new ATOM 240 N ARG A 15 4.187 -6.224 7.280 1.00 0.00 N ATOM 241 CA ARG A 15 3.384 -5.619 6.232 1.00 0.00 C ATOM 242 C ARG A 15 2.507 -4.532 6.857 1.00 0.00 C ATOM 243 O ARG A 15 2.493 -4.338 8.076 1.00 0.00 O ATOM 244 CB ARG A 15 2.482 -6.688 5.568 1.00 0.00 C ATOM 245 CG ARG A 15 3.208 -7.827 4.820 1.00 0.00 C ATOM 246 CD ARG A 15 2.242 -8.978 4.510 1.00 0.00 C ATOM 247 NE ARG A 15 2.843 -10.042 3.688 1.00 0.00 N ATOM 248 CZ ARG A 15 2.156 -10.904 2.913 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.842 -10.794 2.760 1.00 0.00 N ATOM 250 NH2 ARG A 15 2.790 -11.875 2.293 1.00 0.00 N ATOM 0 H ARG A 15 3.615 -6.544 8.062 1.00 0.00 H new ATOM 0 HA ARG A 15 4.037 -5.189 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.853 -7.132 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.817 -6.186 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.635 -7.445 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.037 -8.195 5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.889 -9.409 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.368 -8.580 3.994 1.00 0.00 H new ATOM 0 HE ARG A 15 3.859 -10.134 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.334 -10.047 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.340 -11.457 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.800 -11.974 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.272 -12.529 1.706 1.00 0.00 H new ATOM 264 N PHE A 16 1.797 -3.820 5.988 1.00 0.00 N ATOM 265 CA PHE A 16 0.843 -2.785 6.374 1.00 0.00 C ATOM 266 C PHE A 16 -0.070 -2.482 5.191 1.00 0.00 C ATOM 267 O PHE A 16 0.190 -2.931 4.056 1.00 0.00 O ATOM 268 CB PHE A 16 1.553 -1.503 6.914 1.00 0.00 C ATOM 269 CG PHE A 16 2.701 -0.950 6.049 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.940 -1.595 5.996 1.00 0.00 C ATOM 271 CD2 PHE A 16 2.556 0.225 5.325 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.981 -1.094 5.240 1.00 0.00 C ATOM 273 CE2 PHE A 16 3.601 0.726 4.576 1.00 0.00 C ATOM 274 CZ PHE A 16 4.810 0.070 4.534 1.00 0.00 C ATOM 0 H PHE A 16 1.869 -3.948 4.979 1.00 0.00 H new ATOM 0 HA PHE A 16 0.237 -3.155 7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.804 -0.720 7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.946 -1.721 7.907 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.086 -2.505 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.614 0.753 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.926 -1.616 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.469 1.641 4.018 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.623 0.471 3.946 1.00 0.00 H new ATOM 284 N ARG A 17 -1.155 -1.768 5.486 1.00 0.00 N ATOM 285 CA ARG A 17 -2.169 -1.395 4.497 1.00 0.00 C ATOM 286 C ARG A 17 -2.730 -0.008 4.775 1.00 0.00 C ATOM 287 O ARG A 17 -2.462 0.576 5.825 1.00 0.00 O ATOM 288 CB ARG A 17 -3.309 -2.441 4.513 1.00 0.00 C ATOM 289 CG ARG A 17 -4.066 -2.574 5.846 1.00 0.00 C ATOM 290 CD ARG A 17 -5.054 -3.747 5.833 1.00 0.00 C ATOM 291 NE ARG A 17 -4.383 -5.005 5.452 1.00 0.00 N ATOM 292 CZ ARG A 17 -4.884 -6.227 5.616 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.054 -6.422 6.206 1.00 0.00 N ATOM 294 NH2 ARG A 17 -4.191 -7.269 5.195 1.00 0.00 N ATOM 0 H ARG A 17 -1.358 -1.428 6.426 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.701 -1.373 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.025 -2.184 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.890 -3.413 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.351 -2.712 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.605 -1.649 6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.506 -3.857 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.863 -3.537 5.133 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.458 -4.932 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.592 -5.625 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.416 -7.369 6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.283 -7.132 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.563 -8.211 5.314 1.00 0.00 H new ATOM 308 N PHE A 18 -3.527 0.493 3.822 1.00 0.00 N ATOM 309 CA PHE A 18 -4.310 1.725 3.983 1.00 0.00 C ATOM 310 C PHE A 18 -5.765 1.406 3.652 1.00 0.00 C ATOM 311 O PHE A 18 -6.068 0.711 2.664 1.00 0.00 O ATOM 312 CB PHE A 18 -3.776 2.867 3.086 1.00 0.00 C ATOM 313 CG PHE A 18 -4.533 4.194 3.175 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.797 4.787 4.406 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.949 4.857 2.022 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.463 5.985 4.482 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.615 6.062 2.092 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.874 6.625 3.323 1.00 0.00 C ATOM 0 H PHE A 18 -3.647 0.051 2.911 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.225 2.077 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.732 3.048 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.795 2.529 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.474 4.298 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.746 4.419 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.667 6.429 5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.932 6.561 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.398 7.567 3.385 1.00 0.00 H new ATOM 328 N LYS A 19 -6.644 1.908 4.505 1.00 0.00 N ATOM 329 CA LYS A 19 -8.077 1.660 4.448 1.00 0.00 C ATOM 330 C LYS A 19 -8.800 2.818 3.756 1.00 0.00 C ATOM 331 O LYS A 19 -8.182 3.792 3.310 1.00 0.00 O ATOM 332 CB LYS A 19 -8.600 1.456 5.899 1.00 0.00 C ATOM 333 CG LYS A 19 -7.987 0.231 6.616 1.00 0.00 C ATOM 334 CD LYS A 19 -8.372 -1.102 5.935 1.00 0.00 C ATOM 335 CE LYS A 19 -9.879 -1.410 6.040 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.252 -2.667 5.343 1.00 0.00 N ATOM 0 H LYS A 19 -6.373 2.516 5.278 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.276 0.763 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.385 2.352 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.684 1.345 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.901 0.328 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.321 0.216 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.085 -1.064 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.807 -1.915 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.159 -1.484 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.446 -0.581 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.259 -2.635 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.677 -2.771 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.082 -3.477 5.973 1.00 0.00 H new ATOM 350 N ALA A 20 -10.122 2.691 3.692 1.00 0.00 N ATOM 351 CA ALA A 20 -11.027 3.719 3.175 1.00 0.00 C ATOM 352 C ALA A 20 -12.216 3.845 4.137 1.00 0.00 C ATOM 353 O ALA A 20 -12.438 2.946 4.957 1.00 0.00 O ATOM 354 CB ALA A 20 -11.473 3.385 1.750 1.00 0.00 C ATOM 0 H ALA A 20 -10.608 1.851 4.005 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.514 4.679 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.145 4.163 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.600 3.327 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.992 2.427 1.746 1.00 0.00 H new ATOM 360 N SER A 21 -12.948 4.971 4.040 1.00 0.00 N ATOM 361 CA SER A 21 -14.106 5.314 4.911 1.00 0.00 C ATOM 362 C SER A 21 -15.140 4.164 5.091 1.00 0.00 C ATOM 363 O SER A 21 -15.773 4.055 6.147 1.00 0.00 O ATOM 364 CB SER A 21 -14.809 6.569 4.341 1.00 0.00 C ATOM 365 OG SER A 21 -13.882 7.624 4.138 1.00 0.00 O ATOM 0 H SER A 21 -12.753 5.688 3.341 1.00 0.00 H new ATOM 0 HA SER A 21 -13.701 5.501 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.295 6.321 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.591 6.895 5.027 1.00 0.00 H new ATOM 0 HG SER A 21 -14.350 8.405 3.776 1.00 0.00 H new ATOM 371 N ASN A 22 -15.280 3.305 4.065 1.00 0.00 N ATOM 372 CA ASN A 22 -16.263 2.189 4.054 1.00 0.00 C ATOM 373 C ASN A 22 -15.718 0.914 4.743 1.00 0.00 C ATOM 374 O ASN A 22 -16.401 -0.117 4.760 1.00 0.00 O ATOM 375 CB ASN A 22 -16.659 1.856 2.591 1.00 0.00 C ATOM 376 CG ASN A 22 -17.257 3.032 1.822 1.00 0.00 C ATOM 377 OD1 ASN A 22 -17.939 3.882 2.389 1.00 0.00 O ATOM 378 ND2 ASN A 22 -16.977 3.101 0.530 1.00 0.00 N ATOM 0 H ASN A 22 -14.717 3.359 3.216 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.135 2.520 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.777 1.500 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.379 1.037 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.331 3.878 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.407 2.377 0.092 1.00 0.00 H new ATOM 385 N GLY A 23 -14.506 0.995 5.311 1.00 0.00 N ATOM 386 CA GLY A 23 -13.804 -0.173 5.859 1.00 0.00 C ATOM 387 C GLY A 23 -13.301 -1.121 4.776 1.00 0.00 C ATOM 388 O GLY A 23 -13.193 -2.332 4.995 1.00 0.00 O ATOM 0 H GLY A 23 -13.987 1.868 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.960 0.165 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.475 -0.714 6.527 1.00 0.00 H new ATOM 392 N GLU A 24 -12.983 -0.551 3.605 1.00 0.00 N ATOM 393 CA GLU A 24 -12.427 -1.293 2.456 1.00 0.00 C ATOM 394 C GLU A 24 -10.936 -0.961 2.318 1.00 0.00 C ATOM 395 O GLU A 24 -10.523 0.165 2.605 1.00 0.00 O ATOM 396 CB GLU A 24 -13.206 -0.955 1.155 1.00 0.00 C ATOM 397 CG GLU A 24 -13.308 0.537 0.825 1.00 0.00 C ATOM 398 CD GLU A 24 -14.055 0.826 -0.483 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.293 0.670 -0.512 1.00 0.00 O ATOM 400 OE2 GLU A 24 -13.412 1.203 -1.490 1.00 0.00 O ATOM 0 H GLU A 24 -13.104 0.445 3.424 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.535 -2.364 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.724 -1.463 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.214 -1.362 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.815 1.048 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.304 0.956 0.761 1.00 0.00 H new ATOM 407 N THR A 25 -10.124 -1.957 1.932 1.00 0.00 N ATOM 408 CA THR A 25 -8.676 -1.781 1.719 1.00 0.00 C ATOM 409 C THR A 25 -8.390 -1.602 0.217 1.00 0.00 C ATOM 410 O THR A 25 -9.003 -2.255 -0.636 1.00 0.00 O ATOM 411 CB THR A 25 -7.875 -3.005 2.285 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.205 -3.229 3.659 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.351 -2.834 2.166 1.00 0.00 C ATOM 0 H THR A 25 -10.451 -2.907 1.758 1.00 0.00 H new ATOM 0 HA THR A 25 -8.351 -0.889 2.254 1.00 0.00 H new ATOM 0 HB THR A 25 -8.166 -3.861 1.677 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.725 -4.056 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.853 -3.713 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.079 -2.717 1.117 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.040 -1.950 2.722 1.00 0.00 H new ATOM 421 N MET A 26 -7.451 -0.705 -0.082 1.00 0.00 N ATOM 422 CA MET A 26 -7.076 -0.340 -1.460 1.00 0.00 C ATOM 423 C MET A 26 -5.637 -0.771 -1.799 1.00 0.00 C ATOM 424 O MET A 26 -5.305 -0.910 -2.982 1.00 0.00 O ATOM 425 CB MET A 26 -7.354 1.169 -1.697 1.00 0.00 C ATOM 426 CG MET A 26 -6.895 2.112 -0.581 1.00 0.00 C ATOM 427 SD MET A 26 -5.111 2.150 -0.372 1.00 0.00 S ATOM 428 CE MET A 26 -4.583 2.626 -2.017 1.00 0.00 C ATOM 0 H MET A 26 -6.920 -0.202 0.629 1.00 0.00 H new ATOM 0 HA MET A 26 -7.701 -0.894 -2.161 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.866 1.468 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.426 1.304 -1.843 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.250 3.120 -0.797 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.357 1.806 0.357 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.494 2.640 -2.060 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.966 1.909 -2.744 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.968 3.619 -2.250 1.00 0.00 H new ATOM 438 N PHE A 27 -4.789 -0.965 -0.766 1.00 0.00 N ATOM 439 CA PHE A 27 -3.531 -1.731 -0.906 1.00 0.00 C ATOM 440 C PHE A 27 -3.011 -2.252 0.427 1.00 0.00 C ATOM 441 O PHE A 27 -3.390 -1.763 1.487 1.00 0.00 O ATOM 442 CB PHE A 27 -2.403 -0.977 -1.664 1.00 0.00 C ATOM 443 CG PHE A 27 -1.906 0.373 -1.160 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.286 0.932 0.051 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.067 1.112 -1.983 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.854 2.193 0.402 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.634 2.358 -1.627 1.00 0.00 C ATOM 448 CZ PHE A 27 -1.038 2.898 -0.438 1.00 0.00 C ATOM 0 H PHE A 27 -4.952 -0.602 0.173 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.810 -2.582 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.541 -1.643 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.744 -0.833 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.924 0.376 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.749 0.692 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.161 2.625 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.023 2.913 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.710 3.889 -0.160 1.00 0.00 H new ATOM 458 N SER A 28 -2.090 -3.213 0.308 1.00 0.00 N ATOM 459 CA SER A 28 -1.533 -3.961 1.436 1.00 0.00 C ATOM 460 C SER A 28 -0.318 -4.775 0.983 1.00 0.00 C ATOM 461 O SER A 28 -0.006 -4.826 -0.214 1.00 0.00 O ATOM 462 CB SER A 28 -2.621 -4.908 2.027 1.00 0.00 C ATOM 463 OG SER A 28 -2.204 -5.499 3.250 1.00 0.00 O ATOM 0 H SER A 28 -1.704 -3.497 -0.593 1.00 0.00 H new ATOM 0 HA SER A 28 -1.214 -3.258 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.541 -4.346 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.850 -5.692 1.305 1.00 0.00 H new ATOM 0 HG SER A 28 -1.555 -4.913 3.692 1.00 0.00 H new ATOM 469 N SER A 29 0.357 -5.397 1.967 1.00 0.00 N ATOM 470 CA SER A 29 1.308 -6.502 1.745 1.00 0.00 C ATOM 471 C SER A 29 2.508 -6.147 0.845 1.00 0.00 C ATOM 472 O SER A 29 2.675 -6.699 -0.247 1.00 0.00 O ATOM 473 CB SER A 29 0.554 -7.761 1.238 1.00 0.00 C ATOM 474 OG SER A 29 -0.502 -8.112 2.125 1.00 0.00 O ATOM 0 H SER A 29 0.256 -5.144 2.950 1.00 0.00 H new ATOM 0 HA SER A 29 1.757 -6.717 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.151 -7.572 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.250 -8.595 1.147 1.00 0.00 H new ATOM 0 HG SER A 29 -0.368 -7.664 2.986 1.00 0.00 H new ATOM 480 N GLU A 30 3.320 -5.185 1.307 1.00 0.00 N ATOM 481 CA GLU A 30 4.680 -4.970 0.782 1.00 0.00 C ATOM 482 C GLU A 30 5.616 -6.050 1.356 1.00 0.00 C ATOM 483 O GLU A 30 6.214 -6.813 0.591 1.00 0.00 O ATOM 484 CB GLU A 30 5.181 -3.518 1.103 1.00 0.00 C ATOM 485 CG GLU A 30 6.711 -3.263 1.123 1.00 0.00 C ATOM 486 CD GLU A 30 7.472 -3.664 -0.151 1.00 0.00 C ATOM 487 OE1 GLU A 30 7.299 -3.007 -1.188 1.00 0.00 O ATOM 488 OE2 GLU A 30 8.256 -4.631 -0.114 1.00 0.00 O ATOM 0 H GLU A 30 3.057 -4.537 2.050 1.00 0.00 H new ATOM 0 HA GLU A 30 4.675 -5.061 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.740 -2.843 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.783 -3.235 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.881 -2.202 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.140 -3.805 1.966 1.00 0.00 H new ATOM 495 N GLY A 31 5.713 -6.148 2.701 1.00 0.00 N ATOM 496 CA GLY A 31 6.741 -6.977 3.325 1.00 0.00 C ATOM 497 C GLY A 31 8.060 -6.224 3.351 1.00 0.00 C ATOM 498 O GLY A 31 9.056 -6.695 2.806 1.00 0.00 O ATOM 0 H GLY A 31 5.097 -5.667 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.442 -7.242 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.855 -7.910 2.773 1.00 0.00 H new ATOM 502 N TYR A 32 8.046 -5.021 3.966 1.00 0.00 N ATOM 503 CA TYR A 32 9.129 -4.028 3.828 1.00 0.00 C ATOM 504 C TYR A 32 10.378 -4.497 4.599 1.00 0.00 C ATOM 505 O TYR A 32 11.435 -4.721 3.993 1.00 0.00 O ATOM 506 CB TYR A 32 8.630 -2.633 4.310 1.00 0.00 C ATOM 507 CG TYR A 32 9.584 -1.463 4.040 1.00 0.00 C ATOM 508 CD1 TYR A 32 9.958 -1.131 2.735 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.083 -0.674 5.078 1.00 0.00 C ATOM 510 CE1 TYR A 32 10.791 -0.060 2.483 1.00 0.00 C ATOM 511 CE2 TYR A 32 10.918 0.393 4.825 1.00 0.00 C ATOM 512 CZ TYR A 32 11.268 0.698 3.530 1.00 0.00 C ATOM 513 OH TYR A 32 12.088 1.774 3.282 1.00 0.00 O ATOM 0 H TYR A 32 7.284 -4.713 4.570 1.00 0.00 H new ATOM 0 HA TYR A 32 9.412 -3.933 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.676 -2.421 3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.440 -2.685 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.589 -1.722 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.810 -0.904 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.068 0.183 1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.297 0.989 5.642 1.00 0.00 H new ATOM 0 HH TYR A 32 12.334 2.200 4.130 1.00 0.00 H new ATOM 523 N LYS A 33 10.228 -4.673 5.934 1.00 0.00 N ATOM 524 CA LYS A 33 11.299 -5.214 6.804 1.00 0.00 C ATOM 525 C LYS A 33 10.762 -5.529 8.215 1.00 0.00 C ATOM 526 O LYS A 33 10.575 -6.694 8.579 1.00 0.00 O ATOM 527 CB LYS A 33 12.523 -4.235 6.883 1.00 0.00 C ATOM 528 CG LYS A 33 13.715 -4.716 7.759 1.00 0.00 C ATOM 529 CD LYS A 33 14.302 -6.074 7.303 1.00 0.00 C ATOM 530 CE LYS A 33 14.809 -6.059 5.847 1.00 0.00 C ATOM 531 NZ LYS A 33 15.349 -7.377 5.430 1.00 0.00 N ATOM 0 H LYS A 33 9.369 -4.446 6.434 1.00 0.00 H new ATOM 0 HA LYS A 33 11.644 -6.145 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.888 -4.056 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.175 -3.277 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.502 -3.962 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.385 -4.800 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.124 -6.347 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.539 -6.846 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.993 -5.775 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.584 -5.300 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.678 -7.321 4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.145 -7.637 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.603 -8.097 5.505 1.00 0.00 H new ATOM 545 N ALA A 34 10.502 -4.471 8.991 1.00 0.00 N ATOM 546 CA ALA A 34 10.142 -4.567 10.421 1.00 0.00 C ATOM 547 C ALA A 34 9.000 -3.589 10.716 1.00 0.00 C ATOM 548 O ALA A 34 8.631 -2.809 9.832 1.00 0.00 O ATOM 549 CB ALA A 34 11.378 -4.276 11.286 1.00 0.00 C ATOM 0 H ALA A 34 10.534 -3.512 8.646 1.00 0.00 H new ATOM 0 HA ALA A 34 9.800 -5.574 10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.109 -4.347 12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.159 -5.002 11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.744 -3.272 11.072 1.00 0.00 H new ATOM 555 N LYS A 35 8.430 -3.627 11.939 1.00 0.00 N ATOM 556 CA LYS A 35 7.329 -2.725 12.341 1.00 0.00 C ATOM 557 C LYS A 35 7.810 -1.268 12.358 1.00 0.00 C ATOM 558 O LYS A 35 7.134 -0.390 11.835 1.00 0.00 O ATOM 559 CB LYS A 35 6.768 -3.167 13.735 1.00 0.00 C ATOM 560 CG LYS A 35 5.782 -2.197 14.442 1.00 0.00 C ATOM 561 CD LYS A 35 6.458 -1.147 15.365 1.00 0.00 C ATOM 562 CE LYS A 35 5.452 -0.173 15.992 1.00 0.00 C ATOM 563 NZ LYS A 35 4.506 -0.862 16.893 1.00 0.00 N ATOM 0 H LYS A 35 8.717 -4.278 12.670 1.00 0.00 H new ATOM 0 HA LYS A 35 6.520 -2.791 11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.266 -4.126 13.609 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.614 -3.335 14.402 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.201 -1.673 13.683 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.079 -2.783 15.034 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.001 -1.662 16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.193 -0.583 14.790 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.989 0.595 16.548 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.897 0.334 15.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.614 -0.329 16.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.320 -1.820 16.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.916 -0.923 17.847 1.00 0.00 H new ATOM 577 N ALA A 36 8.982 -1.026 12.977 1.00 0.00 N ATOM 578 CA ALA A 36 9.586 0.320 13.043 1.00 0.00 C ATOM 579 C ALA A 36 9.832 0.867 11.626 1.00 0.00 C ATOM 580 O ALA A 36 9.506 2.021 11.329 1.00 0.00 O ATOM 581 CB ALA A 36 10.885 0.290 13.867 1.00 0.00 C ATOM 0 H ALA A 36 9.532 -1.749 13.441 1.00 0.00 H new ATOM 0 HA ALA A 36 8.891 0.992 13.545 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.315 1.291 13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.666 -0.049 14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.595 -0.393 13.402 1.00 0.00 H new ATOM 587 N SER A 37 10.321 -0.023 10.742 1.00 0.00 N ATOM 588 CA SER A 37 10.603 0.290 9.330 1.00 0.00 C ATOM 589 C SER A 37 9.290 0.560 8.574 1.00 0.00 C ATOM 590 O SER A 37 9.261 1.340 7.620 1.00 0.00 O ATOM 591 CB SER A 37 11.347 -0.898 8.677 1.00 0.00 C ATOM 592 OG SER A 37 12.355 -1.403 9.538 1.00 0.00 O ATOM 0 H SER A 37 10.533 -0.989 10.991 1.00 0.00 H new ATOM 0 HA SER A 37 11.227 1.182 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.637 -1.690 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.794 -0.578 7.736 1.00 0.00 H new ATOM 0 HG SER A 37 12.810 -2.154 9.104 1.00 0.00 H new ATOM 598 N ALA A 38 8.215 -0.120 9.028 1.00 0.00 N ATOM 599 CA ALA A 38 6.869 -0.008 8.455 1.00 0.00 C ATOM 600 C ALA A 38 6.294 1.391 8.716 1.00 0.00 C ATOM 601 O ALA A 38 5.809 2.031 7.789 1.00 0.00 O ATOM 602 CB ALA A 38 5.940 -1.106 9.007 1.00 0.00 C ATOM 0 H ALA A 38 8.265 -0.769 9.813 1.00 0.00 H new ATOM 0 HA ALA A 38 6.940 -0.152 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.949 -1.000 8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.346 -2.086 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.867 -1.010 10.090 1.00 0.00 H new ATOM 608 N ILE A 39 6.358 1.859 9.984 1.00 0.00 N ATOM 609 CA ILE A 39 5.943 3.230 10.369 1.00 0.00 C ATOM 610 C ILE A 39 6.743 4.294 9.585 1.00 0.00 C ATOM 611 O ILE A 39 6.148 5.236 9.068 1.00 0.00 O ATOM 612 CB ILE A 39 6.063 3.463 11.944 1.00 0.00 C ATOM 613 CG1 ILE A 39 4.831 2.848 12.715 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.237 4.960 12.320 1.00 0.00 C ATOM 615 CD1 ILE A 39 4.635 1.345 12.575 1.00 0.00 C ATOM 0 H ILE A 39 6.697 1.300 10.767 1.00 0.00 H new ATOM 0 HA ILE A 39 4.891 3.338 10.105 1.00 0.00 H new ATOM 0 HB ILE A 39 6.968 2.942 12.255 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.937 3.083 13.774 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.926 3.346 12.367 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.313 5.057 13.403 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.144 5.349 11.856 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.376 5.527 11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.760 1.037 13.147 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.489 1.093 11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.516 0.826 12.953 1.00 0.00 H new ATOM 627 N HIS A 40 8.080 4.118 9.492 1.00 0.00 N ATOM 628 CA HIS A 40 8.973 5.055 8.758 1.00 0.00 C ATOM 629 C HIS A 40 8.580 5.141 7.265 1.00 0.00 C ATOM 630 O HIS A 40 8.574 6.235 6.656 1.00 0.00 O ATOM 631 CB HIS A 40 10.465 4.651 8.905 1.00 0.00 C ATOM 632 CG HIS A 40 11.050 4.831 10.280 1.00 0.00 C ATOM 633 ND1 HIS A 40 10.992 6.017 10.978 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.723 3.970 11.079 1.00 0.00 C ATOM 635 CE1 HIS A 40 11.606 5.879 12.134 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.056 4.644 12.220 1.00 0.00 N ATOM 0 H HIS A 40 8.571 3.332 9.918 1.00 0.00 H new ATOM 0 HA HIS A 40 8.847 6.041 9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.571 3.605 8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.054 5.236 8.199 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.542 6.871 10.649 1.00 0.00 H new ATOM 0 HD2 HIS A 40 11.954 2.939 10.855 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.721 6.647 12.884 1.00 0.00 H new ATOM 645 N ALA A 41 8.233 3.981 6.685 1.00 0.00 N ATOM 646 CA ALA A 41 7.685 3.903 5.331 1.00 0.00 C ATOM 647 C ALA A 41 6.417 4.769 5.233 1.00 0.00 C ATOM 648 O ALA A 41 6.347 5.672 4.409 1.00 0.00 O ATOM 649 CB ALA A 41 7.404 2.434 4.965 1.00 0.00 C ATOM 0 H ALA A 41 8.326 3.075 7.145 1.00 0.00 H new ATOM 0 HA ALA A 41 8.410 4.291 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.996 2.382 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.332 1.864 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.685 2.015 5.669 1.00 0.00 H new ATOM 655 N ILE A 42 5.456 4.521 6.132 1.00 0.00 N ATOM 656 CA ILE A 42 4.194 5.294 6.228 1.00 0.00 C ATOM 657 C ILE A 42 4.451 6.804 6.454 1.00 0.00 C ATOM 658 O ILE A 42 3.654 7.642 6.032 1.00 0.00 O ATOM 659 CB ILE A 42 3.287 4.722 7.373 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.963 3.230 7.080 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.982 5.546 7.555 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.408 2.470 8.249 1.00 0.00 C ATOM 0 H ILE A 42 5.525 3.774 6.823 1.00 0.00 H new ATOM 0 HA ILE A 42 3.678 5.189 5.274 1.00 0.00 H new ATOM 0 HB ILE A 42 3.837 4.798 8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.247 3.182 6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.872 2.734 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.387 5.112 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.234 6.576 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.408 5.528 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.212 1.439 7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.129 2.482 9.066 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.479 2.936 8.578 1.00 0.00 H new ATOM 674 N GLU A 43 5.588 7.142 7.083 1.00 0.00 N ATOM 675 CA GLU A 43 5.987 8.545 7.305 1.00 0.00 C ATOM 676 C GLU A 43 6.202 9.272 5.970 1.00 0.00 C ATOM 677 O GLU A 43 5.942 10.477 5.886 1.00 0.00 O ATOM 678 CB GLU A 43 7.222 8.654 8.229 1.00 0.00 C ATOM 679 CG GLU A 43 6.892 8.324 9.699 1.00 0.00 C ATOM 680 CD GLU A 43 8.087 8.414 10.654 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.612 9.524 10.865 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.514 7.379 11.191 1.00 0.00 O ATOM 0 H GLU A 43 6.252 6.460 7.449 1.00 0.00 H new ATOM 0 HA GLU A 43 5.168 9.044 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.998 7.976 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.628 9.664 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.114 9.005 10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.479 7.317 9.748 1.00 0.00 H new ATOM 689 N SER A 44 6.634 8.531 4.919 1.00 0.00 N ATOM 690 CA SER A 44 6.647 9.066 3.533 1.00 0.00 C ATOM 691 C SER A 44 5.266 9.585 3.093 1.00 0.00 C ATOM 692 O SER A 44 5.175 10.618 2.411 1.00 0.00 O ATOM 693 CB SER A 44 7.118 8.001 2.522 1.00 0.00 C ATOM 694 OG SER A 44 8.531 7.861 2.526 1.00 0.00 O ATOM 0 H SER A 44 6.974 7.573 5.002 1.00 0.00 H new ATOM 0 HA SER A 44 7.349 9.900 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.657 7.043 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.782 8.275 1.522 1.00 0.00 H new ATOM 0 HG SER A 44 8.835 7.589 1.635 1.00 0.00 H new ATOM 700 N ILE A 45 4.205 8.854 3.486 1.00 0.00 N ATOM 701 CA ILE A 45 2.835 9.162 3.049 1.00 0.00 C ATOM 702 C ILE A 45 2.383 10.475 3.687 1.00 0.00 C ATOM 703 O ILE A 45 1.855 11.367 3.011 1.00 0.00 O ATOM 704 CB ILE A 45 1.765 8.032 3.391 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.360 6.609 3.232 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.554 8.178 2.450 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.768 6.278 1.827 1.00 0.00 C ATOM 0 H ILE A 45 4.273 8.047 4.105 1.00 0.00 H new ATOM 0 HA ILE A 45 2.877 9.232 1.962 1.00 0.00 H new ATOM 0 HB ILE A 45 1.463 8.159 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.228 6.513 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.625 5.878 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.181 7.407 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.103 9.161 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.882 8.070 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.175 5.267 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.899 6.341 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.527 6.985 1.492 1.00 0.00 H new ATOM 719 N LYS A 46 2.640 10.573 5.003 1.00 0.00 N ATOM 720 CA LYS A 46 2.195 11.704 5.860 1.00 0.00 C ATOM 721 C LYS A 46 2.728 13.056 5.374 1.00 0.00 C ATOM 722 O LYS A 46 2.122 14.101 5.620 1.00 0.00 O ATOM 723 CB LYS A 46 2.598 11.479 7.363 1.00 0.00 C ATOM 724 CG LYS A 46 2.508 10.019 7.901 1.00 0.00 C ATOM 725 CD LYS A 46 1.247 9.237 7.446 1.00 0.00 C ATOM 726 CE LYS A 46 -0.057 9.936 7.790 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.242 10.057 9.236 1.00 0.00 N ATOM 0 H LYS A 46 3.168 9.865 5.514 1.00 0.00 H new ATOM 0 HA LYS A 46 1.108 11.730 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.622 11.828 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.962 12.110 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.394 9.472 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.529 10.046 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.294 9.083 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.254 8.250 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.068 10.928 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.891 9.381 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.222 9.811 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.411 9.411 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.047 11.035 9.530 1.00 0.00 H new ATOM 741 N ARG A 47 3.864 12.985 4.692 1.00 0.00 N ATOM 742 CA ARG A 47 4.574 14.155 4.147 1.00 0.00 C ATOM 743 C ARG A 47 3.722 14.932 3.114 1.00 0.00 C ATOM 744 O ARG A 47 3.426 16.119 3.315 1.00 0.00 O ATOM 745 CB ARG A 47 5.913 13.721 3.512 1.00 0.00 C ATOM 746 CG ARG A 47 6.973 13.272 4.527 1.00 0.00 C ATOM 747 CD ARG A 47 8.363 13.145 3.900 1.00 0.00 C ATOM 748 NE ARG A 47 8.511 11.964 3.021 1.00 0.00 N ATOM 749 CZ ARG A 47 9.647 11.607 2.393 1.00 0.00 C ATOM 750 NH1 ARG A 47 10.698 12.416 2.370 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.712 10.455 1.744 1.00 0.00 N ATOM 0 H ARG A 47 4.333 12.101 4.494 1.00 0.00 H new ATOM 0 HA ARG A 47 4.768 14.830 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.724 12.904 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.312 14.551 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.012 13.987 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.681 12.312 4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.576 14.045 3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.107 13.092 4.695 1.00 0.00 H new ATOM 0 HE ARG A 47 7.690 11.376 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.653 13.324 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.551 12.130 1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.901 9.837 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.573 10.185 1.268 1.00 0.00 H new ATOM 765 N ASN A 48 3.308 14.231 2.037 1.00 0.00 N ATOM 766 CA ASN A 48 2.748 14.896 0.823 1.00 0.00 C ATOM 767 C ASN A 48 2.210 13.883 -0.216 1.00 0.00 C ATOM 768 O ASN A 48 2.005 14.232 -1.374 1.00 0.00 O ATOM 769 CB ASN A 48 3.822 15.847 0.197 1.00 0.00 C ATOM 770 CG ASN A 48 3.275 16.851 -0.828 1.00 0.00 C ATOM 771 OD1 ASN A 48 3.335 16.636 -2.042 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.729 17.949 -0.338 1.00 0.00 N ATOM 0 H ASN A 48 3.347 13.214 1.975 1.00 0.00 H new ATOM 0 HA ASN A 48 1.888 15.489 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.310 16.399 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.589 15.239 -0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.341 18.651 -0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.696 18.096 0.671 1.00 0.00 H new ATOM 779 N SER A 49 1.954 12.631 0.194 1.00 0.00 N ATOM 780 CA SER A 49 1.503 11.570 -0.740 1.00 0.00 C ATOM 781 C SER A 49 0.111 11.875 -1.334 1.00 0.00 C ATOM 782 O SER A 49 -0.180 11.517 -2.482 1.00 0.00 O ATOM 783 CB SER A 49 1.476 10.232 -0.032 1.00 0.00 C ATOM 784 OG SER A 49 1.190 9.163 -0.903 1.00 0.00 O ATOM 0 H SER A 49 2.049 12.322 1.162 1.00 0.00 H new ATOM 0 HA SER A 49 2.215 11.537 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.440 10.058 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.728 10.260 0.761 1.00 0.00 H new ATOM 0 HG SER A 49 1.214 9.481 -1.830 1.00 0.00 H new ATOM 790 N ALA A 50 -0.746 12.524 -0.525 1.00 0.00 N ATOM 791 CA ALA A 50 -2.034 13.063 -0.991 1.00 0.00 C ATOM 792 C ALA A 50 -1.848 14.090 -2.137 1.00 0.00 C ATOM 793 O ALA A 50 -2.678 14.168 -3.048 1.00 0.00 O ATOM 794 CB ALA A 50 -2.811 13.669 0.190 1.00 0.00 C ATOM 0 H ALA A 50 -0.565 12.688 0.465 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.618 12.240 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.762 14.065 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.996 12.898 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.226 14.474 0.635 1.00 0.00 H new ATOM 800 N GLY A 51 -0.740 14.856 -2.075 1.00 0.00 N ATOM 801 CA GLY A 51 -0.375 15.826 -3.117 1.00 0.00 C ATOM 802 C GLY A 51 0.624 15.293 -4.158 1.00 0.00 C ATOM 803 O GLY A 51 0.988 16.026 -5.090 1.00 0.00 O ATOM 0 H GLY A 51 -0.077 14.817 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.281 16.147 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.051 16.709 -2.641 1.00 0.00 H new ATOM 807 N ALA A 52 1.068 14.029 -3.995 1.00 0.00 N ATOM 808 CA ALA A 52 2.020 13.368 -4.924 1.00 0.00 C ATOM 809 C ALA A 52 1.385 13.124 -6.304 1.00 0.00 C ATOM 810 O ALA A 52 0.168 13.200 -6.451 1.00 0.00 O ATOM 811 CB ALA A 52 2.510 12.041 -4.315 1.00 0.00 C ATOM 0 H ALA A 52 0.779 13.435 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 52 2.871 14.034 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.208 11.561 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.011 12.239 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.658 11.382 -4.145 1.00 0.00 H new ATOM 817 N ASP A 53 2.218 12.846 -7.320 1.00 0.00 N ATOM 818 CA ASP A 53 1.733 12.576 -8.690 1.00 0.00 C ATOM 819 C ASP A 53 1.439 11.071 -8.865 1.00 0.00 C ATOM 820 O ASP A 53 1.926 10.253 -8.093 1.00 0.00 O ATOM 821 CB ASP A 53 2.761 13.082 -9.737 1.00 0.00 C ATOM 822 CG ASP A 53 2.213 13.059 -11.182 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.082 13.562 -11.416 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.887 12.534 -12.086 1.00 0.00 O ATOM 0 H ASP A 53 3.232 12.802 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 53 0.802 13.119 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.059 14.099 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.658 12.465 -9.685 1.00 0.00 H new ATOM 829 N THR A 54 0.596 10.715 -9.847 1.00 0.00 N ATOM 830 CA THR A 54 0.271 9.307 -10.163 1.00 0.00 C ATOM 831 C THR A 54 0.672 8.978 -11.621 1.00 0.00 C ATOM 832 O THR A 54 0.009 9.403 -12.574 1.00 0.00 O ATOM 833 CB THR A 54 -1.245 9.040 -9.894 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.541 9.403 -8.525 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.651 7.569 -10.123 1.00 0.00 C ATOM 0 H THR A 54 0.119 11.390 -10.445 1.00 0.00 H new ATOM 0 HA THR A 54 0.844 8.644 -9.514 1.00 0.00 H new ATOM 0 HB THR A 54 -1.814 9.642 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.853 9.033 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.715 7.449 -9.920 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.446 7.292 -11.157 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.079 6.925 -9.454 1.00 0.00 H new ATOM 843 N VAL A 55 1.785 8.228 -11.761 1.00 0.00 N ATOM 844 CA VAL A 55 2.427 7.892 -13.057 1.00 0.00 C ATOM 845 C VAL A 55 2.242 6.386 -13.367 1.00 0.00 C ATOM 846 O VAL A 55 2.601 5.534 -12.545 1.00 0.00 O ATOM 847 CB VAL A 55 3.970 8.222 -13.032 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.609 8.094 -14.429 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.244 9.603 -12.402 1.00 0.00 C ATOM 0 H VAL A 55 2.276 7.829 -10.961 1.00 0.00 H new ATOM 0 HA VAL A 55 1.949 8.495 -13.829 1.00 0.00 H new ATOM 0 HB VAL A 55 4.447 7.476 -12.397 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.671 8.330 -14.366 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.485 7.074 -14.794 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.124 8.787 -15.116 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.317 9.796 -12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.736 10.374 -12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.873 9.616 -11.377 1.00 0.00 H new ATOM 859 N ASP A 56 1.693 6.077 -14.555 1.00 0.00 N ATOM 860 CA ASP A 56 1.435 4.689 -15.004 1.00 0.00 C ATOM 861 C ASP A 56 2.490 4.243 -16.045 1.00 0.00 C ATOM 862 O ASP A 56 2.686 4.904 -17.071 1.00 0.00 O ATOM 863 CB ASP A 56 0.008 4.573 -15.600 1.00 0.00 C ATOM 864 CG ASP A 56 -0.407 3.120 -15.935 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.110 2.551 -16.920 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.263 2.551 -15.229 1.00 0.00 O ATOM 0 H ASP A 56 1.413 6.783 -15.236 1.00 0.00 H new ATOM 0 HA ASP A 56 1.509 4.030 -14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.707 4.992 -14.893 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.048 5.176 -16.506 1.00 0.00 H new ATOM 871 N LEU A 57 3.148 3.113 -15.753 1.00 0.00 N ATOM 872 CA LEU A 57 4.162 2.468 -16.621 1.00 0.00 C ATOM 873 C LEU A 57 3.604 1.258 -17.425 1.00 0.00 C ATOM 874 O LEU A 57 4.157 0.911 -18.472 1.00 0.00 O ATOM 875 CB LEU A 57 5.345 1.981 -15.727 1.00 0.00 C ATOM 876 CG LEU A 57 5.871 3.014 -14.669 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.863 2.360 -13.684 1.00 0.00 C ATOM 878 CD2 LEU A 57 6.487 4.258 -15.352 1.00 0.00 C ATOM 0 H LEU A 57 2.991 2.602 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 57 4.485 3.211 -17.350 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.031 1.079 -15.202 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.174 1.700 -16.376 1.00 0.00 H new ATOM 0 HG LEU A 57 5.013 3.352 -14.088 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.207 3.104 -12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.367 1.547 -13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.717 1.966 -14.235 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.841 4.953 -14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.323 3.951 -15.981 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.731 4.747 -15.966 1.00 0.00 H new ATOM 890 N THR A 58 2.511 0.630 -16.953 1.00 0.00 N ATOM 891 CA THR A 58 2.071 -0.704 -17.455 1.00 0.00 C ATOM 892 C THR A 58 1.284 -0.645 -18.778 1.00 0.00 C ATOM 893 O THR A 58 1.314 -1.614 -19.553 1.00 0.00 O ATOM 894 CB THR A 58 1.243 -1.487 -16.383 1.00 0.00 C ATOM 895 OG1 THR A 58 0.688 -2.692 -16.919 1.00 0.00 O ATOM 896 CG2 THR A 58 0.124 -0.660 -15.738 1.00 0.00 C ATOM 0 H THR A 58 1.910 1.017 -16.225 1.00 0.00 H new ATOM 0 HA THR A 58 2.997 -1.241 -17.658 1.00 0.00 H new ATOM 0 HB THR A 58 1.963 -1.729 -15.601 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.142 -2.909 -16.445 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.405 -1.271 -15.006 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.554 0.210 -15.241 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.574 -0.330 -16.507 1.00 0.00 H new ATOM 904 N THR A 59 0.606 0.479 -19.055 1.00 0.00 N ATOM 905 CA THR A 59 -0.250 0.610 -20.251 1.00 0.00 C ATOM 906 C THR A 59 0.617 0.878 -21.491 1.00 0.00 C ATOM 907 O THR A 59 0.248 0.510 -22.616 1.00 0.00 O ATOM 908 CB THR A 59 -1.300 1.752 -20.076 1.00 0.00 C ATOM 909 OG1 THR A 59 -0.631 2.980 -19.750 1.00 0.00 O ATOM 910 CG2 THR A 59 -2.322 1.430 -18.973 1.00 0.00 C ATOM 0 H THR A 59 0.632 1.313 -18.468 1.00 0.00 H new ATOM 0 HA THR A 59 -0.791 -0.327 -20.383 1.00 0.00 H new ATOM 0 HB THR A 59 -1.837 1.849 -21.019 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.378 2.973 -18.803 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.033 2.251 -18.885 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.855 0.514 -19.227 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.803 1.297 -18.024 1.00 0.00 H new ATOM 961 N MET B 1 9.666 15.683 -7.557 1.00 0.00 N ATOM 962 CA MET B 1 8.831 15.176 -6.445 1.00 0.00 C ATOM 963 C MET B 1 8.622 13.661 -6.591 1.00 0.00 C ATOM 964 O MET B 1 8.707 13.121 -7.701 1.00 0.00 O ATOM 965 CB MET B 1 7.457 15.912 -6.403 1.00 0.00 C ATOM 966 CG MET B 1 6.582 15.562 -5.188 1.00 0.00 C ATOM 967 SD MET B 1 4.979 16.392 -5.205 1.00 0.00 S ATOM 968 CE MET B 1 5.480 18.106 -5.063 1.00 0.00 C ATOM 0 H1 MET B 1 10.653 15.767 -7.240 1.00 0.00 H new ATOM 0 H2 MET B 1 9.615 15.022 -8.359 1.00 0.00 H new ATOM 0 H3 MET B 1 9.318 16.616 -7.855 1.00 0.00 H new ATOM 0 HA MET B 1 9.350 15.372 -5.507 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.635 16.987 -6.409 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.905 15.676 -7.312 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.425 14.484 -5.159 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.114 15.831 -4.275 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.626 18.711 -4.759 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.270 18.194 -4.317 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.850 18.458 -6.026 1.00 0.00 H new ATOM 978 N TYR B 2 8.367 12.980 -5.462 1.00 0.00 N ATOM 979 CA TYR B 2 7.959 11.571 -5.449 1.00 0.00 C ATOM 980 C TYR B 2 6.531 11.387 -6.004 1.00 0.00 C ATOM 981 O TYR B 2 5.752 12.349 -6.103 1.00 0.00 O ATOM 982 CB TYR B 2 8.108 10.960 -4.032 1.00 0.00 C ATOM 983 CG TYR B 2 7.603 11.806 -2.841 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.315 12.351 -2.810 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.415 12.019 -1.723 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.870 13.069 -1.719 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.974 12.740 -0.641 1.00 0.00 C ATOM 988 CZ TYR B 2 6.704 13.257 -0.640 1.00 0.00 C ATOM 989 OH TYR B 2 6.263 13.955 0.447 1.00 0.00 O ATOM 0 H TYR B 2 8.439 13.394 -4.533 1.00 0.00 H new ATOM 0 HA TYR B 2 8.630 11.027 -6.113 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.579 10.007 -4.018 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.163 10.741 -3.868 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.658 12.207 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.413 11.607 -1.710 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.872 13.482 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.625 12.899 0.206 1.00 0.00 H new ATOM 0 HH TYR B 2 6.984 14.529 0.782 1.00 0.00 H new ATOM 999 N LYS B 3 6.198 10.129 -6.325 1.00 0.00 N ATOM 1000 CA LYS B 3 4.992 9.786 -7.079 1.00 0.00 C ATOM 1001 C LYS B 3 4.661 8.285 -6.972 1.00 0.00 C ATOM 1002 O LYS B 3 5.383 7.518 -6.324 1.00 0.00 O ATOM 1003 CB LYS B 3 5.108 10.281 -8.571 1.00 0.00 C ATOM 1004 CG LYS B 3 6.455 10.077 -9.307 1.00 0.00 C ATOM 1005 CD LYS B 3 6.754 8.607 -9.649 1.00 0.00 C ATOM 1006 CE LYS B 3 7.901 8.465 -10.653 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.168 9.040 -10.157 1.00 0.00 N ATOM 0 H LYS B 3 6.762 9.320 -6.066 1.00 0.00 H new ATOM 0 HA LYS B 3 4.148 10.312 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.333 9.778 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.878 11.346 -8.587 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.449 10.661 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.261 10.468 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.005 8.068 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.857 8.142 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.050 7.410 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.625 8.956 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.914 8.902 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.042 10.057 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.441 8.567 -9.272 1.00 0.00 H new ATOM 1021 N PHE B 4 3.544 7.895 -7.610 1.00 0.00 N ATOM 1022 CA PHE B 4 3.037 6.518 -7.631 1.00 0.00 C ATOM 1023 C PHE B 4 3.364 5.863 -8.981 1.00 0.00 C ATOM 1024 O PHE B 4 2.844 6.279 -10.011 1.00 0.00 O ATOM 1025 CB PHE B 4 1.506 6.507 -7.385 1.00 0.00 C ATOM 1026 CG PHE B 4 1.084 7.054 -6.022 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.016 6.212 -4.914 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.743 8.403 -5.847 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.622 6.693 -3.686 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.354 8.877 -4.617 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.294 8.023 -3.540 1.00 0.00 C ATOM 0 H PHE B 4 2.958 8.544 -8.135 1.00 0.00 H new ATOM 0 HA PHE B 4 3.520 5.950 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.020 7.093 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.142 5.484 -7.482 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.276 5.169 -5.020 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.787 9.078 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.570 6.028 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.096 9.919 -4.496 1.00 0.00 H new ATOM 0 HZ PHE B 4 -0.012 8.398 -2.574 1.00 0.00 H new ATOM 1041 N GLU B 5 4.216 4.835 -8.958 1.00 0.00 N ATOM 1042 CA GLU B 5 4.618 4.093 -10.169 1.00 0.00 C ATOM 1043 C GLU B 5 3.755 2.831 -10.291 1.00 0.00 C ATOM 1044 O GLU B 5 3.898 1.904 -9.487 1.00 0.00 O ATOM 1045 CB GLU B 5 6.128 3.740 -10.125 1.00 0.00 C ATOM 1046 CG GLU B 5 7.044 4.981 -10.124 1.00 0.00 C ATOM 1047 CD GLU B 5 8.561 4.703 -10.113 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.986 3.570 -10.374 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.338 5.638 -9.835 1.00 0.00 O ATOM 0 H GLU B 5 4.650 4.489 -8.102 1.00 0.00 H new ATOM 0 HA GLU B 5 4.460 4.719 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.330 3.147 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.374 3.116 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.811 5.580 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.800 5.587 -9.252 1.00 0.00 H new ATOM 1056 N ILE B 6 2.860 2.812 -11.298 1.00 0.00 N ATOM 1057 CA ILE B 6 1.919 1.699 -11.539 1.00 0.00 C ATOM 1058 C ILE B 6 2.482 0.801 -12.631 1.00 0.00 C ATOM 1059 O ILE B 6 2.866 1.281 -13.685 1.00 0.00 O ATOM 1060 CB ILE B 6 0.519 2.224 -12.003 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.040 3.360 -11.050 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.515 1.066 -12.105 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.090 4.187 -11.595 1.00 0.00 C ATOM 0 H ILE B 6 2.769 3.573 -11.971 1.00 0.00 H new ATOM 0 HA ILE B 6 1.795 1.151 -10.605 1.00 0.00 H new ATOM 0 HB ILE B 6 0.612 2.641 -13.006 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.272 2.918 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.883 4.016 -10.832 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.476 1.464 -12.429 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.165 0.328 -12.827 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.629 0.593 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.362 4.954 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.778 4.661 -12.525 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.951 3.546 -11.786 1.00 0.00 H new ATOM 1075 N TYR B 7 2.524 -0.494 -12.380 1.00 0.00 N ATOM 1076 CA TYR B 7 3.039 -1.475 -13.338 1.00 0.00 C ATOM 1077 C TYR B 7 2.229 -2.783 -13.246 1.00 0.00 C ATOM 1078 O TYR B 7 1.290 -2.883 -12.469 1.00 0.00 O ATOM 1079 CB TYR B 7 4.549 -1.703 -13.076 1.00 0.00 C ATOM 1080 CG TYR B 7 4.855 -2.266 -11.670 1.00 0.00 C ATOM 1081 CD1 TYR B 7 4.894 -1.423 -10.548 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.060 -3.633 -11.460 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.132 -1.928 -9.285 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.289 -4.136 -10.198 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.323 -3.283 -9.118 1.00 0.00 C ATOM 1086 OH TYR B 7 5.539 -3.795 -7.863 1.00 0.00 O ATOM 0 H TYR B 7 2.202 -0.905 -11.504 1.00 0.00 H new ATOM 0 HA TYR B 7 2.927 -1.099 -14.355 1.00 0.00 H new ATOM 0 HB2 TYR B 7 4.940 -2.390 -13.826 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.078 -0.758 -13.203 1.00 0.00 H new ATOM 0 HD1 TYR B 7 4.735 -0.362 -10.675 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.038 -4.308 -12.303 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.168 -1.265 -8.433 1.00 0.00 H new ATOM 0 HE2 TYR B 7 5.441 -5.196 -10.056 1.00 0.00 H new ATOM 0 HH TYR B 7 5.448 -3.081 -7.198 1.00 0.00 H new ATOM 1096 N GLN B 8 2.570 -3.759 -14.090 1.00 0.00 N ATOM 1097 CA GLN B 8 2.093 -5.155 -13.950 1.00 0.00 C ATOM 1098 C GLN B 8 3.319 -6.074 -13.808 1.00 0.00 C ATOM 1099 O GLN B 8 4.386 -5.782 -14.366 1.00 0.00 O ATOM 1100 CB GLN B 8 1.182 -5.573 -15.138 1.00 0.00 C ATOM 1101 CG GLN B 8 1.910 -5.900 -16.450 1.00 0.00 C ATOM 1102 CD GLN B 8 0.966 -5.993 -17.649 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.356 -7.147 -17.843 1.00 0.00 O flip ATOM 1104 NE2 GLN B 8 0.745 -5.018 -18.366 1.00 0.00 N flip ATOM 0 H GLN B 8 3.183 -3.614 -14.892 1.00 0.00 H new ATOM 0 HA GLN B 8 1.473 -5.243 -13.058 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.602 -6.446 -14.838 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.472 -4.768 -15.328 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.660 -5.133 -16.644 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.441 -6.845 -16.339 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.231 -4.138 -18.194 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.076 -5.090 -19.133 1.00 0.00 H new ATOM 1113 N ASP B 9 3.187 -7.159 -13.029 1.00 0.00 N ATOM 1114 CA ASP B 9 4.317 -8.043 -12.692 1.00 0.00 C ATOM 1115 C ASP B 9 4.270 -9.313 -13.574 1.00 0.00 C ATOM 1116 O ASP B 9 3.389 -9.418 -14.424 1.00 0.00 O ATOM 1117 CB ASP B 9 4.259 -8.366 -11.171 1.00 0.00 C ATOM 1118 CG ASP B 9 5.602 -8.817 -10.580 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.449 -7.948 -10.289 1.00 0.00 O ATOM 1120 OD2 ASP B 9 5.836 -10.035 -10.436 1.00 0.00 O ATOM 0 H ASP B 9 2.300 -7.448 -12.616 1.00 0.00 H new ATOM 0 HA ASP B 9 5.269 -7.554 -12.896 1.00 0.00 H new ATOM 0 HB2 ASP B 9 3.916 -7.482 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.518 -9.148 -11.003 1.00 0.00 H new ATOM 1125 N LYS B 10 5.216 -10.253 -13.333 1.00 0.00 N ATOM 1126 CA LYS B 10 5.431 -11.525 -14.082 1.00 0.00 C ATOM 1127 C LYS B 10 4.130 -12.284 -14.457 1.00 0.00 C ATOM 1128 O LYS B 10 4.018 -12.841 -15.554 1.00 0.00 O ATOM 1129 CB LYS B 10 6.336 -12.446 -13.218 1.00 0.00 C ATOM 1130 CG LYS B 10 6.777 -13.764 -13.896 1.00 0.00 C ATOM 1131 CD LYS B 10 7.476 -14.739 -12.920 1.00 0.00 C ATOM 1132 CE LYS B 10 8.768 -14.161 -12.326 1.00 0.00 C ATOM 1133 NZ LYS B 10 9.818 -13.946 -13.357 1.00 0.00 N ATOM 0 H LYS B 10 5.887 -10.143 -12.572 1.00 0.00 H new ATOM 0 HA LYS B 10 5.896 -11.259 -15.031 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.228 -11.887 -12.933 1.00 0.00 H new ATOM 0 HB3 LYS B 10 5.805 -12.690 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS B 10 5.904 -14.254 -14.328 1.00 0.00 H new ATOM 0 HG3 LYS B 10 7.454 -13.534 -14.719 1.00 0.00 H new ATOM 0 HD2 LYS B 10 6.790 -14.990 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.705 -15.667 -13.443 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.547 -13.214 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.147 -14.838 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.687 -13.603 -12.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 10.014 -14.843 -13.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 9.488 -13.241 -14.047 1.00 0.00 H new ATOM 1147 N ALA B 11 3.155 -12.269 -13.538 1.00 0.00 N ATOM 1148 CA ALA B 11 1.880 -13.017 -13.673 1.00 0.00 C ATOM 1149 C ALA B 11 0.749 -12.098 -14.201 1.00 0.00 C ATOM 1150 O ALA B 11 -0.440 -12.429 -14.102 1.00 0.00 O ATOM 1151 CB ALA B 11 1.519 -13.616 -12.309 1.00 0.00 C ATOM 0 H ALA B 11 3.221 -11.736 -12.671 1.00 0.00 H new ATOM 0 HA ALA B 11 2.001 -13.820 -14.401 1.00 0.00 H new ATOM 0 HB1 ALA B 11 0.584 -14.170 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA B 11 2.312 -14.290 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA B 11 1.404 -12.815 -11.579 1.00 0.00 H new ATOM 1157 N GLY B 12 1.154 -10.967 -14.809 1.00 0.00 N ATOM 1158 CA GLY B 12 0.245 -9.876 -15.179 1.00 0.00 C ATOM 1159 C GLY B 12 -0.360 -9.203 -13.960 1.00 0.00 C ATOM 1160 O GLY B 12 -1.475 -8.686 -14.016 1.00 0.00 O ATOM 0 H GLY B 12 2.127 -10.788 -15.057 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.787 -9.137 -15.770 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.553 -10.267 -15.811 1.00 0.00 H new ATOM 1164 N GLU B 13 0.407 -9.189 -12.851 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.087 -8.714 -11.542 1.00 0.00 C ATOM 1166 C GLU B 13 -0.029 -7.194 -11.482 1.00 0.00 C ATOM 1167 O GLU B 13 1.031 -6.623 -11.210 1.00 0.00 O ATOM 1168 CB GLU B 13 0.752 -9.312 -10.391 1.00 0.00 C ATOM 1169 CG GLU B 13 0.666 -10.826 -10.257 1.00 0.00 C ATOM 1170 CD GLU B 13 1.678 -11.379 -9.246 1.00 0.00 C ATOM 1171 OE1 GLU B 13 1.369 -11.404 -8.038 1.00 0.00 O ATOM 1172 OE2 GLU B 13 2.796 -11.769 -9.652 1.00 0.00 O ATOM 0 H GLU B 13 1.377 -9.503 -12.836 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.120 -9.041 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.795 -9.033 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.430 -8.860 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.342 -11.105 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.840 -11.285 -11.230 1.00 0.00 H new ATOM 1179 N TYR B 14 -1.141 -6.554 -11.853 1.00 0.00 N ATOM 1180 CA TYR B 14 -1.307 -5.107 -11.709 1.00 0.00 C ATOM 1181 C TYR B 14 -1.086 -4.644 -10.262 1.00 0.00 C ATOM 1182 O TYR B 14 -1.902 -4.861 -9.361 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.653 -4.637 -12.298 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.622 -4.692 -13.830 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.199 -3.590 -14.568 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.936 -5.859 -14.525 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -2.104 -3.645 -15.936 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.844 -5.912 -15.903 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.422 -4.803 -16.601 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.326 -4.846 -17.974 1.00 0.00 O ATOM 0 H TYR B 14 -1.949 -7.024 -12.261 1.00 0.00 H new ATOM 0 HA TYR B 14 -0.527 -4.622 -12.295 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -3.460 -5.267 -11.923 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.864 -3.619 -11.970 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.941 -2.675 -14.055 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.256 -6.734 -13.979 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.779 -2.777 -16.490 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.102 -6.819 -16.430 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.585 -5.736 -18.292 1.00 0.00 H new ATOM 1200 N ARG B 15 0.069 -4.000 -10.125 1.00 0.00 N ATOM 1201 CA ARG B 15 0.640 -3.510 -8.894 1.00 0.00 C ATOM 1202 C ARG B 15 0.984 -2.026 -9.053 1.00 0.00 C ATOM 1203 O ARG B 15 0.842 -1.453 -10.135 1.00 0.00 O ATOM 1204 CB ARG B 15 1.909 -4.318 -8.535 1.00 0.00 C ATOM 1205 CG ARG B 15 1.677 -5.809 -8.200 1.00 0.00 C ATOM 1206 CD ARG B 15 2.992 -6.592 -8.215 1.00 0.00 C ATOM 1207 NE ARG B 15 2.859 -7.987 -7.751 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.888 -8.760 -7.354 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.128 -8.282 -7.298 1.00 0.00 N ATOM 1210 NH2 ARG B 15 3.673 -10.013 -7.015 1.00 0.00 N ATOM 0 H ARG B 15 0.663 -3.798 -10.929 1.00 0.00 H new ATOM 0 HA ARG B 15 -0.083 -3.629 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG B 15 2.606 -4.256 -9.370 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.391 -3.843 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.211 -5.895 -7.219 1.00 0.00 H new ATOM 0 HG3 ARG B 15 0.984 -6.243 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.392 -6.593 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.718 -6.077 -7.586 1.00 0.00 H new ATOM 0 HE ARG B 15 1.924 -8.393 -7.730 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.313 -7.313 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.893 -8.884 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.729 -10.397 -7.053 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.451 -10.601 -6.714 1.00 0.00 H new ATOM 1224 N PHE B 16 1.430 -1.424 -7.957 1.00 0.00 N ATOM 1225 CA PHE B 16 1.886 -0.048 -7.902 1.00 0.00 C ATOM 1226 C PHE B 16 2.671 0.172 -6.612 1.00 0.00 C ATOM 1227 O PHE B 16 2.679 -0.682 -5.704 1.00 0.00 O ATOM 1228 CB PHE B 16 0.732 0.990 -8.077 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.438 0.907 -7.105 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.530 0.087 -7.370 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -0.472 1.689 -5.959 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.615 0.048 -6.515 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -1.553 1.643 -5.112 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.623 0.827 -5.387 1.00 0.00 C ATOM 0 H PHE B 16 1.484 -1.899 -7.056 1.00 0.00 H new ATOM 0 HA PHE B 16 2.545 0.123 -8.753 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.163 1.988 -8.001 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.338 0.888 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.530 -0.529 -8.257 1.00 0.00 H new ATOM 0 HD2 PHE B 16 0.359 2.340 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.455 -0.595 -6.735 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -1.561 2.254 -4.222 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.469 0.799 -4.716 1.00 0.00 H new ATOM 1244 N ARG B 17 3.372 1.305 -6.574 1.00 0.00 N ATOM 1245 CA ARG B 17 4.226 1.696 -5.449 1.00 0.00 C ATOM 1246 C ARG B 17 4.190 3.201 -5.221 1.00 0.00 C ATOM 1247 O ARG B 17 3.651 3.945 -6.039 1.00 0.00 O ATOM 1248 CB ARG B 17 5.679 1.218 -5.720 1.00 0.00 C ATOM 1249 CG ARG B 17 6.295 1.658 -7.065 1.00 0.00 C ATOM 1250 CD ARG B 17 7.656 0.985 -7.336 1.00 0.00 C ATOM 1251 NE ARG B 17 8.158 1.271 -8.696 1.00 0.00 N ATOM 1252 CZ ARG B 17 8.800 0.399 -9.498 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.105 -0.814 -9.080 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.168 0.768 -10.714 1.00 0.00 N ATOM 0 H ARG B 17 3.364 1.987 -7.333 1.00 0.00 H new ATOM 0 HA ARG B 17 3.850 1.222 -4.542 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.317 1.582 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG B 17 5.697 0.129 -5.673 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.606 1.416 -7.874 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.421 2.741 -7.067 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.383 1.331 -6.602 1.00 0.00 H new ATOM 0 HD3 ARG B 17 7.559 -0.093 -7.205 1.00 0.00 H new ATOM 0 HE ARG B 17 8.005 2.212 -9.060 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.855 -1.106 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.591 -1.460 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.966 1.712 -11.044 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.654 0.109 -11.322 1.00 0.00 H new ATOM 1268 N PHE B 18 4.776 3.625 -4.094 1.00 0.00 N ATOM 1269 CA PHE B 18 5.006 5.040 -3.781 1.00 0.00 C ATOM 1270 C PHE B 18 6.491 5.220 -3.466 1.00 0.00 C ATOM 1271 O PHE B 18 7.101 4.416 -2.742 1.00 0.00 O ATOM 1272 CB PHE B 18 4.128 5.514 -2.596 1.00 0.00 C ATOM 1273 CG PHE B 18 4.302 6.977 -2.191 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.221 7.992 -3.138 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.529 7.329 -0.864 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.363 9.309 -2.769 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.667 8.647 -0.490 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.587 9.636 -1.444 1.00 0.00 C ATOM 0 H PHE B 18 5.106 2.989 -3.368 1.00 0.00 H new ATOM 0 HA PHE B 18 4.725 5.652 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.082 5.348 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.347 4.887 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.045 7.743 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.598 6.555 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.300 10.088 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.837 8.903 0.545 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.700 10.671 -1.157 1.00 0.00 H new ATOM 1288 N LYS B 19 7.051 6.274 -4.044 1.00 0.00 N ATOM 1289 CA LYS B 19 8.469 6.590 -3.968 1.00 0.00 C ATOM 1290 C LYS B 19 8.731 7.647 -2.887 1.00 0.00 C ATOM 1291 O LYS B 19 7.812 8.103 -2.195 1.00 0.00 O ATOM 1292 CB LYS B 19 8.923 7.083 -5.367 1.00 0.00 C ATOM 1293 CG LYS B 19 8.657 6.051 -6.491 1.00 0.00 C ATOM 1294 CD LYS B 19 9.421 4.721 -6.244 1.00 0.00 C ATOM 1295 CE LYS B 19 10.939 4.849 -6.484 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.275 4.697 -7.918 1.00 0.00 N ATOM 0 H LYS B 19 6.518 6.949 -4.592 1.00 0.00 H new ATOM 0 HA LYS B 19 9.042 5.706 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.404 8.012 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.988 7.312 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.588 5.850 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.960 6.472 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.246 4.392 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.018 3.949 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.284 5.820 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.466 4.092 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.154 5.213 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.405 3.689 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.502 5.082 -8.498 1.00 0.00 H new ATOM 1310 N ALA B 20 10.002 8.019 -2.769 1.00 0.00 N ATOM 1311 CA ALA B 20 10.477 9.076 -1.876 1.00 0.00 C ATOM 1312 C ALA B 20 11.456 9.966 -2.657 1.00 0.00 C ATOM 1313 O ALA B 20 11.947 9.553 -3.709 1.00 0.00 O ATOM 1314 CB ALA B 20 11.119 8.474 -0.621 1.00 0.00 C ATOM 0 H ALA B 20 10.752 7.583 -3.306 1.00 0.00 H new ATOM 0 HA ALA B 20 9.642 9.688 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.466 9.276 0.031 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.384 7.868 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA B 20 11.964 7.849 -0.909 1.00 0.00 H new ATOM 1320 N SER B 21 11.684 11.194 -2.152 1.00 0.00 N ATOM 1321 CA SER B 21 12.559 12.222 -2.774 1.00 0.00 C ATOM 1322 C SER B 21 13.944 11.691 -3.249 1.00 0.00 C ATOM 1323 O SER B 21 14.500 12.185 -4.237 1.00 0.00 O ATOM 1324 CB SER B 21 12.759 13.378 -1.767 1.00 0.00 C ATOM 1325 OG SER B 21 11.514 13.827 -1.249 1.00 0.00 O ATOM 0 H SER B 21 11.258 11.512 -1.281 1.00 0.00 H new ATOM 0 HA SER B 21 12.051 12.559 -3.678 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.398 13.045 -0.949 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.273 14.206 -2.256 1.00 0.00 H new ATOM 0 HG SER B 21 11.668 14.557 -0.614 1.00 0.00 H new ATOM 1331 N ASN B 22 14.476 10.675 -2.548 1.00 0.00 N ATOM 1332 CA ASN B 22 15.812 10.089 -2.837 1.00 0.00 C ATOM 1333 C ASN B 22 15.765 8.996 -3.930 1.00 0.00 C ATOM 1334 O ASN B 22 16.791 8.378 -4.231 1.00 0.00 O ATOM 1335 CB ASN B 22 16.401 9.515 -1.525 1.00 0.00 C ATOM 1336 CG ASN B 22 16.620 10.587 -0.451 1.00 0.00 C ATOM 1337 OD1 ASN B 22 16.948 11.738 -0.755 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.412 10.229 0.801 1.00 0.00 N ATOM 0 H ASN B 22 13.998 10.231 -1.764 1.00 0.00 H new ATOM 0 HA ASN B 22 16.449 10.883 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN B 22 15.730 8.749 -1.136 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.351 9.026 -1.742 1.00 0.00 H new ATOM 0 HD21 ASN B 22 16.521 10.911 1.551 1.00 0.00 H new ATOM 0 HD22 ASN B 22 16.142 9.270 1.019 1.00 0.00 H new ATOM 1345 N GLY B 23 14.581 8.792 -4.538 1.00 0.00 N ATOM 1346 CA GLY B 23 14.341 7.694 -5.487 1.00 0.00 C ATOM 1347 C GLY B 23 14.321 6.326 -4.811 1.00 0.00 C ATOM 1348 O GLY B 23 14.688 5.317 -5.419 1.00 0.00 O ATOM 0 H GLY B 23 13.766 9.385 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.390 7.858 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.116 7.705 -6.253 1.00 0.00 H new ATOM 1352 N GLU B 24 13.896 6.314 -3.541 1.00 0.00 N ATOM 1353 CA GLU B 24 13.746 5.083 -2.736 1.00 0.00 C ATOM 1354 C GLU B 24 12.253 4.744 -2.617 1.00 0.00 C ATOM 1355 O GLU B 24 11.420 5.649 -2.546 1.00 0.00 O ATOM 1356 CB GLU B 24 14.372 5.276 -1.331 1.00 0.00 C ATOM 1357 CG GLU B 24 15.855 5.697 -1.324 1.00 0.00 C ATOM 1358 CD GLU B 24 16.807 4.618 -1.865 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.155 3.686 -1.107 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.221 4.699 -3.041 1.00 0.00 O ATOM 0 H GLU B 24 13.643 7.162 -3.034 1.00 0.00 H new ATOM 0 HA GLU B 24 14.267 4.261 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.795 6.029 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.273 4.343 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU B 24 15.969 6.602 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.147 5.949 -0.304 1.00 0.00 H new ATOM 1367 N THR B 25 11.923 3.445 -2.618 1.00 0.00 N ATOM 1368 CA THR B 25 10.534 2.966 -2.479 1.00 0.00 C ATOM 1369 C THR B 25 10.292 2.511 -1.028 1.00 0.00 C ATOM 1370 O THR B 25 11.162 1.901 -0.394 1.00 0.00 O ATOM 1371 CB THR B 25 10.243 1.795 -3.475 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.727 2.135 -4.781 1.00 0.00 O ATOM 1373 CG2 THR B 25 8.745 1.453 -3.565 1.00 0.00 C ATOM 0 H THR B 25 12.608 2.695 -2.715 1.00 0.00 H new ATOM 0 HA THR B 25 9.854 3.784 -2.719 1.00 0.00 H new ATOM 0 HB THR B 25 10.761 0.916 -3.092 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.544 1.398 -5.400 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.600 0.634 -4.270 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.380 1.154 -2.582 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.192 2.328 -3.907 1.00 0.00 H new ATOM 1381 N MET B 26 9.097 2.822 -0.525 1.00 0.00 N ATOM 1382 CA MET B 26 8.701 2.543 0.869 1.00 0.00 C ATOM 1383 C MET B 26 7.563 1.506 0.949 1.00 0.00 C ATOM 1384 O MET B 26 7.394 0.865 1.990 1.00 0.00 O ATOM 1385 CB MET B 26 8.394 3.875 1.596 1.00 0.00 C ATOM 1386 CG MET B 26 7.538 4.874 0.806 1.00 0.00 C ATOM 1387 SD MET B 26 5.871 4.287 0.483 1.00 0.00 S ATOM 1388 CE MET B 26 5.300 3.969 2.146 1.00 0.00 C ATOM 0 H MET B 26 8.367 3.278 -1.072 1.00 0.00 H new ATOM 0 HA MET B 26 9.532 2.074 1.396 1.00 0.00 H new ATOM 0 HB2 MET B 26 7.886 3.649 2.533 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.338 4.355 1.853 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.484 5.812 1.359 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.029 5.091 -0.143 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.276 3.597 2.114 1.00 0.00 H new ATOM 0 HE2 MET B 26 5.942 3.223 2.615 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.333 4.892 2.725 1.00 0.00 H new ATOM 1398 N PHE B 27 6.789 1.351 -0.145 1.00 0.00 N ATOM 1399 CA PHE B 27 5.951 0.146 -0.357 1.00 0.00 C ATOM 1400 C PHE B 27 5.584 -0.055 -1.823 1.00 0.00 C ATOM 1401 O PHE B 27 5.671 0.865 -2.629 1.00 0.00 O ATOM 1402 CB PHE B 27 4.674 0.064 0.547 1.00 0.00 C ATOM 1403 CG PHE B 27 3.658 1.201 0.519 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.688 2.230 -0.418 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.686 1.250 1.511 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.779 3.259 -0.354 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.793 2.284 1.580 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.847 3.288 0.652 1.00 0.00 C ATOM 0 H PHE B 27 6.725 2.040 -0.894 1.00 0.00 H new ATOM 0 HA PHE B 27 6.593 -0.676 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.146 -0.852 0.283 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.010 -0.048 1.578 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.431 2.220 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.635 0.456 2.242 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.799 4.044 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.049 2.308 2.363 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.150 4.111 0.712 1.00 0.00 H new ATOM 1418 N SER B 28 5.124 -1.281 -2.097 1.00 0.00 N ATOM 1419 CA SER B 28 4.819 -1.765 -3.440 1.00 0.00 C ATOM 1420 C SER B 28 4.050 -3.086 -3.368 1.00 0.00 C ATOM 1421 O SER B 28 3.869 -3.652 -2.280 1.00 0.00 O ATOM 1422 CB SER B 28 6.141 -1.972 -4.231 1.00 0.00 C ATOM 1423 OG SER B 28 5.890 -2.228 -5.604 1.00 0.00 O ATOM 0 H SER B 28 4.951 -1.977 -1.372 1.00 0.00 H new ATOM 0 HA SER B 28 4.200 -1.026 -3.949 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.767 -1.085 -4.134 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.698 -2.804 -3.800 1.00 0.00 H new ATOM 0 HG SER B 28 6.737 -2.226 -6.097 1.00 0.00 H new ATOM 1429 N SER B 29 3.607 -3.563 -4.548 1.00 0.00 N ATOM 1430 CA SER B 29 3.175 -4.952 -4.770 1.00 0.00 C ATOM 1431 C SER B 29 1.998 -5.411 -3.886 1.00 0.00 C ATOM 1432 O SER B 29 2.132 -6.318 -3.058 1.00 0.00 O ATOM 1433 CB SER B 29 4.387 -5.917 -4.666 1.00 0.00 C ATOM 1434 OG SER B 29 5.441 -5.503 -5.522 1.00 0.00 O ATOM 0 H SER B 29 3.539 -2.983 -5.384 1.00 0.00 H new ATOM 0 HA SER B 29 2.777 -4.984 -5.784 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.742 -5.951 -3.636 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.075 -6.928 -4.929 1.00 0.00 H new ATOM 0 HG SER B 29 5.084 -4.916 -6.220 1.00 0.00 H new ATOM 1440 N GLU B 30 0.863 -4.741 -4.044 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.441 -5.261 -3.598 1.00 0.00 C ATOM 1442 C GLU B 30 -0.929 -6.368 -4.562 1.00 0.00 C ATOM 1443 O GLU B 30 -1.149 -7.511 -4.134 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.552 -4.151 -3.418 1.00 0.00 C ATOM 1445 CG GLU B 30 -1.400 -2.815 -4.179 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.032 -2.935 -5.634 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -1.900 -3.240 -6.473 1.00 0.00 O ATOM 1448 OE2 GLU B 30 0.147 -2.770 -5.931 1.00 0.00 O ATOM 0 H GLU B 30 0.812 -3.822 -4.484 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.278 -5.677 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -2.507 -4.589 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.618 -3.920 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -2.338 -2.266 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.639 -2.216 -3.678 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.058 -6.049 -5.869 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.732 -6.939 -6.806 1.00 0.00 C ATOM 1457 C GLY B 31 -3.236 -6.785 -6.687 1.00 0.00 C ATOM 1458 O GLY B 31 -3.942 -7.762 -6.414 1.00 0.00 O ATOM 0 H GLY B 31 -0.704 -5.187 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.416 -6.713 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.448 -7.972 -6.606 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.726 -5.542 -6.874 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.093 -5.160 -6.494 1.00 0.00 C ATOM 1464 C TYR B 32 -6.115 -5.791 -7.464 1.00 0.00 C ATOM 1465 O TYR B 32 -6.965 -6.586 -7.040 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.243 -3.609 -6.435 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.563 -3.146 -5.786 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -6.848 -3.480 -4.459 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.512 -2.391 -6.485 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.023 -3.088 -3.857 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -8.692 -1.994 -5.877 1.00 0.00 C ATOM 1472 CZ TYR B 32 -8.938 -2.346 -4.564 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.112 -1.962 -3.955 1.00 0.00 O ATOM 0 H TYR B 32 -3.186 -4.783 -7.290 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.296 -5.544 -5.494 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.406 -3.191 -5.876 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.183 -3.207 -7.446 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.132 -4.058 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.322 -2.114 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.225 -3.363 -2.832 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.416 -1.412 -6.427 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.653 -1.442 -4.586 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.997 -5.444 -8.766 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.822 -6.039 -9.837 1.00 0.00 C ATOM 1485 C LYS B 33 -6.298 -5.640 -11.234 1.00 0.00 C ATOM 1486 O LYS B 33 -5.704 -6.454 -11.948 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.328 -5.655 -9.688 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.259 -6.251 -10.770 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.217 -7.795 -10.819 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.048 -8.378 -11.974 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.042 -9.863 -11.964 1.00 0.00 N ATOM 0 H LYS B 33 -5.331 -4.748 -9.100 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.742 -7.121 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.677 -5.982 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.416 -4.569 -9.711 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.282 -5.927 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.975 -5.854 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.182 -8.123 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.586 -8.194 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.074 -8.018 -11.901 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.652 -8.019 -12.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.613 -10.218 -12.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.065 -10.207 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.444 -10.206 -11.068 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.521 -4.375 -11.606 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.242 -3.851 -12.961 1.00 0.00 C ATOM 1507 C ALA B 34 -5.593 -2.471 -12.845 1.00 0.00 C ATOM 1508 O ALA B 34 -5.494 -1.947 -11.731 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.545 -3.796 -13.768 1.00 0.00 C ATOM 0 H ALA B 34 -6.904 -3.673 -10.973 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.550 -4.509 -13.486 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.339 -3.410 -14.766 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.967 -4.798 -13.847 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.257 -3.141 -13.266 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.143 -1.874 -13.977 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.492 -0.547 -13.960 1.00 0.00 C ATOM 1517 C LYS B 35 -5.498 0.538 -13.539 1.00 0.00 C ATOM 1518 O LYS B 35 -5.185 1.369 -12.702 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.843 -0.180 -15.341 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.824 0.042 -16.533 1.00 0.00 C ATOM 1521 CD LYS B 35 -5.223 -1.261 -17.251 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.100 -1.793 -18.155 1.00 0.00 C ATOM 1523 NZ LYS B 35 -4.459 -3.073 -18.815 1.00 0.00 N ATOM 0 H LYS B 35 -5.220 -2.290 -14.905 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.686 -0.596 -13.228 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.253 0.727 -15.211 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.149 -0.975 -15.614 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.724 0.535 -16.166 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.362 0.717 -17.253 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.480 -2.018 -16.510 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -6.117 -1.085 -17.850 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -3.867 -1.048 -18.916 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -3.197 -1.935 -17.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.762 -3.802 -18.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -5.404 -3.373 -18.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -4.464 -2.942 -19.847 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.719 0.494 -14.110 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.790 1.451 -13.777 1.00 0.00 C ATOM 1539 C ALA B 36 -8.150 1.351 -12.289 1.00 0.00 C ATOM 1540 O ALA B 36 -8.281 2.370 -11.603 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.023 1.219 -14.665 1.00 0.00 C ATOM 0 H ALA B 36 -6.987 -0.199 -14.808 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.428 2.461 -13.971 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.801 1.936 -14.402 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.748 1.350 -15.711 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.396 0.206 -14.512 1.00 0.00 H new ATOM 1547 N SER B 37 -8.223 0.100 -11.793 1.00 0.00 N ATOM 1548 CA SER B 37 -8.493 -0.199 -10.375 1.00 0.00 C ATOM 1549 C SER B 37 -7.334 0.285 -9.482 1.00 0.00 C ATOM 1550 O SER B 37 -7.546 0.660 -8.327 1.00 0.00 O ATOM 1551 CB SER B 37 -8.691 -1.725 -10.193 1.00 0.00 C ATOM 1552 OG SER B 37 -9.659 -2.235 -11.102 1.00 0.00 O ATOM 0 H SER B 37 -8.096 -0.733 -12.367 1.00 0.00 H new ATOM 0 HA SER B 37 -9.400 0.327 -10.077 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.741 -2.237 -10.345 1.00 0.00 H new ATOM 0 HB3 SER B 37 -9.005 -1.933 -9.170 1.00 0.00 H new ATOM 0 HG SER B 37 -9.761 -3.200 -10.964 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.112 0.266 -10.059 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.882 0.697 -9.390 1.00 0.00 C ATOM 1560 C ALA B 38 -4.907 2.216 -9.137 1.00 0.00 C ATOM 1561 O ALA B 38 -4.657 2.649 -8.016 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.645 0.283 -10.214 1.00 0.00 C ATOM 0 H ALA B 38 -5.959 -0.055 -11.015 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.819 0.201 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.740 0.611 -9.702 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.627 -0.801 -10.323 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.693 0.746 -11.200 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.224 3.019 -10.193 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.408 4.488 -10.070 1.00 0.00 C ATOM 1570 C ILE B 39 -6.495 4.825 -9.020 1.00 0.00 C ATOM 1571 O ILE B 39 -6.277 5.691 -8.179 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.761 5.202 -11.459 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.516 5.338 -12.411 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.416 6.603 -11.249 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.173 4.115 -13.226 1.00 0.00 C ATOM 0 H ILE B 39 -5.357 2.667 -11.141 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.445 4.880 -9.742 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.484 4.545 -11.943 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -4.695 6.168 -13.095 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.648 5.603 -11.807 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.638 7.050 -12.218 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.339 6.491 -10.681 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.729 7.248 -10.701 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.300 4.323 -13.844 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.954 3.282 -12.558 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.017 3.855 -13.865 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.652 4.133 -9.089 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.784 4.355 -8.153 1.00 0.00 C ATOM 1589 C HIS B 40 -8.374 4.075 -6.693 1.00 0.00 C ATOM 1590 O HIS B 40 -8.759 4.816 -5.760 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.024 3.516 -8.564 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.807 4.131 -9.696 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.620 5.226 -9.518 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.887 3.826 -11.015 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.163 5.566 -10.664 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.736 4.734 -11.591 1.00 0.00 N ATOM 0 H HIS B 40 -7.831 3.411 -9.787 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.061 5.407 -8.216 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.699 2.517 -8.856 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.678 3.398 -7.700 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.377 3.018 -11.518 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -12.845 6.389 -10.820 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -11.995 4.761 -12.577 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.564 3.023 -6.502 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.950 2.726 -5.213 1.00 0.00 C ATOM 1607 C ALA B 41 -6.108 3.928 -4.746 1.00 0.00 C ATOM 1608 O ALA B 41 -6.342 4.464 -3.671 1.00 0.00 O ATOM 1609 CB ALA B 41 -6.111 1.438 -5.314 1.00 0.00 C ATOM 0 H ALA B 41 -7.321 2.360 -7.238 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.725 2.555 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.656 1.223 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.754 0.607 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.329 1.571 -6.062 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.188 4.379 -5.608 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.332 5.568 -5.359 1.00 0.00 C ATOM 1617 C ILE B 42 -5.174 6.842 -5.096 1.00 0.00 C ATOM 1618 O ILE B 42 -4.741 7.733 -4.365 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.358 5.804 -6.565 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.455 4.551 -6.768 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.497 7.077 -6.378 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.724 4.499 -8.082 1.00 0.00 C ATOM 0 H ILE B 42 -5.008 3.933 -6.507 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.748 5.366 -4.461 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.963 5.960 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.723 4.515 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.073 3.658 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.838 7.200 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.148 7.947 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.898 6.981 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.123 3.591 -8.128 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.445 4.499 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.074 5.369 -8.171 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.393 6.896 -5.661 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.323 8.019 -5.452 1.00 0.00 C ATOM 1636 C GLU B 43 -7.703 8.137 -3.966 1.00 0.00 C ATOM 1637 O GLU B 43 -7.907 9.250 -3.485 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.591 7.902 -6.345 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.362 8.159 -7.845 1.00 0.00 C ATOM 1640 CD GLU B 43 -7.851 9.578 -8.131 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -8.624 10.542 -7.948 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -6.683 9.739 -8.525 1.00 0.00 O ATOM 0 H GLU B 43 -6.760 6.166 -6.272 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.807 8.931 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -9.010 6.903 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.338 8.608 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.644 7.434 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -9.296 7.998 -8.384 1.00 0.00 H new ATOM 1649 N SER B 44 -7.749 6.987 -3.241 1.00 0.00 N ATOM 1650 CA SER B 44 -7.885 6.991 -1.756 1.00 0.00 C ATOM 1651 C SER B 44 -6.784 7.824 -1.073 1.00 0.00 C ATOM 1652 O SER B 44 -7.055 8.525 -0.084 1.00 0.00 O ATOM 1653 CB SER B 44 -7.839 5.556 -1.186 1.00 0.00 C ATOM 1654 OG SER B 44 -9.089 4.891 -1.329 1.00 0.00 O ATOM 0 H SER B 44 -7.695 6.056 -3.653 1.00 0.00 H new ATOM 0 HA SER B 44 -8.853 7.444 -1.543 1.00 0.00 H new ATOM 0 HB2 SER B 44 -7.063 4.986 -1.698 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.565 5.592 -0.132 1.00 0.00 H new ATOM 0 HG SER B 44 -9.201 4.246 -0.600 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.548 7.729 -1.605 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.383 8.381 -0.994 1.00 0.00 C ATOM 1662 C ILE B 45 -4.517 9.898 -1.131 1.00 0.00 C ATOM 1663 O ILE B 45 -4.337 10.647 -0.162 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.986 7.929 -1.608 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.973 6.421 -1.974 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.872 8.201 -0.586 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.149 5.503 -0.794 1.00 0.00 C ATOM 0 H ILE B 45 -5.336 7.207 -2.455 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.379 8.071 0.051 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.824 8.501 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.767 6.226 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.030 6.185 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.913 7.893 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.842 9.266 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.069 7.638 0.326 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.129 4.467 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.341 5.668 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.105 5.709 -0.313 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.881 10.315 -2.357 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.959 11.743 -2.769 1.00 0.00 C ATOM 1681 C LYS B 46 -5.939 12.542 -1.905 1.00 0.00 C ATOM 1682 O LYS B 46 -5.800 13.755 -1.742 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.345 11.889 -4.289 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.764 10.816 -5.254 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.274 10.480 -5.003 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.319 11.622 -5.309 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.164 11.820 -6.767 1.00 0.00 N ATOM 0 H LYS B 46 -5.134 9.668 -3.104 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.961 12.156 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.432 11.869 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.018 12.871 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.352 9.903 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.879 11.166 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.150 10.186 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -3.000 9.618 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.689 12.540 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.346 11.414 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.343 12.432 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.019 10.900 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.021 12.268 -7.150 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.912 11.815 -1.358 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.992 12.376 -0.528 1.00 0.00 C ATOM 1703 C ARG B 47 -7.451 13.036 0.767 1.00 0.00 C ATOM 1704 O ARG B 47 -7.652 14.238 0.987 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.045 11.282 -0.170 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.704 10.583 -1.385 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.269 11.565 -2.438 1.00 0.00 C ATOM 1708 NE ARG B 47 -10.741 10.870 -3.657 1.00 0.00 N ATOM 1709 CZ ARG B 47 -10.229 11.018 -4.894 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -9.161 11.779 -5.115 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -10.767 10.363 -5.915 1.00 0.00 N ATOM 0 H ARG B 47 -6.979 10.804 -1.477 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.474 13.153 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.563 10.524 0.448 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.828 11.738 0.436 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.969 9.936 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.511 9.942 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.094 12.128 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -9.498 12.287 -2.709 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.522 10.223 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -8.712 12.265 -4.339 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -8.791 11.876 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.567 9.749 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.381 10.474 -6.852 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.712 12.244 1.577 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.387 12.624 2.984 1.00 0.00 C ATOM 1727 C ASN B 48 -5.436 11.615 3.672 1.00 0.00 C ATOM 1728 O ASN B 48 -5.315 11.609 4.895 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.716 12.807 3.795 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.575 13.377 5.210 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -6.698 14.200 5.489 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -8.448 12.938 6.112 1.00 0.00 N ATOM 0 H ASN B 48 -6.329 11.343 1.290 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.847 13.570 2.961 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.376 13.462 3.227 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.211 11.838 3.864 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -8.407 13.282 7.071 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -9.159 12.257 5.844 1.00 0.00 H new ATOM 1739 N SER B 49 -4.740 10.773 2.897 1.00 0.00 N ATOM 1740 CA SER B 49 -3.858 9.727 3.464 1.00 0.00 C ATOM 1741 C SER B 49 -2.660 10.333 4.225 1.00 0.00 C ATOM 1742 O SER B 49 -2.185 9.760 5.210 1.00 0.00 O ATOM 1743 CB SER B 49 -3.354 8.817 2.360 1.00 0.00 C ATOM 1744 OG SER B 49 -2.606 7.729 2.852 1.00 0.00 O ATOM 0 H SER B 49 -4.766 10.790 1.877 1.00 0.00 H new ATOM 0 HA SER B 49 -4.450 9.152 4.176 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.203 8.441 1.789 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.738 9.395 1.671 1.00 0.00 H new ATOM 0 HG SER B 49 -2.643 7.723 3.831 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.175 11.489 3.739 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.166 12.294 4.448 1.00 0.00 C ATOM 1752 C ALA B 50 -1.663 12.740 5.848 1.00 0.00 C ATOM 1753 O ALA B 50 -0.873 12.841 6.790 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.750 13.497 3.584 1.00 0.00 C ATOM 0 H ALA B 50 -2.470 11.890 2.848 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.288 11.670 4.616 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.004 14.087 4.116 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.328 13.141 2.644 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.623 14.117 3.379 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.985 12.980 5.966 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.626 13.337 7.239 1.00 0.00 C ATOM 1762 C GLY B 51 -4.273 12.151 7.970 1.00 0.00 C ATOM 1763 O GLY B 51 -4.839 12.334 9.058 1.00 0.00 O ATOM 0 H GLY B 51 -3.633 12.931 5.180 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.882 13.791 7.893 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.388 14.093 7.050 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.201 10.944 7.370 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.755 9.696 7.958 1.00 0.00 C ATOM 1769 C ALA B 52 -3.986 9.277 9.227 1.00 0.00 C ATOM 1770 O ALA B 52 -2.886 9.764 9.479 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.724 8.569 6.908 1.00 0.00 C ATOM 0 H ALA B 52 -3.757 10.802 6.463 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.787 9.886 8.252 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.131 7.656 7.342 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.324 8.859 6.045 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.695 8.394 6.592 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.586 8.393 10.037 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.955 7.880 11.278 1.00 0.00 C ATOM 1779 C ASP B 53 -3.084 6.644 10.962 1.00 0.00 C ATOM 1780 O ASP B 53 -3.265 6.014 9.931 1.00 0.00 O ATOM 1781 CB ASP B 53 -5.057 7.554 12.324 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.531 6.860 13.591 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -4.003 7.553 14.487 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.619 5.617 13.687 1.00 0.00 O ATOM 0 H ASP B 53 -5.515 8.011 9.859 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.300 8.642 11.700 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.557 8.479 12.610 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.808 6.916 11.858 1.00 0.00 H new ATOM 1789 N THR B 54 -2.104 6.342 11.828 1.00 0.00 N ATOM 1790 CA THR B 54 -1.235 5.154 11.690 1.00 0.00 C ATOM 1791 C THR B 54 -1.397 4.236 12.931 1.00 0.00 C ATOM 1792 O THR B 54 -0.903 4.549 14.020 1.00 0.00 O ATOM 1793 CB THR B 54 0.256 5.615 11.487 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.323 6.557 10.395 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.226 4.455 11.196 1.00 0.00 C ATOM 0 H THR B 54 -1.889 6.913 12.646 1.00 0.00 H new ATOM 0 HA THR B 54 -1.528 4.575 10.814 1.00 0.00 H new ATOM 0 HB THR B 54 0.568 6.069 12.428 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.251 6.846 10.269 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.235 4.848 11.067 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.214 3.753 12.029 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.917 3.942 10.285 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.130 3.118 12.742 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.487 2.150 13.812 1.00 0.00 C ATOM 1805 C VAL B 55 -1.731 0.818 13.624 1.00 0.00 C ATOM 1806 O VAL B 55 -1.772 0.209 12.551 1.00 0.00 O ATOM 1807 CB VAL B 55 -4.050 1.894 13.862 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.619 1.386 12.520 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.436 0.949 15.035 1.00 0.00 C ATOM 0 H VAL B 55 -2.498 2.855 11.828 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.186 2.589 14.763 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.512 2.864 14.045 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.693 1.229 12.616 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -4.429 2.125 11.741 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.137 0.445 12.253 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.515 0.796 15.039 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -3.934 -0.010 14.910 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.130 1.398 15.980 1.00 0.00 H new ATOM 1819 N ASP B 56 -1.032 0.380 14.684 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.234 -0.857 14.672 1.00 0.00 C ATOM 1821 C ASP B 56 -0.949 -2.001 15.428 1.00 0.00 C ATOM 1822 O ASP B 56 -1.332 -1.851 16.594 1.00 0.00 O ATOM 1823 CB ASP B 56 1.150 -0.602 15.287 1.00 0.00 C ATOM 1824 CG ASP B 56 2.039 -1.839 15.180 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.673 -2.009 14.144 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.087 -2.654 16.119 1.00 0.00 O ATOM 0 H ASP B 56 -1.004 0.875 15.575 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.114 -1.165 13.633 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.627 0.237 14.780 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.039 -0.320 16.334 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.117 -3.132 14.731 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.743 -4.365 15.258 1.00 0.00 C ATOM 1833 C LEU B 57 -0.694 -5.439 15.658 1.00 0.00 C ATOM 1834 O LEU B 57 -1.014 -6.328 16.451 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.718 -4.984 14.200 1.00 0.00 C ATOM 1836 CG LEU B 57 -3.868 -4.074 13.647 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.639 -3.364 14.772 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.355 -3.076 12.602 1.00 0.00 C ATOM 0 H LEU B 57 -0.816 -3.224 13.761 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.293 -4.072 16.153 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.122 -5.323 13.353 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.175 -5.869 14.643 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.574 -4.736 13.145 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.425 -2.745 14.340 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.084 -4.107 15.433 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.955 -2.735 15.342 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.184 -2.465 12.245 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.599 -2.434 13.053 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -2.917 -3.619 11.764 1.00 0.00 H new ATOM 1850 N THR B 58 0.548 -5.362 15.126 1.00 0.00 N ATOM 1851 CA THR B 58 1.546 -6.461 15.268 1.00 0.00 C ATOM 1852 C THR B 58 2.345 -6.400 16.592 1.00 0.00 C ATOM 1853 O THR B 58 3.067 -7.347 16.919 1.00 0.00 O ATOM 1854 CB THR B 58 2.516 -6.536 14.041 1.00 0.00 C ATOM 1855 OG1 THR B 58 3.501 -7.561 14.198 1.00 0.00 O ATOM 1856 CG2 THR B 58 3.209 -5.212 13.729 1.00 0.00 C ATOM 0 H THR B 58 0.886 -4.558 14.597 1.00 0.00 H new ATOM 0 HA THR B 58 0.958 -7.379 15.297 1.00 0.00 H new ATOM 0 HB THR B 58 1.873 -6.780 13.195 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.699 -7.682 15.150 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.865 -5.339 12.868 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.459 -4.453 13.505 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.798 -4.898 14.591 1.00 0.00 H new ATOM 1864 N THR B 59 2.206 -5.318 17.372 1.00 0.00 N ATOM 1865 CA THR B 59 2.801 -5.237 18.735 1.00 0.00 C ATOM 1866 C THR B 59 1.672 -5.151 19.785 1.00 0.00 C ATOM 1867 O THR B 59 1.916 -4.929 20.975 1.00 0.00 O ATOM 1868 CB THR B 59 3.801 -4.033 18.875 1.00 0.00 C ATOM 1869 OG1 THR B 59 3.117 -2.772 18.757 1.00 0.00 O ATOM 1870 CG2 THR B 59 4.932 -4.098 17.823 1.00 0.00 C ATOM 0 H THR B 59 1.690 -4.484 17.093 1.00 0.00 H new ATOM 0 HA THR B 59 3.384 -6.142 18.907 1.00 0.00 H new ATOM 0 HB THR B 59 4.244 -4.112 19.868 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.743 -2.686 17.855 1.00 0.00 H new ATOM 0 HG21 THR B 59 5.601 -3.248 17.955 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.493 -5.024 17.949 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.500 -4.068 16.823 1.00 0.00 H new