USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 456 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 45 LYS NZ :NH3+ -163:sc= -0.669 (180deg=-0.558) USER MOD Set 1.2: A 54 TYR OH : rot 130:sc= -0.647 USER MOD Set 2.1: A 11 SER OG : rot 99:sc= 0.478 USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.449 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0494 (180deg=-0.56) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.23! C(o=-1.2!,f=-1.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -16:sc= 0.554 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -63:sc= 1.2 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -130:sc= -0.526 USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= -0.114 (180deg=-0.763) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.47) USER MOD Single : A 32 THR OG1 : rot 131:sc= 0.961 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 55:sc= 1.14 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -51:sc= 1.23 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -112:sc= -1.88 (180deg=-4.39!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.567 14.025 -9.789 1.00 1.00 N ATOM 2 CA MET A 1 3.307 12.571 -9.983 1.00 1.00 C ATOM 3 C MET A 1 2.085 12.176 -9.152 1.00 1.00 C ATOM 4 O MET A 1 2.208 11.766 -7.998 1.00 1.00 O ATOM 5 CB MET A 1 4.549 11.771 -9.539 1.00 1.00 C ATOM 6 CG MET A 1 5.767 12.162 -10.402 1.00 1.00 C ATOM 7 SD MET A 1 7.228 11.201 -9.892 1.00 1.00 S ATOM 8 CE MET A 1 7.836 12.272 -8.557 1.00 1.00 C ATOM 0 H1 MET A 1 4.165 14.377 -10.564 1.00 1.00 H new ATOM 0 H2 MET A 1 2.664 14.542 -9.785 1.00 1.00 H new ATOM 0 H3 MET A 1 4.054 14.173 -8.882 1.00 1.00 H new ATOM 0 HA MET A 1 3.110 12.354 -11.033 1.00 1.00 H new ATOM 0 HB2 MET A 1 4.760 11.966 -8.488 1.00 1.00 H new ATOM 0 HB3 MET A 1 4.355 10.702 -9.632 1.00 1.00 H new ATOM 0 HG2 MET A 1 5.551 11.979 -11.455 1.00 1.00 H new ATOM 0 HG3 MET A 1 5.969 13.228 -10.299 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.736 11.837 -8.123 1.00 1.00 H new ATOM 0 HE2 MET A 1 8.067 13.259 -8.959 1.00 1.00 H new ATOM 0 HE3 MET A 1 7.070 12.364 -7.787 1.00 1.00 H new ATOM 20 N LYS A 2 0.905 12.300 -9.753 1.00 1.00 N ATOM 21 CA LYS A 2 -0.348 11.963 -9.067 1.00 1.00 C ATOM 22 C LYS A 2 -0.385 10.483 -8.727 1.00 1.00 C ATOM 23 O LYS A 2 -1.092 10.052 -7.816 1.00 1.00 O ATOM 24 CB LYS A 2 -1.554 12.316 -9.966 1.00 1.00 C ATOM 25 CG LYS A 2 -1.598 13.839 -10.226 1.00 1.00 C ATOM 26 CD LYS A 2 -2.744 14.205 -11.205 1.00 1.00 C ATOM 27 CE LYS A 2 -4.141 13.879 -10.610 1.00 1.00 C ATOM 28 NZ LYS A 2 -5.179 14.604 -11.385 1.00 1.00 N ATOM 0 H LYS A 2 0.786 12.630 -10.711 1.00 1.00 H new ATOM 0 HA LYS A 2 -0.403 12.540 -8.144 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -1.481 11.780 -10.912 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -2.479 11.994 -9.488 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -1.738 14.368 -9.283 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -0.644 14.169 -10.638 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -2.691 15.267 -11.445 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -2.611 13.660 -12.139 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -4.325 12.805 -10.648 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -4.181 14.173 -9.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -6.118 14.390 -10.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -5.004 15.628 -11.327 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -5.143 14.303 -12.380 1.00 1.00 H new ATOM 42 N THR A 3 0.386 9.702 -9.477 1.00 1.00 N ATOM 43 CA THR A 3 0.456 8.244 -9.278 1.00 1.00 C ATOM 44 C THR A 3 1.894 7.765 -9.365 1.00 1.00 C ATOM 45 O THR A 3 2.769 8.439 -9.909 1.00 1.00 O ATOM 46 CB THR A 3 -0.389 7.523 -10.345 1.00 1.00 C ATOM 47 OG1 THR A 3 0.201 7.726 -11.621 1.00 1.00 O ATOM 48 CG2 THR A 3 -1.826 8.078 -10.356 1.00 1.00 C ATOM 0 H THR A 3 0.976 10.049 -10.233 1.00 1.00 H new ATOM 0 HA THR A 3 0.063 8.013 -8.288 1.00 1.00 H new ATOM 0 HB THR A 3 -0.423 6.459 -10.112 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.332 7.268 -12.304 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.411 7.559 -11.115 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.283 7.925 -9.378 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.803 9.144 -10.582 1.00 1.00 H new ATOM 56 N GLY A 4 2.131 6.580 -8.814 1.00 1.00 N ATOM 57 CA GLY A 4 3.469 5.969 -8.807 1.00 1.00 C ATOM 58 C GLY A 4 3.382 4.484 -9.119 1.00 1.00 C ATOM 59 O GLY A 4 2.360 3.835 -8.898 1.00 1.00 O ATOM 0 H GLY A 4 1.413 6.014 -8.362 1.00 1.00 H new ATOM 0 HA2 GLY A 4 4.104 6.464 -9.542 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.936 6.114 -7.833 1.00 1.00 H new ATOM 63 N ILE A 5 4.485 3.948 -9.631 1.00 1.00 N ATOM 64 CA ILE A 5 4.556 2.517 -9.984 1.00 1.00 C ATOM 65 C ILE A 5 5.240 1.753 -8.851 1.00 1.00 C ATOM 66 O ILE A 5 6.246 2.189 -8.293 1.00 1.00 O ATOM 67 CB ILE A 5 5.351 2.335 -11.320 1.00 1.00 C ATOM 68 CG1 ILE A 5 6.683 3.150 -11.271 1.00 1.00 C ATOM 69 CG2 ILE A 5 4.483 2.810 -12.517 1.00 1.00 C ATOM 70 CD1 ILE A 5 7.579 2.808 -12.478 1.00 1.00 C ATOM 0 H ILE A 5 5.342 4.471 -9.813 1.00 1.00 H new ATOM 0 HA ILE A 5 3.549 2.125 -10.125 1.00 1.00 H new ATOM 0 HB ILE A 5 5.591 1.279 -11.448 1.00 1.00 H new ATOM 0 HG12 ILE A 5 6.462 4.217 -11.268 1.00 1.00 H new ATOM 0 HG13 ILE A 5 7.214 2.932 -10.345 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.041 2.681 -13.445 1.00 1.00 H new ATOM 0 HG22 ILE A 5 3.567 2.220 -12.559 1.00 1.00 H new ATOM 0 HG23 ILE A 5 4.231 3.863 -12.388 1.00 1.00 H new ATOM 0 HD11 ILE A 5 8.501 3.387 -12.423 1.00 1.00 H new ATOM 0 HD12 ILE A 5 7.817 1.745 -12.464 1.00 1.00 H new ATOM 0 HD13 ILE A 5 7.053 3.050 -13.402 1.00 1.00 H new ATOM 82 N VAL A 6 4.678 0.592 -8.526 1.00 1.00 N ATOM 83 CA VAL A 6 5.203 -0.259 -7.465 1.00 1.00 C ATOM 84 C VAL A 6 6.337 -1.102 -8.006 1.00 1.00 C ATOM 85 O VAL A 6 6.291 -1.560 -9.148 1.00 1.00 O ATOM 86 CB VAL A 6 4.084 -1.166 -6.895 1.00 1.00 C ATOM 87 CG1 VAL A 6 4.596 -1.929 -5.645 1.00 1.00 C ATOM 88 CG2 VAL A 6 2.872 -0.292 -6.502 1.00 1.00 C ATOM 0 H VAL A 6 3.850 0.217 -8.989 1.00 1.00 H new ATOM 0 HA VAL A 6 5.578 0.370 -6.658 1.00 1.00 H new ATOM 0 HB VAL A 6 3.790 -1.890 -7.655 1.00 1.00 H new ATOM 0 HG11 VAL A 6 3.800 -2.563 -5.254 1.00 1.00 H new ATOM 0 HG12 VAL A 6 5.450 -2.548 -5.921 1.00 1.00 H new ATOM 0 HG13 VAL A 6 4.898 -1.213 -4.880 1.00 1.00 H new ATOM 0 HG21 VAL A 6 2.081 -0.926 -6.100 1.00 1.00 H new ATOM 0 HG22 VAL A 6 3.176 0.432 -5.746 1.00 1.00 H new ATOM 0 HG23 VAL A 6 2.503 0.235 -7.382 1.00 1.00 H new ATOM 98 N ASN A 7 7.355 -1.317 -7.180 1.00 1.00 N ATOM 99 CA ASN A 7 8.554 -2.127 -7.581 1.00 1.00 C ATOM 100 C ASN A 7 8.540 -2.470 -9.097 1.00 1.00 C ATOM 101 O ASN A 7 8.701 -1.574 -9.929 1.00 1.00 O ATOM 102 CB ASN A 7 8.601 -3.415 -6.727 1.00 1.00 C ATOM 103 CG ASN A 7 9.822 -4.264 -7.093 1.00 1.00 C ATOM 104 OD1 ASN A 7 10.918 -3.734 -7.280 1.00 1.00 O ATOM 105 ND2 ASN A 7 9.691 -5.559 -7.217 1.00 1.00 N ATOM 0 H ASN A 7 7.397 -0.954 -6.228 1.00 1.00 H new ATOM 0 HA ASN A 7 9.451 -1.534 -7.401 1.00 1.00 H new ATOM 0 HB2 ASN A 7 8.637 -3.155 -5.669 1.00 1.00 H new ATOM 0 HB3 ASN A 7 7.690 -3.993 -6.882 1.00 1.00 H new ATOM 0 HD21 ASN A 7 10.497 -6.131 -7.469 1.00 1.00 H new ATOM 0 HD22 ASN A 7 8.783 -5.997 -7.062 1.00 1.00 H new ATOM 112 N VAL A 8 8.310 -3.735 -9.431 1.00 1.00 N ATOM 113 CA VAL A 8 8.227 -4.161 -10.851 1.00 1.00 C ATOM 114 C VAL A 8 7.152 -5.242 -11.024 1.00 1.00 C ATOM 115 O VAL A 8 6.275 -5.125 -11.879 1.00 1.00 O ATOM 116 CB VAL A 8 9.609 -4.683 -11.342 1.00 1.00 C ATOM 117 CG1 VAL A 8 9.571 -4.948 -12.870 1.00 1.00 C ATOM 118 CG2 VAL A 8 10.715 -3.640 -11.021 1.00 1.00 C ATOM 0 H VAL A 8 8.177 -4.488 -8.756 1.00 1.00 H new ATOM 0 HA VAL A 8 7.949 -3.298 -11.456 1.00 1.00 H new ATOM 0 HB VAL A 8 9.833 -5.616 -10.825 1.00 1.00 H new ATOM 0 HG11 VAL A 8 10.544 -5.313 -13.200 1.00 1.00 H new ATOM 0 HG12 VAL A 8 8.809 -5.696 -13.091 1.00 1.00 H new ATOM 0 HG13 VAL A 8 9.333 -4.022 -13.394 1.00 1.00 H new ATOM 0 HG21 VAL A 8 11.679 -4.013 -11.368 1.00 1.00 H new ATOM 0 HG22 VAL A 8 10.487 -2.701 -11.525 1.00 1.00 H new ATOM 0 HG23 VAL A 8 10.757 -3.473 -9.945 1.00 1.00 H new ATOM 128 N SER A 9 7.235 -6.294 -10.215 1.00 1.00 N ATOM 129 CA SER A 9 6.265 -7.398 -10.296 1.00 1.00 C ATOM 130 C SER A 9 6.434 -8.352 -9.111 1.00 1.00 C ATOM 131 O SER A 9 7.016 -9.428 -9.245 1.00 1.00 O ATOM 132 CB SER A 9 6.453 -8.166 -11.613 1.00 1.00 C ATOM 133 OG SER A 9 5.554 -9.267 -11.636 1.00 1.00 O ATOM 0 H SER A 9 7.953 -6.412 -9.501 1.00 1.00 H new ATOM 0 HA SER A 9 5.260 -6.977 -10.264 1.00 1.00 H new ATOM 0 HB2 SER A 9 6.266 -7.509 -12.462 1.00 1.00 H new ATOM 0 HB3 SER A 9 7.481 -8.517 -11.701 1.00 1.00 H new ATOM 0 HG SER A 9 5.665 -9.763 -12.474 1.00 1.00 H new ATOM 139 N SER A 10 5.921 -7.944 -7.956 1.00 1.00 N ATOM 140 CA SER A 10 6.016 -8.761 -6.735 1.00 1.00 C ATOM 141 C SER A 10 4.971 -8.322 -5.709 1.00 1.00 C ATOM 142 O SER A 10 4.347 -7.270 -5.851 1.00 1.00 O ATOM 143 CB SER A 10 7.423 -8.620 -6.136 1.00 1.00 C ATOM 144 OG SER A 10 8.378 -9.050 -7.094 1.00 1.00 O ATOM 0 H SER A 10 5.435 -7.056 -7.831 1.00 1.00 H new ATOM 0 HA SER A 10 5.828 -9.803 -6.994 1.00 1.00 H new ATOM 0 HB2 SER A 10 7.611 -7.583 -5.856 1.00 1.00 H new ATOM 0 HB3 SER A 10 7.507 -9.216 -5.227 1.00 1.00 H new ATOM 0 HG SER A 10 7.929 -9.569 -7.794 1.00 1.00 H new ATOM 150 N SER A 11 4.799 -9.131 -4.669 1.00 1.00 N ATOM 151 CA SER A 11 3.833 -8.830 -3.599 1.00 1.00 C ATOM 152 C SER A 11 4.510 -8.021 -2.492 1.00 1.00 C ATOM 153 O SER A 11 5.584 -8.375 -2.007 1.00 1.00 O ATOM 154 CB SER A 11 3.285 -10.131 -2.998 1.00 1.00 C ATOM 155 OG SER A 11 2.398 -9.817 -1.930 1.00 1.00 O ATOM 0 H SER A 11 5.312 -10.002 -4.537 1.00 1.00 H new ATOM 0 HA SER A 11 3.014 -8.252 -4.028 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.763 -10.707 -3.762 1.00 1.00 H new ATOM 0 HB3 SER A 11 4.105 -10.751 -2.635 1.00 1.00 H new ATOM 0 HG SER A 11 1.473 -9.857 -2.251 1.00 1.00 H new ATOM 161 N LEU A 12 3.862 -6.929 -2.100 1.00 1.00 N ATOM 162 CA LEU A 12 4.385 -6.052 -1.030 1.00 1.00 C ATOM 163 C LEU A 12 3.650 -6.348 0.272 1.00 1.00 C ATOM 164 O LEU A 12 2.597 -6.984 0.312 1.00 1.00 O ATOM 165 CB LEU A 12 4.227 -4.539 -1.396 1.00 1.00 C ATOM 166 CG LEU A 12 5.471 -3.981 -2.158 1.00 1.00 C ATOM 167 CD1 LEU A 12 5.623 -4.675 -3.526 1.00 1.00 C ATOM 168 CD2 LEU A 12 5.328 -2.453 -2.336 1.00 1.00 C ATOM 0 H LEU A 12 2.975 -6.621 -2.499 1.00 1.00 H new ATOM 0 HA LEU A 12 5.449 -6.256 -0.913 1.00 1.00 H new ATOM 0 HB2 LEU A 12 3.337 -4.407 -2.012 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.072 -3.961 -0.485 1.00 1.00 H new ATOM 0 HG LEU A 12 6.368 -4.187 -1.574 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.495 -4.274 -4.043 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.751 -5.747 -3.378 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.731 -4.495 -4.126 1.00 1.00 H new ATOM 0 HD21 LEU A 12 6.197 -2.066 -2.868 1.00 1.00 H new ATOM 0 HD22 LEU A 12 4.426 -2.236 -2.908 1.00 1.00 H new ATOM 0 HD23 LEU A 12 5.260 -1.978 -1.358 1.00 1.00 H new ATOM 180 N ASN A 13 4.247 -5.866 1.358 1.00 1.00 N ATOM 181 CA ASN A 13 3.690 -6.060 2.701 1.00 1.00 C ATOM 182 C ASN A 13 2.812 -4.865 3.081 1.00 1.00 C ATOM 183 O ASN A 13 3.301 -3.740 3.179 1.00 1.00 O ATOM 184 CB ASN A 13 4.853 -6.197 3.704 1.00 1.00 C ATOM 185 CG ASN A 13 5.706 -7.418 3.356 1.00 1.00 C ATOM 186 OD1 ASN A 13 5.174 -8.440 2.923 1.00 1.00 O ATOM 187 ND2 ASN A 13 6.999 -7.372 3.520 1.00 1.00 N ATOM 0 H ASN A 13 5.119 -5.337 1.338 1.00 1.00 H new ATOM 0 HA ASN A 13 3.077 -6.961 2.719 1.00 1.00 H new ATOM 0 HB2 ASN A 13 5.468 -5.297 3.685 1.00 1.00 H new ATOM 0 HB3 ASN A 13 4.461 -6.294 4.716 1.00 1.00 H new ATOM 0 HD21 ASN A 13 7.572 -8.184 3.289 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.438 -6.524 3.879 1.00 1.00 H new ATOM 194 N VAL A 14 1.528 -5.119 3.311 1.00 1.00 N ATOM 195 CA VAL A 14 0.579 -4.042 3.692 1.00 1.00 C ATOM 196 C VAL A 14 0.310 -4.084 5.198 1.00 1.00 C ATOM 197 O VAL A 14 -0.374 -4.982 5.687 1.00 1.00 O ATOM 198 CB VAL A 14 -0.755 -4.173 2.897 1.00 1.00 C ATOM 199 CG1 VAL A 14 -1.654 -2.928 3.136 1.00 1.00 C ATOM 200 CG2 VAL A 14 -0.443 -4.295 1.386 1.00 1.00 C ATOM 0 H VAL A 14 1.109 -6.047 3.245 1.00 1.00 H new ATOM 0 HA VAL A 14 1.030 -3.082 3.442 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.283 -5.062 3.241 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -2.582 -3.036 2.574 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -1.882 -2.842 4.198 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.130 -2.032 2.804 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -1.375 -4.387 0.828 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.094 -3.407 1.052 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.173 -5.178 1.212 1.00 1.00 H new ATOM 210 N ARG A 15 0.856 -3.113 5.922 1.00 1.00 N ATOM 211 CA ARG A 15 0.677 -3.011 7.386 1.00 1.00 C ATOM 212 C ARG A 15 -0.666 -2.325 7.716 1.00 1.00 C ATOM 213 O ARG A 15 -1.491 -2.079 6.837 1.00 1.00 O ATOM 214 CB ARG A 15 1.892 -2.217 7.986 1.00 1.00 C ATOM 215 CG ARG A 15 3.083 -3.175 8.289 1.00 1.00 C ATOM 216 CD ARG A 15 4.367 -2.387 8.709 1.00 1.00 C ATOM 217 NE ARG A 15 5.175 -2.073 7.522 1.00 1.00 N ATOM 218 CZ ARG A 15 6.433 -1.618 7.611 1.00 1.00 C ATOM 219 NH1 ARG A 15 6.970 -1.354 8.773 1.00 1.00 N ATOM 220 NH2 ARG A 15 7.127 -1.433 6.526 1.00 1.00 N ATOM 0 H ARG A 15 1.434 -2.373 5.524 1.00 1.00 H new ATOM 0 HA ARG A 15 0.649 -4.006 7.831 1.00 1.00 H new ATOM 0 HB2 ARG A 15 2.210 -1.445 7.285 1.00 1.00 H new ATOM 0 HB3 ARG A 15 1.585 -1.710 8.901 1.00 1.00 H new ATOM 0 HG2 ARG A 15 2.802 -3.864 9.085 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.298 -3.778 7.407 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.087 -1.467 9.222 1.00 1.00 H new ATOM 0 HD3 ARG A 15 4.953 -2.979 9.412 1.00 1.00 H new ATOM 0 HE ARG A 15 4.764 -2.206 6.598 1.00 1.00 H new ATOM 0 HH11 ARG A 15 6.431 -1.494 9.628 1.00 1.00 H new ATOM 0 HH12 ARG A 15 7.928 -1.008 8.825 1.00 1.00 H new ATOM 0 HH21 ARG A 15 6.713 -1.634 5.616 1.00 1.00 H new ATOM 0 HH22 ARG A 15 8.085 -1.087 6.586 1.00 1.00 H new ATOM 234 N SER A 16 -0.872 -2.050 9.000 1.00 1.00 N ATOM 235 CA SER A 16 -2.112 -1.399 9.479 1.00 1.00 C ATOM 236 C SER A 16 -1.927 0.116 9.601 1.00 1.00 C ATOM 237 O SER A 16 -2.905 0.862 9.543 1.00 1.00 O ATOM 238 CB SER A 16 -2.499 -1.981 10.849 1.00 1.00 C ATOM 239 OG SER A 16 -3.533 -1.195 11.423 1.00 1.00 O ATOM 0 H SER A 16 -0.201 -2.264 9.738 1.00 1.00 H new ATOM 0 HA SER A 16 -2.904 -1.591 8.755 1.00 1.00 H new ATOM 0 HB2 SER A 16 -2.832 -3.013 10.737 1.00 1.00 H new ATOM 0 HB3 SER A 16 -1.631 -1.996 11.508 1.00 1.00 H new ATOM 0 HG SER A 16 -3.781 -1.567 12.295 1.00 1.00 H new ATOM 245 N SER A 17 -0.685 0.562 9.756 1.00 1.00 N ATOM 246 CA SER A 17 -0.394 2.019 9.891 1.00 1.00 C ATOM 247 C SER A 17 1.103 2.266 10.161 1.00 1.00 C ATOM 248 O SER A 17 1.473 3.136 10.947 1.00 1.00 O ATOM 249 CB SER A 17 -1.217 2.644 11.046 1.00 1.00 C ATOM 250 OG SER A 17 -0.792 3.979 11.275 1.00 1.00 O ATOM 0 H SER A 17 0.138 -0.040 9.793 1.00 1.00 H new ATOM 0 HA SER A 17 -0.673 2.489 8.948 1.00 1.00 H new ATOM 0 HB2 SER A 17 -2.278 2.629 10.798 1.00 1.00 H new ATOM 0 HB3 SER A 17 -1.093 2.053 11.954 1.00 1.00 H new ATOM 0 HG SER A 17 0.145 3.979 11.562 1.00 1.00 H new ATOM 256 N ALA A 18 1.948 1.484 9.497 1.00 1.00 N ATOM 257 CA ALA A 18 3.420 1.586 9.644 1.00 1.00 C ATOM 258 C ALA A 18 3.874 0.954 10.965 1.00 1.00 C ATOM 259 O ALA A 18 4.683 1.524 11.698 1.00 1.00 O ATOM 260 CB ALA A 18 3.937 3.054 9.543 1.00 1.00 C ATOM 0 H ALA A 18 1.648 0.762 8.842 1.00 1.00 H new ATOM 0 HA ALA A 18 3.856 1.036 8.810 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.021 3.067 9.658 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.670 3.468 8.570 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.482 3.655 10.330 1.00 1.00 H new ATOM 266 N SER A 19 3.339 -0.228 11.256 1.00 1.00 N ATOM 267 CA SER A 19 3.677 -0.973 12.495 1.00 1.00 C ATOM 268 C SER A 19 4.057 -2.433 12.170 1.00 1.00 C ATOM 269 O SER A 19 3.237 -3.207 11.675 1.00 1.00 O ATOM 270 CB SER A 19 2.464 -0.947 13.433 1.00 1.00 C ATOM 271 OG SER A 19 2.183 0.399 13.791 1.00 1.00 O ATOM 0 H SER A 19 2.665 -0.704 10.656 1.00 1.00 H new ATOM 0 HA SER A 19 4.533 -0.499 12.975 1.00 1.00 H new ATOM 0 HB2 SER A 19 1.599 -1.394 12.942 1.00 1.00 H new ATOM 0 HB3 SER A 19 2.666 -1.539 14.325 1.00 1.00 H new ATOM 0 HG SER A 19 1.407 0.423 14.389 1.00 1.00 H new ATOM 277 N THR A 20 5.299 -2.795 12.475 1.00 1.00 N ATOM 278 CA THR A 20 5.780 -4.167 12.227 1.00 1.00 C ATOM 279 C THR A 20 4.996 -5.159 13.086 1.00 1.00 C ATOM 280 O THR A 20 4.832 -6.323 12.717 1.00 1.00 O ATOM 281 CB THR A 20 7.300 -4.264 12.522 1.00 1.00 C ATOM 282 OG1 THR A 20 7.967 -3.223 11.826 1.00 1.00 O ATOM 283 CG2 THR A 20 7.869 -5.619 12.052 1.00 1.00 C ATOM 0 H THR A 20 5.991 -2.171 12.890 1.00 1.00 H new ATOM 0 HA THR A 20 5.620 -4.416 11.178 1.00 1.00 H new ATOM 0 HB THR A 20 7.454 -4.175 13.597 1.00 1.00 H new ATOM 0 HG1 THR A 20 8.929 -3.273 12.006 1.00 1.00 H new ATOM 0 HG21 THR A 20 8.936 -5.661 12.271 1.00 1.00 H new ATOM 0 HG22 THR A 20 7.359 -6.429 12.575 1.00 1.00 H new ATOM 0 HG23 THR A 20 7.714 -5.726 10.978 1.00 1.00 H new ATOM 291 N SER A 21 4.530 -4.693 14.240 1.00 1.00 N ATOM 292 CA SER A 21 3.770 -5.553 15.151 1.00 1.00 C ATOM 293 C SER A 21 2.405 -5.909 14.542 1.00 1.00 C ATOM 294 O SER A 21 1.815 -6.923 14.914 1.00 1.00 O ATOM 295 CB SER A 21 3.571 -4.822 16.486 1.00 1.00 C ATOM 296 OG SER A 21 4.842 -4.535 17.050 1.00 1.00 O ATOM 0 H SER A 21 4.661 -3.736 14.568 1.00 1.00 H new ATOM 0 HA SER A 21 4.325 -6.477 15.316 1.00 1.00 H new ATOM 0 HB2 SER A 21 3.011 -3.900 16.330 1.00 1.00 H new ATOM 0 HB3 SER A 21 2.986 -5.438 17.169 1.00 1.00 H new ATOM 0 HG SER A 21 4.723 -4.066 17.902 1.00 1.00 H new ATOM 302 N SER A 22 1.926 -5.095 13.606 1.00 1.00 N ATOM 303 CA SER A 22 0.634 -5.356 12.944 1.00 1.00 C ATOM 304 C SER A 22 0.739 -6.564 12.028 1.00 1.00 C ATOM 305 O SER A 22 -0.180 -7.377 11.930 1.00 1.00 O ATOM 306 CB SER A 22 0.176 -4.139 12.135 1.00 1.00 C ATOM 307 OG SER A 22 -1.071 -4.442 11.536 1.00 1.00 O ATOM 0 H SER A 22 2.403 -4.253 13.284 1.00 1.00 H new ATOM 0 HA SER A 22 -0.103 -5.557 13.722 1.00 1.00 H new ATOM 0 HB2 SER A 22 0.084 -3.267 12.782 1.00 1.00 H new ATOM 0 HB3 SER A 22 0.913 -3.892 11.371 1.00 1.00 H new ATOM 0 HG SER A 22 -1.037 -4.223 10.581 1.00 1.00 H new ATOM 313 N LYS A 23 1.875 -6.671 11.346 1.00 1.00 N ATOM 314 CA LYS A 23 2.132 -7.795 10.410 1.00 1.00 C ATOM 315 C LYS A 23 1.437 -7.521 9.069 1.00 1.00 C ATOM 316 O LYS A 23 0.924 -6.427 8.829 1.00 1.00 O ATOM 317 CB LYS A 23 1.660 -9.180 11.025 1.00 1.00 C ATOM 318 CG LYS A 23 2.568 -10.380 10.614 1.00 1.00 C ATOM 319 CD LYS A 23 2.136 -11.701 11.353 1.00 1.00 C ATOM 320 CE LYS A 23 2.781 -11.807 12.755 1.00 1.00 C ATOM 321 NZ LYS A 23 4.262 -11.883 12.606 1.00 1.00 N ATOM 0 H LYS A 23 2.641 -6.001 11.414 1.00 1.00 H new ATOM 0 HA LYS A 23 3.207 -7.868 10.242 1.00 1.00 H new ATOM 0 HB2 LYS A 23 1.645 -9.100 12.112 1.00 1.00 H new ATOM 0 HB3 LYS A 23 0.637 -9.381 10.706 1.00 1.00 H new ATOM 0 HG2 LYS A 23 2.512 -10.529 9.536 1.00 1.00 H new ATOM 0 HG3 LYS A 23 3.607 -10.151 10.851 1.00 1.00 H new ATOM 0 HD2 LYS A 23 1.050 -11.727 11.449 1.00 1.00 H new ATOM 0 HD3 LYS A 23 2.424 -12.565 10.753 1.00 1.00 H new ATOM 0 HE2 LYS A 23 2.508 -10.943 13.361 1.00 1.00 H new ATOM 0 HE3 LYS A 23 2.409 -12.691 13.274 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 4.667 -12.393 13.417 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 4.497 -12.388 11.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 4.657 -10.922 12.569 1.00 1.00 H new ATOM 335 N VAL A 24 1.422 -8.532 8.207 1.00 1.00 N ATOM 336 CA VAL A 24 0.793 -8.430 6.888 1.00 1.00 C ATOM 337 C VAL A 24 -0.716 -8.702 7.006 1.00 1.00 C ATOM 338 O VAL A 24 -1.149 -9.842 7.172 1.00 1.00 O ATOM 339 CB VAL A 24 1.466 -9.448 5.920 1.00 1.00 C ATOM 340 CG1 VAL A 24 0.947 -9.251 4.478 1.00 1.00 C ATOM 341 CG2 VAL A 24 3.002 -9.242 5.941 1.00 1.00 C ATOM 0 H VAL A 24 1.842 -9.442 8.398 1.00 1.00 H new ATOM 0 HA VAL A 24 0.927 -7.424 6.490 1.00 1.00 H new ATOM 0 HB VAL A 24 1.220 -10.457 6.249 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.429 -9.971 3.816 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.132 -9.403 4.456 1.00 1.00 H new ATOM 0 HG13 VAL A 24 1.178 -8.240 4.143 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.474 -9.954 5.264 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.237 -8.227 5.622 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.377 -9.400 6.952 1.00 1.00 H new ATOM 351 N ILE A 25 -1.505 -7.636 6.912 1.00 1.00 N ATOM 352 CA ILE A 25 -2.983 -7.754 7.011 1.00 1.00 C ATOM 353 C ILE A 25 -3.605 -7.879 5.618 1.00 1.00 C ATOM 354 O ILE A 25 -4.743 -8.318 5.462 1.00 1.00 O ATOM 355 CB ILE A 25 -3.571 -6.515 7.759 1.00 1.00 C ATOM 356 CG1 ILE A 25 -3.203 -5.173 7.031 1.00 1.00 C ATOM 357 CG2 ILE A 25 -3.013 -6.482 9.208 1.00 1.00 C ATOM 358 CD1 ILE A 25 -4.035 -4.012 7.586 1.00 1.00 C ATOM 0 H ILE A 25 -1.165 -6.685 6.769 1.00 1.00 H new ATOM 0 HA ILE A 25 -3.224 -8.654 7.577 1.00 1.00 H new ATOM 0 HB ILE A 25 -4.657 -6.608 7.770 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -2.142 -4.962 7.161 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -3.379 -5.274 5.960 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.420 -5.619 9.735 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -3.301 -7.395 9.730 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -1.926 -6.409 9.178 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -3.765 -3.091 7.069 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -5.094 -4.218 7.432 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -3.838 -3.900 8.652 1.00 1.00 H new ATOM 370 N GLY A 26 -2.843 -7.464 4.612 1.00 1.00 N ATOM 371 CA GLY A 26 -3.315 -7.517 3.212 1.00 1.00 C ATOM 372 C GLY A 26 -2.170 -7.829 2.263 1.00 1.00 C ATOM 373 O GLY A 26 -1.103 -8.285 2.672 1.00 1.00 O ATOM 0 H GLY A 26 -1.902 -7.088 4.727 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.090 -8.277 3.114 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -3.767 -6.563 2.941 1.00 1.00 H new ATOM 377 N SER A 27 -2.404 -7.576 0.979 1.00 1.00 N ATOM 378 CA SER A 27 -1.370 -7.828 -0.035 1.00 1.00 C ATOM 379 C SER A 27 -1.682 -7.046 -1.299 1.00 1.00 C ATOM 380 O SER A 27 -2.799 -7.095 -1.815 1.00 1.00 O ATOM 381 CB SER A 27 -1.294 -9.328 -0.353 1.00 1.00 C ATOM 382 OG SER A 27 -0.311 -9.549 -1.355 1.00 1.00 O ATOM 0 H SER A 27 -3.281 -7.204 0.615 1.00 1.00 H new ATOM 0 HA SER A 27 -0.407 -7.502 0.357 1.00 1.00 H new ATOM 0 HB2 SER A 27 -1.044 -9.890 0.547 1.00 1.00 H new ATOM 0 HB3 SER A 27 -2.264 -9.688 -0.694 1.00 1.00 H new ATOM 0 HG SER A 27 -0.260 -10.506 -1.558 1.00 1.00 H new ATOM 388 N LEU A 28 -0.684 -6.325 -1.801 1.00 1.00 N ATOM 389 CA LEU A 28 -0.844 -5.514 -3.025 1.00 1.00 C ATOM 390 C LEU A 28 -0.055 -6.145 -4.177 1.00 1.00 C ATOM 391 O LEU A 28 0.940 -6.840 -3.967 1.00 1.00 O ATOM 392 CB LEU A 28 -0.355 -4.049 -2.760 1.00 1.00 C ATOM 393 CG LEU A 28 -1.003 -3.025 -3.783 1.00 1.00 C ATOM 394 CD1 LEU A 28 -2.391 -2.546 -3.276 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.085 -1.793 -3.985 1.00 1.00 C ATOM 0 H LEU A 28 0.247 -6.279 -1.387 1.00 1.00 H new ATOM 0 HA LEU A 28 -1.898 -5.485 -3.302 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -0.611 -3.758 -1.741 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.731 -4.007 -2.840 1.00 1.00 H new ATOM 0 HG LEU A 28 -1.125 -3.543 -4.734 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -2.818 -1.844 -3.993 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.055 -3.404 -3.169 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -2.276 -2.053 -2.311 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -0.550 -1.105 -4.691 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.063 -1.289 -3.030 1.00 1.00 H new ATOM 0 HD23 LEU A 28 0.879 -2.118 -4.377 1.00 1.00 H new ATOM 407 N SER A 29 -0.513 -5.888 -5.398 1.00 1.00 N ATOM 408 CA SER A 29 0.139 -6.425 -6.603 1.00 1.00 C ATOM 409 C SER A 29 1.183 -5.436 -7.118 1.00 1.00 C ATOM 410 O SER A 29 1.038 -4.225 -6.958 1.00 1.00 O ATOM 411 CB SER A 29 -0.924 -6.673 -7.682 1.00 1.00 C ATOM 412 OG SER A 29 -1.861 -7.625 -7.199 1.00 1.00 O ATOM 0 H SER A 29 -1.333 -5.312 -5.587 1.00 1.00 H new ATOM 0 HA SER A 29 0.638 -7.363 -6.359 1.00 1.00 H new ATOM 0 HB2 SER A 29 -1.430 -5.741 -7.933 1.00 1.00 H new ATOM 0 HB3 SER A 29 -0.455 -7.037 -8.596 1.00 1.00 H new ATOM 0 HG SER A 29 -2.544 -7.787 -7.882 1.00 1.00 H new ATOM 418 N GLY A 30 2.228 -5.963 -7.747 1.00 1.00 N ATOM 419 CA GLY A 30 3.295 -5.125 -8.296 1.00 1.00 C ATOM 420 C GLY A 30 2.825 -4.429 -9.572 1.00 1.00 C ATOM 421 O GLY A 30 2.006 -4.964 -10.319 1.00 1.00 O ATOM 0 H GLY A 30 2.361 -6.964 -7.891 1.00 1.00 H new ATOM 0 HA2 GLY A 30 3.597 -4.381 -7.559 1.00 1.00 H new ATOM 0 HA3 GLY A 30 4.172 -5.736 -8.510 1.00 1.00 H new ATOM 425 N ASN A 31 3.352 -3.232 -9.815 1.00 1.00 N ATOM 426 CA ASN A 31 2.988 -2.445 -11.003 1.00 1.00 C ATOM 427 C ASN A 31 1.509 -2.041 -10.948 1.00 1.00 C ATOM 428 O ASN A 31 0.803 -2.077 -11.957 1.00 1.00 O ATOM 429 CB ASN A 31 3.295 -3.234 -12.311 1.00 1.00 C ATOM 430 CG ASN A 31 3.198 -2.328 -13.537 1.00 1.00 C ATOM 431 OD1 ASN A 31 2.263 -2.450 -14.327 1.00 1.00 O ATOM 432 ND2 ASN A 31 4.116 -1.427 -13.745 1.00 1.00 N ATOM 0 H ASN A 31 4.035 -2.780 -9.207 1.00 1.00 H new ATOM 0 HA ASN A 31 3.593 -1.538 -11.008 1.00 1.00 H new ATOM 0 HB2 ASN A 31 4.294 -3.666 -12.253 1.00 1.00 H new ATOM 0 HB3 ASN A 31 2.595 -4.063 -12.412 1.00 1.00 H new ATOM 0 HD21 ASN A 31 4.060 -0.821 -14.564 1.00 1.00 H new ATOM 0 HD22 ASN A 31 4.891 -1.327 -13.089 1.00 1.00 H new ATOM 439 N THR A 32 1.056 -1.654 -9.761 1.00 1.00 N ATOM 440 CA THR A 32 -0.352 -1.222 -9.544 1.00 1.00 C ATOM 441 C THR A 32 -0.420 0.304 -9.348 1.00 1.00 C ATOM 442 O THR A 32 0.274 0.863 -8.499 1.00 1.00 O ATOM 443 CB THR A 32 -0.948 -1.948 -8.312 1.00 1.00 C ATOM 444 OG1 THR A 32 -0.778 -3.347 -8.480 1.00 1.00 O ATOM 445 CG2 THR A 32 -2.460 -1.645 -8.167 1.00 1.00 C ATOM 0 H THR A 32 1.633 -1.625 -8.920 1.00 1.00 H new ATOM 0 HA THR A 32 -0.938 -1.485 -10.425 1.00 1.00 H new ATOM 0 HB THR A 32 -0.433 -1.597 -7.417 1.00 1.00 H new ATOM 0 HG1 THR A 32 -0.397 -3.731 -7.663 1.00 1.00 H new ATOM 0 HG21 THR A 32 -2.854 -2.167 -7.295 1.00 1.00 H new ATOM 0 HG22 THR A 32 -2.606 -0.572 -8.044 1.00 1.00 H new ATOM 0 HG23 THR A 32 -2.986 -1.983 -9.060 1.00 1.00 H new ATOM 453 N LYS A 33 -1.274 0.957 -10.129 1.00 1.00 N ATOM 454 CA LYS A 33 -1.435 2.414 -10.040 1.00 1.00 C ATOM 455 C LYS A 33 -2.270 2.769 -8.810 1.00 1.00 C ATOM 456 O LYS A 33 -3.159 2.020 -8.404 1.00 1.00 O ATOM 457 CB LYS A 33 -2.139 2.935 -11.308 1.00 1.00 C ATOM 458 CG LYS A 33 -1.270 2.652 -12.554 1.00 1.00 C ATOM 459 CD LYS A 33 -1.974 3.181 -13.822 1.00 1.00 C ATOM 460 CE LYS A 33 -1.114 2.901 -15.066 1.00 1.00 C ATOM 461 NZ LYS A 33 -1.814 3.430 -16.269 1.00 1.00 N ATOM 0 H LYS A 33 -1.865 0.508 -10.829 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.452 2.878 -9.953 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -3.111 2.454 -11.417 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.321 4.006 -11.218 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.296 3.129 -12.444 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -1.092 1.581 -12.647 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.949 2.705 -13.931 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -2.151 4.252 -13.728 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -0.137 3.372 -14.962 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -0.942 1.830 -15.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -1.238 3.244 -17.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -2.737 2.961 -16.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -1.956 4.455 -16.165 1.00 1.00 H new ATOM 475 N VAL A 34 -1.961 3.917 -8.215 1.00 1.00 N ATOM 476 CA VAL A 34 -2.669 4.377 -7.020 1.00 1.00 C ATOM 477 C VAL A 34 -2.538 5.896 -6.875 1.00 1.00 C ATOM 478 O VAL A 34 -1.521 6.481 -7.246 1.00 1.00 O ATOM 479 CB VAL A 34 -2.098 3.638 -5.785 1.00 1.00 C ATOM 480 CG1 VAL A 34 -0.569 3.852 -5.680 1.00 1.00 C ATOM 481 CG2 VAL A 34 -2.790 4.117 -4.485 1.00 1.00 C ATOM 0 H VAL A 34 -1.227 4.547 -8.538 1.00 1.00 H new ATOM 0 HA VAL A 34 -3.732 4.150 -7.106 1.00 1.00 H new ATOM 0 HB VAL A 34 -2.296 2.574 -5.911 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -0.187 3.325 -4.806 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -0.085 3.466 -6.577 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -0.356 4.917 -5.583 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -2.371 3.583 -3.632 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -2.627 5.187 -4.359 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -3.860 3.918 -4.548 1.00 1.00 H new ATOM 491 N THR A 35 -3.568 6.521 -6.314 1.00 1.00 N ATOM 492 CA THR A 35 -3.566 7.978 -6.099 1.00 1.00 C ATOM 493 C THR A 35 -2.888 8.310 -4.771 1.00 1.00 C ATOM 494 O THR A 35 -3.554 8.483 -3.750 1.00 1.00 O ATOM 495 CB THR A 35 -5.020 8.496 -6.096 1.00 1.00 C ATOM 496 OG1 THR A 35 -5.728 7.895 -5.022 1.00 1.00 O ATOM 497 CG2 THR A 35 -5.710 8.137 -7.423 1.00 1.00 C ATOM 0 H THR A 35 -4.416 6.050 -5.998 1.00 1.00 H new ATOM 0 HA THR A 35 -3.012 8.462 -6.903 1.00 1.00 H new ATOM 0 HB THR A 35 -5.014 9.580 -5.978 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.253 8.065 -4.182 1.00 1.00 H new ATOM 0 HG21 THR A 35 -6.735 8.507 -7.412 1.00 1.00 H new ATOM 0 HG22 THR A 35 -5.168 8.595 -8.250 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.716 7.054 -7.549 1.00 1.00 H new ATOM 505 N ILE A 36 -1.561 8.403 -4.792 1.00 1.00 N ATOM 506 CA ILE A 36 -0.784 8.716 -3.573 1.00 1.00 C ATOM 507 C ILE A 36 -1.365 9.966 -2.876 1.00 1.00 C ATOM 508 O ILE A 36 -2.237 10.638 -3.426 1.00 1.00 O ATOM 509 CB ILE A 36 0.729 8.933 -3.934 1.00 1.00 C ATOM 510 CG1 ILE A 36 1.282 7.660 -4.667 1.00 1.00 C ATOM 511 CG2 ILE A 36 1.580 9.211 -2.630 1.00 1.00 C ATOM 512 CD1 ILE A 36 2.676 7.938 -5.264 1.00 1.00 C ATOM 0 H ILE A 36 -0.994 8.269 -5.629 1.00 1.00 H new ATOM 0 HA ILE A 36 -0.855 7.875 -2.884 1.00 1.00 H new ATOM 0 HB ILE A 36 0.811 9.799 -4.591 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.340 6.827 -3.966 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.594 7.363 -5.459 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.625 9.359 -2.902 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.204 10.106 -2.134 1.00 1.00 H new ATOM 0 HG23 ILE A 36 1.498 8.360 -1.954 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.041 7.043 -5.768 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.608 8.756 -5.981 1.00 1.00 H new ATOM 0 HD13 ILE A 36 3.366 8.212 -4.466 1.00 1.00 H new ATOM 524 N VAL A 37 -0.873 10.260 -1.676 1.00 1.00 N ATOM 525 CA VAL A 37 -1.356 11.429 -0.898 1.00 1.00 C ATOM 526 C VAL A 37 -0.179 12.148 -0.209 1.00 1.00 C ATOM 527 O VAL A 37 0.447 13.031 -0.798 1.00 1.00 O ATOM 528 CB VAL A 37 -2.423 10.956 0.145 1.00 1.00 C ATOM 529 CG1 VAL A 37 -3.037 12.175 0.879 1.00 1.00 C ATOM 530 CG2 VAL A 37 -3.552 10.164 -0.570 1.00 1.00 C ATOM 0 H VAL A 37 -0.145 9.718 -1.212 1.00 1.00 H new ATOM 0 HA VAL A 37 -1.823 12.144 -1.575 1.00 1.00 H new ATOM 0 HB VAL A 37 -1.931 10.311 0.873 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -3.777 11.830 1.601 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -2.250 12.721 1.399 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -3.516 12.833 0.154 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -4.290 9.839 0.164 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -4.033 10.804 -1.309 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -3.126 9.292 -1.067 1.00 1.00 H new ATOM 540 N GLY A 38 0.105 11.765 1.032 1.00 1.00 N ATOM 541 CA GLY A 38 1.202 12.386 1.820 1.00 1.00 C ATOM 542 C GLY A 38 2.256 11.364 2.183 1.00 1.00 C ATOM 543 O GLY A 38 2.215 10.225 1.718 1.00 1.00 O ATOM 0 H GLY A 38 -0.400 11.030 1.527 1.00 1.00 H new ATOM 0 HA2 GLY A 38 1.656 13.193 1.245 1.00 1.00 H new ATOM 0 HA3 GLY A 38 0.795 12.832 2.728 1.00 1.00 H new ATOM 547 N GLU A 39 3.208 11.772 3.017 1.00 1.00 N ATOM 548 CA GLU A 39 4.290 10.860 3.460 1.00 1.00 C ATOM 549 C GLU A 39 4.155 10.592 4.984 1.00 1.00 C ATOM 550 O GLU A 39 4.362 11.449 5.842 1.00 1.00 O ATOM 551 CB GLU A 39 5.666 11.520 3.117 1.00 1.00 C ATOM 552 CG GLU A 39 5.683 13.026 3.497 1.00 1.00 C ATOM 553 CD GLU A 39 7.077 13.625 3.274 1.00 1.00 C ATOM 554 OE1 GLU A 39 7.385 13.954 2.140 1.00 1.00 O ATOM 555 OE2 GLU A 39 7.810 13.751 4.242 1.00 1.00 O ATOM 0 H GLU A 39 3.264 12.714 3.403 1.00 1.00 H new ATOM 0 HA GLU A 39 4.220 9.901 2.946 1.00 1.00 H new ATOM 0 HB2 GLU A 39 6.463 11.000 3.649 1.00 1.00 H new ATOM 0 HB3 GLU A 39 5.869 11.410 2.052 1.00 1.00 H new ATOM 0 HG2 GLU A 39 4.950 13.566 2.898 1.00 1.00 H new ATOM 0 HG3 GLU A 39 5.393 13.146 4.541 1.00 1.00 H new ATOM 562 N GLU A 40 3.811 9.341 5.278 1.00 1.00 N ATOM 563 CA GLU A 40 3.649 8.868 6.676 1.00 1.00 C ATOM 564 C GLU A 40 4.874 8.016 7.069 1.00 1.00 C ATOM 565 O GLU A 40 4.944 6.814 6.814 1.00 1.00 O ATOM 566 CB GLU A 40 2.330 8.030 6.785 1.00 1.00 C ATOM 567 CG GLU A 40 1.867 7.836 8.257 1.00 1.00 C ATOM 568 CD GLU A 40 2.939 7.134 9.093 1.00 1.00 C ATOM 569 OE1 GLU A 40 3.328 6.040 8.723 1.00 1.00 O ATOM 570 OE2 GLU A 40 3.368 7.710 10.084 1.00 1.00 O ATOM 0 H GLU A 40 3.636 8.624 4.574 1.00 1.00 H new ATOM 0 HA GLU A 40 3.582 9.716 7.357 1.00 1.00 H new ATOM 0 HB2 GLU A 40 1.540 8.527 6.222 1.00 1.00 H new ATOM 0 HB3 GLU A 40 2.484 7.054 6.325 1.00 1.00 H new ATOM 0 HG2 GLU A 40 1.637 8.806 8.698 1.00 1.00 H new ATOM 0 HG3 GLU A 40 0.948 7.251 8.276 1.00 1.00 H new ATOM 577 N GLY A 41 5.821 8.673 7.731 1.00 1.00 N ATOM 578 CA GLY A 41 7.070 7.973 8.187 1.00 1.00 C ATOM 579 C GLY A 41 7.494 6.799 7.247 1.00 1.00 C ATOM 580 O GLY A 41 7.632 5.651 7.665 1.00 1.00 O ATOM 0 H GLY A 41 5.774 9.663 7.971 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.884 8.696 8.245 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.915 7.586 9.194 1.00 1.00 H new ATOM 584 N ALA A 42 7.675 7.132 5.972 1.00 1.00 N ATOM 585 CA ALA A 42 8.047 6.142 4.924 1.00 1.00 C ATOM 586 C ALA A 42 6.826 5.283 4.506 1.00 1.00 C ATOM 587 O ALA A 42 6.973 4.117 4.140 1.00 1.00 O ATOM 588 CB ALA A 42 9.226 5.224 5.375 1.00 1.00 C ATOM 0 H ALA A 42 7.573 8.084 5.622 1.00 1.00 H new ATOM 0 HA ALA A 42 8.384 6.713 4.059 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.463 4.518 4.579 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.102 5.836 5.590 1.00 1.00 H new ATOM 0 HB3 ALA A 42 8.938 4.676 6.272 1.00 1.00 H new ATOM 594 N PHE A 43 5.638 5.873 4.588 1.00 1.00 N ATOM 595 CA PHE A 43 4.389 5.143 4.206 1.00 1.00 C ATOM 596 C PHE A 43 3.296 6.120 3.762 1.00 1.00 C ATOM 597 O PHE A 43 3.339 7.304 4.103 1.00 1.00 O ATOM 598 CB PHE A 43 3.854 4.276 5.380 1.00 1.00 C ATOM 599 CG PHE A 43 4.959 3.327 5.854 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.225 2.151 5.145 1.00 1.00 C ATOM 601 CD2 PHE A 43 5.744 3.647 6.974 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.265 1.307 5.537 1.00 1.00 C ATOM 603 CE2 PHE A 43 6.780 2.795 7.376 1.00 1.00 C ATOM 604 CZ PHE A 43 7.042 1.626 6.657 1.00 1.00 C ATOM 0 H PHE A 43 5.492 6.831 4.905 1.00 1.00 H new ATOM 0 HA PHE A 43 4.646 4.487 3.374 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.531 4.915 6.202 1.00 1.00 H new ATOM 0 HB3 PHE A 43 2.983 3.706 5.058 1.00 1.00 H new ATOM 0 HD1 PHE A 43 4.621 1.894 4.287 1.00 1.00 H new ATOM 0 HD2 PHE A 43 5.548 4.554 7.527 1.00 1.00 H new ATOM 0 HE1 PHE A 43 6.471 0.407 4.976 1.00 1.00 H new ATOM 0 HE2 PHE A 43 7.377 3.042 8.242 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.843 0.970 6.965 1.00 1.00 H new ATOM 614 N TYR A 44 2.318 5.619 3.015 1.00 1.00 N ATOM 615 CA TYR A 44 1.196 6.471 2.537 1.00 1.00 C ATOM 616 C TYR A 44 -0.103 5.681 2.528 1.00 1.00 C ATOM 617 O TYR A 44 -0.097 4.453 2.623 1.00 1.00 O ATOM 618 CB TYR A 44 1.512 7.022 1.131 1.00 1.00 C ATOM 619 CG TYR A 44 1.853 5.860 0.189 1.00 1.00 C ATOM 620 CD1 TYR A 44 3.111 5.238 0.284 1.00 1.00 C ATOM 621 CD2 TYR A 44 0.934 5.406 -0.779 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.448 4.186 -0.573 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.278 4.349 -1.635 1.00 1.00 C ATOM 624 CZ TYR A 44 2.534 3.743 -1.531 1.00 1.00 C ATOM 625 OH TYR A 44 2.870 2.696 -2.366 1.00 1.00 O ATOM 0 H TYR A 44 2.264 4.643 2.722 1.00 1.00 H new ATOM 0 HA TYR A 44 1.076 7.313 3.219 1.00 1.00 H new ATOM 0 HB2 TYR A 44 0.657 7.577 0.746 1.00 1.00 H new ATOM 0 HB3 TYR A 44 2.348 7.720 1.182 1.00 1.00 H new ATOM 0 HD1 TYR A 44 3.822 5.575 1.024 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -0.036 5.873 -0.862 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.417 3.715 -0.494 1.00 1.00 H new ATOM 0 HE2 TYR A 44 0.572 4.003 -2.375 1.00 1.00 H new ATOM 0 HH TYR A 44 2.124 2.510 -2.974 1.00 1.00 H new ATOM 635 N LYS A 45 -1.221 6.390 2.402 1.00 1.00 N ATOM 636 CA LYS A 45 -2.550 5.760 2.390 1.00 1.00 C ATOM 637 C LYS A 45 -2.913 5.370 0.973 1.00 1.00 C ATOM 638 O LYS A 45 -2.354 5.891 0.009 1.00 1.00 O ATOM 639 CB LYS A 45 -3.602 6.749 2.948 1.00 1.00 C ATOM 640 CG LYS A 45 -3.306 7.057 4.433 1.00 1.00 C ATOM 641 CD LYS A 45 -4.370 8.023 5.004 1.00 1.00 C ATOM 642 CE LYS A 45 -4.048 8.350 6.474 1.00 1.00 C ATOM 643 NZ LYS A 45 -4.017 7.087 7.266 1.00 1.00 N ATOM 0 H LYS A 45 -1.239 7.405 2.306 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.533 4.867 3.015 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -3.589 7.672 2.368 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -4.601 6.324 2.849 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -3.299 6.132 5.009 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -2.315 7.500 4.529 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -4.394 8.940 4.415 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -5.360 7.572 4.931 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -3.087 8.859 6.543 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -4.798 9.029 6.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -4.089 7.311 8.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -4.816 6.483 6.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -3.124 6.585 7.085 1.00 1.00 H new ATOM 657 N ILE A 46 -3.853 4.440 0.850 1.00 1.00 N ATOM 658 CA ILE A 46 -4.296 3.954 -0.465 1.00 1.00 C ATOM 659 C ILE A 46 -5.781 3.591 -0.424 1.00 1.00 C ATOM 660 O ILE A 46 -6.322 3.245 0.626 1.00 1.00 O ATOM 661 CB ILE A 46 -3.441 2.719 -0.894 1.00 1.00 C ATOM 662 CG1 ILE A 46 -3.634 1.521 0.097 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.926 3.104 -0.950 1.00 1.00 C ATOM 664 CD1 ILE A 46 -2.844 0.281 -0.379 1.00 1.00 C ATOM 0 H ILE A 46 -4.327 4.003 1.641 1.00 1.00 H new ATOM 0 HA ILE A 46 -4.157 4.747 -1.200 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.779 2.410 -1.883 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -3.300 1.810 1.093 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -4.693 1.275 0.175 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -1.341 2.235 -1.250 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.781 3.907 -1.673 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -1.599 3.439 0.034 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -2.993 -0.538 0.325 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -3.198 -0.019 -1.365 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.783 0.524 -0.433 1.00 1.00 H new ATOM 676 N GLU A 47 -6.426 3.651 -1.585 1.00 1.00 N ATOM 677 CA GLU A 47 -7.862 3.319 -1.710 1.00 1.00 C ATOM 678 C GLU A 47 -8.022 2.015 -2.486 1.00 1.00 C ATOM 679 O GLU A 47 -8.255 2.022 -3.694 1.00 1.00 O ATOM 680 CB GLU A 47 -8.595 4.469 -2.439 1.00 1.00 C ATOM 681 CG GLU A 47 -8.466 5.775 -1.624 1.00 1.00 C ATOM 682 CD GLU A 47 -9.205 6.919 -2.324 1.00 1.00 C ATOM 683 OE1 GLU A 47 -9.098 7.013 -3.534 1.00 1.00 O ATOM 684 OE2 GLU A 47 -9.863 7.685 -1.635 1.00 1.00 O ATOM 0 H GLU A 47 -5.985 3.926 -2.462 1.00 1.00 H new ATOM 0 HA GLU A 47 -8.296 3.193 -0.718 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -8.173 4.608 -3.434 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -9.647 4.215 -2.572 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -8.874 5.628 -0.624 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -7.414 6.033 -1.504 1.00 1.00 H new ATOM 691 N TYR A 48 -7.912 0.896 -1.776 1.00 1.00 N ATOM 692 CA TYR A 48 -8.041 -0.452 -2.388 1.00 1.00 C ATOM 693 C TYR A 48 -9.216 -1.215 -1.748 1.00 1.00 C ATOM 694 O TYR A 48 -9.401 -1.193 -0.531 1.00 1.00 O ATOM 695 CB TYR A 48 -6.694 -1.238 -2.214 1.00 1.00 C ATOM 696 CG TYR A 48 -6.553 -2.297 -3.330 1.00 1.00 C ATOM 697 CD1 TYR A 48 -6.312 -1.874 -4.654 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.697 -3.675 -3.064 1.00 1.00 C ATOM 699 CE1 TYR A 48 -6.214 -2.810 -5.690 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.601 -4.604 -4.111 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.360 -4.171 -5.419 1.00 1.00 C ATOM 702 OH TYR A 48 -6.282 -5.090 -6.445 1.00 1.00 O ATOM 0 H TYR A 48 -7.733 0.881 -0.772 1.00 1.00 H new ATOM 0 HA TYR A 48 -8.248 -0.351 -3.453 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.852 -0.546 -2.249 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -6.669 -1.721 -1.237 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -6.202 -0.821 -4.870 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.881 -4.014 -2.055 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -6.025 -2.478 -6.700 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -6.714 -5.658 -3.906 1.00 1.00 H new ATOM 0 HH TYR A 48 -6.404 -5.993 -6.085 1.00 1.00 H new ATOM 712 N LYS A 49 -9.999 -1.885 -2.587 1.00 1.00 N ATOM 713 CA LYS A 49 -11.172 -2.647 -2.101 1.00 1.00 C ATOM 714 C LYS A 49 -12.023 -1.799 -1.121 1.00 1.00 C ATOM 715 O LYS A 49 -12.698 -2.335 -0.242 1.00 1.00 O ATOM 716 CB LYS A 49 -10.696 -3.963 -1.419 1.00 1.00 C ATOM 717 CG LYS A 49 -10.244 -5.006 -2.473 1.00 1.00 C ATOM 718 CD LYS A 49 -9.749 -6.298 -1.771 1.00 1.00 C ATOM 719 CE LYS A 49 -9.437 -7.388 -2.809 1.00 1.00 C ATOM 720 NZ LYS A 49 -8.960 -8.612 -2.110 1.00 1.00 N ATOM 0 H LYS A 49 -9.856 -1.924 -3.596 1.00 1.00 H new ATOM 0 HA LYS A 49 -11.803 -2.896 -2.954 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -9.871 -3.747 -0.740 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.505 -4.377 -0.817 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.073 -5.241 -3.141 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -9.447 -4.590 -3.089 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -8.857 -6.081 -1.183 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.509 -6.656 -1.076 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -10.328 -7.614 -3.395 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -8.678 -7.035 -3.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -8.748 -9.351 -2.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.100 -8.390 -1.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.699 -8.951 -1.461 1.00 1.00 H new ATOM 734 N GLY A 50 -11.967 -0.482 -1.288 1.00 1.00 N ATOM 735 CA GLY A 50 -12.735 0.420 -0.415 1.00 1.00 C ATOM 736 C GLY A 50 -12.195 0.383 1.014 1.00 1.00 C ATOM 737 O GLY A 50 -12.916 0.682 1.966 1.00 1.00 O ATOM 0 H GLY A 50 -11.411 -0.015 -2.004 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.684 1.438 -0.801 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.786 0.130 -0.419 1.00 1.00 H new ATOM 741 N SER A 51 -10.933 -0.008 1.156 1.00 1.00 N ATOM 742 CA SER A 51 -10.266 -0.124 2.474 1.00 1.00 C ATOM 743 C SER A 51 -8.940 0.630 2.479 1.00 1.00 C ATOM 744 O SER A 51 -8.421 1.034 1.438 1.00 1.00 O ATOM 745 CB SER A 51 -9.996 -1.602 2.779 1.00 1.00 C ATOM 746 OG SER A 51 -9.029 -2.096 1.865 1.00 1.00 O ATOM 0 H SER A 51 -10.333 -0.256 0.369 1.00 1.00 H new ATOM 0 HA SER A 51 -10.921 0.307 3.231 1.00 1.00 H new ATOM 0 HB2 SER A 51 -9.638 -1.715 3.802 1.00 1.00 H new ATOM 0 HB3 SER A 51 -10.918 -2.177 2.698 1.00 1.00 H new ATOM 0 HG SER A 51 -9.303 -1.878 0.950 1.00 1.00 H new ATOM 752 N HIS A 52 -8.406 0.834 3.679 1.00 1.00 N ATOM 753 CA HIS A 52 -7.131 1.560 3.852 1.00 1.00 C ATOM 754 C HIS A 52 -5.958 0.573 3.912 1.00 1.00 C ATOM 755 O HIS A 52 -6.110 -0.589 4.289 1.00 1.00 O ATOM 756 CB HIS A 52 -7.185 2.379 5.157 1.00 1.00 C ATOM 757 CG HIS A 52 -8.353 3.325 5.108 1.00 1.00 C ATOM 758 ND1 HIS A 52 -8.370 4.447 4.294 1.00 1.00 N ATOM 759 CD2 HIS A 52 -9.557 3.326 5.769 1.00 1.00 C ATOM 760 CE1 HIS A 52 -9.548 5.067 4.481 1.00 1.00 C ATOM 761 NE2 HIS A 52 -10.309 4.426 5.372 1.00 1.00 N ATOM 0 H HIS A 52 -8.827 0.512 4.550 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.983 2.227 3.003 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -7.280 1.712 6.014 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.257 2.936 5.288 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -9.872 2.585 6.488 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -9.843 5.973 3.973 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -11.241 4.687 5.692 1.00 1.00 H new ATOM 770 N GLY A 53 -4.784 1.060 3.524 1.00 1.00 N ATOM 771 CA GLY A 53 -3.564 0.235 3.521 1.00 1.00 C ATOM 772 C GLY A 53 -2.318 1.113 3.567 1.00 1.00 C ATOM 773 O GLY A 53 -2.375 2.322 3.341 1.00 1.00 O ATOM 0 H GLY A 53 -4.643 2.019 3.207 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.572 -0.438 4.378 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.543 -0.388 2.627 1.00 1.00 H new ATOM 777 N TYR A 54 -1.183 0.483 3.852 1.00 1.00 N ATOM 778 CA TYR A 54 0.116 1.195 3.935 1.00 1.00 C ATOM 779 C TYR A 54 1.193 0.431 3.165 1.00 1.00 C ATOM 780 O TYR A 54 1.232 -0.799 3.190 1.00 1.00 O ATOM 781 CB TYR A 54 0.509 1.344 5.421 1.00 1.00 C ATOM 782 CG TYR A 54 -0.547 2.211 6.133 1.00 1.00 C ATOM 783 CD1 TYR A 54 -1.772 1.641 6.528 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.317 3.585 6.371 1.00 1.00 C ATOM 785 CE1 TYR A 54 -2.750 2.429 7.152 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.303 4.366 6.994 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.515 3.787 7.386 1.00 1.00 C ATOM 788 OH TYR A 54 -3.481 4.559 7.999 1.00 1.00 O ATOM 0 H TYR A 54 -1.122 -0.519 4.032 1.00 1.00 H new ATOM 0 HA TYR A 54 0.023 2.183 3.485 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.573 0.364 5.894 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.494 1.804 5.506 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -1.959 0.592 6.350 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.619 4.035 6.073 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.688 1.985 7.453 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -1.126 5.417 7.171 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.079 5.059 8.740 1.00 1.00 H new ATOM 798 N VAL A 55 2.074 1.169 2.494 1.00 1.00 N ATOM 799 CA VAL A 55 3.159 0.545 1.691 1.00 1.00 C ATOM 800 C VAL A 55 4.397 1.441 1.708 1.00 1.00 C ATOM 801 O VAL A 55 4.300 2.667 1.766 1.00 1.00 O ATOM 802 CB VAL A 55 2.674 0.284 0.195 1.00 1.00 C ATOM 803 CG1 VAL A 55 2.468 -1.230 -0.066 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.330 1.025 -0.079 1.00 1.00 C ATOM 0 H VAL A 55 2.071 2.189 2.480 1.00 1.00 H new ATOM 0 HA VAL A 55 3.415 -0.418 2.134 1.00 1.00 H new ATOM 0 HB VAL A 55 3.449 0.663 -0.472 1.00 1.00 H new ATOM 0 HG11 VAL A 55 2.137 -1.380 -1.094 1.00 1.00 H new ATOM 0 HG12 VAL A 55 3.408 -1.758 0.093 1.00 1.00 H new ATOM 0 HG13 VAL A 55 1.714 -1.618 0.618 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.013 0.836 -1.105 1.00 1.00 H new ATOM 0 HG22 VAL A 55 0.567 0.661 0.609 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.469 2.096 0.067 1.00 1.00 H new ATOM 814 N ALA A 56 5.565 0.809 1.660 1.00 1.00 N ATOM 815 CA ALA A 56 6.830 1.534 1.681 1.00 1.00 C ATOM 816 C ALA A 56 7.019 2.298 0.365 1.00 1.00 C ATOM 817 O ALA A 56 6.647 1.818 -0.706 1.00 1.00 O ATOM 818 CB ALA A 56 7.979 0.533 1.895 1.00 1.00 C ATOM 0 H ALA A 56 5.662 -0.205 1.606 1.00 1.00 H new ATOM 0 HA ALA A 56 6.827 2.257 2.497 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.929 1.068 1.912 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.838 0.014 2.843 1.00 1.00 H new ATOM 0 HB3 ALA A 56 7.986 -0.193 1.082 1.00 1.00 H new ATOM 824 N LYS A 57 7.601 3.489 0.461 1.00 1.00 N ATOM 825 CA LYS A 57 7.848 4.323 -0.737 1.00 1.00 C ATOM 826 C LYS A 57 9.188 3.960 -1.364 1.00 1.00 C ATOM 827 O LYS A 57 9.341 4.032 -2.583 1.00 1.00 O ATOM 828 CB LYS A 57 7.829 5.828 -0.375 1.00 1.00 C ATOM 829 CG LYS A 57 6.422 6.252 0.141 1.00 1.00 C ATOM 830 CD LYS A 57 6.292 7.800 0.238 1.00 1.00 C ATOM 831 CE LYS A 57 7.385 8.405 1.153 1.00 1.00 C ATOM 832 NZ LYS A 57 8.667 8.488 0.397 1.00 1.00 N ATOM 0 H LYS A 57 7.911 3.905 1.339 1.00 1.00 H new ATOM 0 HA LYS A 57 7.051 4.129 -1.455 1.00 1.00 H new ATOM 0 HB2 LYS A 57 8.579 6.033 0.389 1.00 1.00 H new ATOM 0 HB3 LYS A 57 8.095 6.421 -1.250 1.00 1.00 H new ATOM 0 HG2 LYS A 57 5.655 5.863 -0.529 1.00 1.00 H new ATOM 0 HG3 LYS A 57 6.244 5.809 1.121 1.00 1.00 H new ATOM 0 HD2 LYS A 57 6.368 8.236 -0.758 1.00 1.00 H new ATOM 0 HD3 LYS A 57 5.307 8.060 0.625 1.00 1.00 H new ATOM 0 HE2 LYS A 57 7.084 9.396 1.492 1.00 1.00 H new ATOM 0 HE3 LYS A 57 7.513 7.789 2.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.352 7.818 0.801 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 8.498 8.250 -0.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 9.047 9.454 0.463 1.00 1.00 H new ATOM 846 N GLU A 58 10.151 3.572 -0.535 1.00 1.00 N ATOM 847 CA GLU A 58 11.486 3.212 -1.039 1.00 1.00 C ATOM 848 C GLU A 58 11.367 2.162 -2.158 1.00 1.00 C ATOM 849 O GLU A 58 12.087 2.224 -3.153 1.00 1.00 O ATOM 850 CB GLU A 58 12.343 2.668 0.127 1.00 1.00 C ATOM 851 CG GLU A 58 13.803 2.420 -0.323 1.00 1.00 C ATOM 852 CD GLU A 58 14.642 1.901 0.851 1.00 1.00 C ATOM 853 OE1 GLU A 58 14.179 0.994 1.523 1.00 1.00 O ATOM 854 OE2 GLU A 58 15.731 2.413 1.054 1.00 1.00 O ATOM 0 H GLU A 58 10.043 3.497 0.476 1.00 1.00 H new ATOM 0 HA GLU A 58 11.968 4.097 -1.453 1.00 1.00 H new ATOM 0 HB2 GLU A 58 12.330 3.378 0.954 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.911 1.739 0.498 1.00 1.00 H new ATOM 0 HG2 GLU A 58 13.821 1.698 -1.139 1.00 1.00 H new ATOM 0 HG3 GLU A 58 14.234 3.345 -0.706 1.00 1.00 H new ATOM 861 N TYR A 59 10.456 1.211 -1.981 1.00 1.00 N ATOM 862 CA TYR A 59 10.228 0.152 -2.990 1.00 1.00 C ATOM 863 C TYR A 59 10.085 0.768 -4.403 1.00 1.00 C ATOM 864 O TYR A 59 10.351 0.105 -5.406 1.00 1.00 O ATOM 865 CB TYR A 59 8.942 -0.664 -2.610 1.00 1.00 C ATOM 866 CG TYR A 59 9.291 -1.814 -1.645 1.00 1.00 C ATOM 867 CD1 TYR A 59 9.881 -1.519 -0.404 1.00 1.00 C ATOM 868 CD2 TYR A 59 9.038 -3.163 -1.988 1.00 1.00 C ATOM 869 CE1 TYR A 59 10.214 -2.553 0.480 1.00 1.00 C ATOM 870 CE2 TYR A 59 9.372 -4.189 -1.097 1.00 1.00 C ATOM 871 CZ TYR A 59 9.960 -3.884 0.135 1.00 1.00 C ATOM 872 OH TYR A 59 10.290 -4.898 1.011 1.00 1.00 O ATOM 0 H TYR A 59 9.860 1.141 -1.156 1.00 1.00 H new ATOM 0 HA TYR A 59 11.086 -0.520 -3.002 1.00 1.00 H new ATOM 0 HB2 TYR A 59 8.210 -0.003 -2.146 1.00 1.00 H new ATOM 0 HB3 TYR A 59 8.481 -1.067 -3.512 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.078 -0.493 -0.131 1.00 1.00 H new ATOM 0 HD2 TYR A 59 8.586 -3.401 -2.940 1.00 1.00 H new ATOM 0 HE1 TYR A 59 10.669 -2.321 1.432 1.00 1.00 H new ATOM 0 HE2 TYR A 59 9.176 -5.218 -1.361 1.00 1.00 H new ATOM 0 HH TYR A 59 10.046 -5.762 0.618 1.00 1.00 H new ATOM 882 N ILE A 60 9.672 2.030 -4.458 1.00 1.00 N ATOM 883 CA ILE A 60 9.500 2.736 -5.743 1.00 1.00 C ATOM 884 C ILE A 60 10.871 3.235 -6.216 1.00 1.00 C ATOM 885 O ILE A 60 11.446 4.057 -5.524 1.00 1.00 O ATOM 886 CB ILE A 60 8.520 3.936 -5.559 1.00 1.00 C ATOM 887 CG1 ILE A 60 7.167 3.411 -4.975 1.00 1.00 C ATOM 888 CG2 ILE A 60 8.274 4.642 -6.925 1.00 1.00 C ATOM 889 CD1 ILE A 60 6.245 4.577 -4.586 1.00 1.00 C ATOM 890 OXT ILE A 60 11.324 2.782 -7.256 1.00 1.00 O ATOM 0 H ILE A 60 9.448 2.592 -3.636 1.00 1.00 H new ATOM 0 HA ILE A 60 9.081 2.060 -6.489 1.00 1.00 H new ATOM 0 HB ILE A 60 8.958 4.658 -4.870 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.670 2.780 -5.711 1.00 1.00 H new ATOM 0 HG13 ILE A 60 7.361 2.789 -4.101 1.00 1.00 H new ATOM 0 HG21 ILE A 60 7.589 5.478 -6.784 1.00 1.00 H new ATOM 0 HG22 ILE A 60 9.221 5.011 -7.319 1.00 1.00 H new ATOM 0 HG23 ILE A 60 7.840 3.932 -7.629 1.00 1.00 H new ATOM 0 HD11 ILE A 60 5.312 4.184 -4.183 1.00 1.00 H new ATOM 0 HD12 ILE A 60 6.735 5.193 -3.832 1.00 1.00 H new ATOM 0 HD13 ILE A 60 6.033 5.183 -5.467 1.00 1.00 H new TER 902 ILE A 60