USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 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 TYR OH : rot 50:sc= 0.452 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 GLN : amide:sc= 0.21 K(o=0.66,f=0.12) USER MOD Set 2.1: A 24 SER OG : rot 35:sc= 0.241 USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.241 (180deg=-0.94) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.36! C(o=-3.4!,f=-6.4!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.238 F(o=-1.7!,f=-0.24) USER MOD Single : A 13 TYR OH : rot -144:sc= 0.00435 USER MOD Single : A 17 ASN : amide:sc= 1.07 K(o=1.1,f=-0.035) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -110:sc= 1.24 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 32 ASN : amide:sc=-0.00471 X(o=-0.0047,f=-0.26) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0556) USER MOD Single : A 41 LYS NZ :NH3+ -129:sc= -0.273 (180deg=-1.58!) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.125 (180deg=-0.499) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0629 (180deg=-0.416) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.036 K(o=-0.036,f=-1.5) USER MOD Single : A 69 TYR OH : rot -103:sc= 0.331 USER MOD Single : A 70 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 1.73 (180deg=0.85!) USER MOD Single : A 72 LYS NZ :NH3+ -116:sc= -0.205 (180deg=-1.66!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 83 HIS : no HE2:sc= 0.452 K(o=0.45,f=-6.3!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.868 4.550 -13.162 1.00 0.00 N ATOM 2 CA MET A 1 14.362 3.159 -13.212 1.00 0.00 C ATOM 3 C MET A 1 15.055 2.303 -12.165 1.00 0.00 C ATOM 4 O MET A 1 15.934 1.507 -12.495 1.00 0.00 O ATOM 5 CB MET A 1 14.588 2.540 -14.595 1.00 0.00 C ATOM 6 CG MET A 1 13.678 3.082 -15.683 1.00 0.00 C ATOM 7 SD MET A 1 14.007 2.325 -17.288 1.00 0.00 S ATOM 8 CE MET A 1 13.755 0.590 -16.908 1.00 0.00 C ATOM 0 H1 MET A 1 14.384 5.122 -13.884 1.00 0.00 H new ATOM 0 H2 MET A 1 14.684 4.953 -12.221 1.00 0.00 H new ATOM 0 H3 MET A 1 15.892 4.554 -13.346 1.00 0.00 H new ATOM 0 HA MET A 1 13.292 3.191 -13.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.624 2.707 -14.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.446 1.462 -14.524 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.639 2.905 -15.406 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.809 4.161 -15.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.552 0.042 -17.828 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.651 0.187 -16.435 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.908 0.485 -16.229 1.00 0.00 H new ATOM 20 N ASP A 2 14.661 2.494 -10.909 1.00 0.00 N ATOM 21 CA ASP A 2 15.208 1.735 -9.781 1.00 0.00 C ATOM 22 C ASP A 2 16.719 1.931 -9.655 1.00 0.00 C ATOM 23 O ASP A 2 17.512 1.202 -10.257 1.00 0.00 O ATOM 24 CB ASP A 2 14.867 0.247 -9.917 1.00 0.00 C ATOM 25 CG ASP A 2 15.351 -0.580 -8.744 1.00 0.00 C ATOM 26 OD1 ASP A 2 14.720 -0.523 -7.669 1.00 0.00 O ATOM 27 OD2 ASP A 2 16.348 -1.313 -8.898 1.00 0.00 O ATOM 0 H ASP A 2 13.954 3.178 -10.641 1.00 0.00 H new ATOM 0 HA ASP A 2 14.747 2.116 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.787 0.135 -10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.310 -0.139 -10.835 1.00 0.00 H new ATOM 32 N PHE A 3 17.112 2.941 -8.894 1.00 0.00 N ATOM 33 CA PHE A 3 18.522 3.208 -8.649 1.00 0.00 C ATOM 34 C PHE A 3 18.686 4.052 -7.392 1.00 0.00 C ATOM 35 O PHE A 3 19.318 3.625 -6.425 1.00 0.00 O ATOM 36 CB PHE A 3 19.158 3.914 -9.853 1.00 0.00 C ATOM 37 CG PHE A 3 20.655 4.021 -9.766 1.00 0.00 C ATOM 38 CD1 PHE A 3 21.461 2.956 -10.132 1.00 0.00 C ATOM 39 CD2 PHE A 3 21.256 5.184 -9.313 1.00 0.00 C ATOM 40 CE1 PHE A 3 22.837 3.050 -10.052 1.00 0.00 C ATOM 41 CE2 PHE A 3 22.632 5.283 -9.231 1.00 0.00 C ATOM 42 CZ PHE A 3 23.423 4.214 -9.598 1.00 0.00 C ATOM 0 H PHE A 3 16.474 3.590 -8.435 1.00 0.00 H new ATOM 0 HA PHE A 3 19.033 2.256 -8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.893 3.374 -10.762 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.735 4.915 -9.942 1.00 0.00 H new ATOM 0 HD1 PHE A 3 21.008 2.041 -10.484 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.642 6.023 -9.021 1.00 0.00 H new ATOM 0 HE1 PHE A 3 23.454 2.213 -10.345 1.00 0.00 H new ATOM 0 HE2 PHE A 3 23.088 6.197 -8.880 1.00 0.00 H new ATOM 0 HZ PHE A 3 24.498 4.288 -9.530 1.00 0.00 H new ATOM 52 N GLY A 4 18.113 5.252 -7.410 1.00 0.00 N ATOM 53 CA GLY A 4 18.159 6.119 -6.247 1.00 0.00 C ATOM 54 C GLY A 4 17.302 5.593 -5.116 1.00 0.00 C ATOM 55 O GLY A 4 16.372 4.814 -5.347 1.00 0.00 O ATOM 0 H GLY A 4 17.616 5.640 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.190 6.215 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.821 7.117 -6.525 1.00 0.00 H new ATOM 59 N LYS A 5 17.605 6.014 -3.897 1.00 0.00 N ATOM 60 CA LYS A 5 16.894 5.531 -2.719 1.00 0.00 C ATOM 61 C LYS A 5 16.034 6.635 -2.113 1.00 0.00 C ATOM 62 O LYS A 5 16.518 7.451 -1.323 1.00 0.00 O ATOM 63 CB LYS A 5 17.887 5.010 -1.676 1.00 0.00 C ATOM 64 CG LYS A 5 18.765 3.883 -2.189 1.00 0.00 C ATOM 65 CD LYS A 5 19.819 3.488 -1.170 1.00 0.00 C ATOM 66 CE LYS A 5 20.713 2.386 -1.707 1.00 0.00 C ATOM 67 NZ LYS A 5 21.778 2.005 -0.744 1.00 0.00 N ATOM 0 H LYS A 5 18.341 6.691 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 5 16.241 4.715 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.521 5.833 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.336 4.662 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.146 3.018 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.251 4.192 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.424 4.358 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.335 3.153 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.107 1.511 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.171 2.715 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.363 1.249 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.374 2.833 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.343 1.666 0.138 1.00 0.00 H new ATOM 81 N PRO A 6 14.749 6.690 -2.493 1.00 0.00 N ATOM 82 CA PRO A 6 13.816 7.683 -1.982 1.00 0.00 C ATOM 83 C PRO A 6 13.112 7.212 -0.712 1.00 0.00 C ATOM 84 O PRO A 6 12.743 6.043 -0.591 1.00 0.00 O ATOM 85 CB PRO A 6 12.818 7.820 -3.129 1.00 0.00 C ATOM 86 CG PRO A 6 12.787 6.474 -3.782 1.00 0.00 C ATOM 87 CD PRO A 6 14.098 5.789 -3.460 1.00 0.00 C ATOM 0 HA PRO A 6 14.306 8.615 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.832 8.103 -2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.129 8.592 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.946 5.887 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.659 6.572 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.936 4.799 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.708 5.656 -4.354 1.00 0.00 H new ATOM 95 N ASN A 7 12.931 8.125 0.231 1.00 0.00 N ATOM 96 CA ASN A 7 12.222 7.811 1.463 1.00 0.00 C ATOM 97 C ASN A 7 10.715 7.809 1.206 1.00 0.00 C ATOM 98 O ASN A 7 10.008 8.769 1.522 1.00 0.00 O ATOM 99 CB ASN A 7 12.586 8.822 2.558 1.00 0.00 C ATOM 100 CG ASN A 7 12.047 8.428 3.919 1.00 0.00 C ATOM 101 OD1 ASN A 7 11.896 7.249 4.224 1.00 0.00 O ATOM 102 ND2 ASN A 7 11.768 9.414 4.754 1.00 0.00 N ATOM 0 H ASN A 7 13.264 9.087 0.167 1.00 0.00 H new ATOM 0 HA ASN A 7 12.519 6.819 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.670 8.916 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.195 9.802 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.414 9.207 5.688 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.907 10.382 4.464 1.00 0.00 H new ATOM 109 N GLN A 8 10.241 6.736 0.580 1.00 0.00 N ATOM 110 CA GLN A 8 8.843 6.623 0.186 1.00 0.00 C ATOM 111 C GLN A 8 8.307 5.223 0.456 1.00 0.00 C ATOM 112 O GLN A 8 8.956 4.223 0.146 1.00 0.00 O ATOM 113 CB GLN A 8 8.674 6.935 -1.307 1.00 0.00 C ATOM 114 CG GLN A 8 8.926 8.386 -1.684 1.00 0.00 C ATOM 115 CD GLN A 8 8.873 8.606 -3.184 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.211 7.715 -3.965 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.436 9.781 -3.600 1.00 0.00 N ATOM 0 H GLN A 8 10.811 5.927 0.334 1.00 0.00 H new ATOM 0 HA GLN A 8 8.281 7.344 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.355 6.302 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.662 6.666 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.183 9.020 -1.199 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.902 8.693 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.165 10.494 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.369 9.976 -4.599 1.00 0.00 H new ATOM 126 N VAL A 9 7.120 5.158 1.033 1.00 0.00 N ATOM 127 CA VAL A 9 6.429 3.894 1.212 1.00 0.00 C ATOM 128 C VAL A 9 5.497 3.650 0.030 1.00 0.00 C ATOM 129 O VAL A 9 4.727 4.531 -0.352 1.00 0.00 O ATOM 130 CB VAL A 9 5.624 3.872 2.530 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.827 2.586 2.663 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.553 4.044 3.720 1.00 0.00 C ATOM 0 H VAL A 9 6.613 5.969 1.387 1.00 0.00 H new ATOM 0 HA VAL A 9 7.176 3.102 1.263 1.00 0.00 H new ATOM 0 HB VAL A 9 4.921 4.704 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.270 2.598 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.131 2.501 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.507 1.734 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.971 4.026 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.280 3.232 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.075 4.997 3.639 1.00 0.00 H new ATOM 142 N THR A 10 5.576 2.469 -0.557 1.00 0.00 N ATOM 143 CA THR A 10 4.789 2.155 -1.734 1.00 0.00 C ATOM 144 C THR A 10 3.536 1.376 -1.350 1.00 0.00 C ATOM 145 O THR A 10 3.593 0.173 -1.107 1.00 0.00 O ATOM 146 CB THR A 10 5.611 1.334 -2.743 1.00 0.00 C ATOM 147 OG1 THR A 10 6.899 1.940 -2.917 1.00 0.00 O ATOM 148 CG2 THR A 10 4.901 1.254 -4.085 1.00 0.00 C ATOM 0 H THR A 10 6.179 1.711 -0.236 1.00 0.00 H new ATOM 0 HA THR A 10 4.499 3.098 -2.198 1.00 0.00 H new ATOM 0 HB THR A 10 5.726 0.323 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.423 1.416 -3.558 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.502 0.669 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.930 0.777 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.761 2.259 -4.483 1.00 0.00 H new ATOM 156 N VAL A 11 2.410 2.070 -1.291 1.00 0.00 N ATOM 157 CA VAL A 11 1.150 1.430 -0.942 1.00 0.00 C ATOM 158 C VAL A 11 0.473 0.890 -2.201 1.00 0.00 C ATOM 159 O VAL A 11 0.202 1.635 -3.144 1.00 0.00 O ATOM 160 CB VAL A 11 0.194 2.417 -0.232 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.109 1.735 0.155 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.869 3.020 0.993 1.00 0.00 C ATOM 0 H VAL A 11 2.342 3.070 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 11 1.371 0.611 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.044 3.220 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.762 2.453 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.602 1.357 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.899 0.906 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.184 3.712 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.139 2.225 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.768 3.555 0.687 1.00 0.00 H new ATOM 172 N ASN A 12 0.231 -0.414 -2.215 1.00 0.00 N ATOM 173 CA ASN A 12 -0.403 -1.060 -3.355 1.00 0.00 C ATOM 174 C ASN A 12 -1.747 -1.653 -2.964 1.00 0.00 C ATOM 175 O ASN A 12 -1.843 -2.424 -2.012 1.00 0.00 O ATOM 176 CB ASN A 12 0.500 -2.156 -3.937 1.00 0.00 C ATOM 177 CG ASN A 12 1.702 -1.603 -4.685 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.556 -0.415 -5.256 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 2.755 -2.234 -4.756 1.00 0.00 N flip ATOM 0 H ASN A 12 0.465 -1.045 -1.449 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.564 -0.298 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.847 -2.800 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.085 -2.780 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.835 -3.146 -4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.549 -1.846 -5.265 1.00 0.00 H new ATOM 186 N TYR A 13 -2.781 -1.281 -3.704 1.00 0.00 N ATOM 187 CA TYR A 13 -4.125 -1.787 -3.465 1.00 0.00 C ATOM 188 C TYR A 13 -4.404 -2.940 -4.424 1.00 0.00 C ATOM 189 O TYR A 13 -4.744 -2.717 -5.589 1.00 0.00 O ATOM 190 CB TYR A 13 -5.161 -0.671 -3.671 1.00 0.00 C ATOM 191 CG TYR A 13 -4.913 0.582 -2.852 1.00 0.00 C ATOM 192 CD1 TYR A 13 -3.964 1.523 -3.245 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.635 0.832 -1.692 1.00 0.00 C ATOM 194 CE1 TYR A 13 -3.746 2.669 -2.507 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.420 1.977 -0.948 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.475 2.892 -1.362 1.00 0.00 C ATOM 197 OH TYR A 13 -4.263 4.036 -0.630 1.00 0.00 O ATOM 0 H TYR A 13 -2.714 -0.625 -4.482 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.198 -2.140 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.179 -0.401 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.149 -1.060 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.389 1.353 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.378 0.119 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.006 3.388 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.989 2.154 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.355 3.835 0.325 1.00 0.00 H new ATOM 207 N LEU A 14 -4.247 -4.166 -3.948 1.00 0.00 N ATOM 208 CA LEU A 14 -4.299 -5.330 -4.821 1.00 0.00 C ATOM 209 C LEU A 14 -5.589 -6.124 -4.645 1.00 0.00 C ATOM 210 O LEU A 14 -6.246 -6.045 -3.609 1.00 0.00 O ATOM 211 CB LEU A 14 -3.099 -6.243 -4.553 1.00 0.00 C ATOM 212 CG LEU A 14 -1.727 -5.601 -4.757 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.624 -6.615 -4.493 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.612 -5.027 -6.161 1.00 0.00 C ATOM 0 H LEU A 14 -4.083 -4.381 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.268 -4.964 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.162 -6.606 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.174 -7.114 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.615 -4.782 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.347 -6.143 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.699 -6.975 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.729 -7.454 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.629 -4.574 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.742 -5.825 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.383 -4.270 -6.309 1.00 0.00 H new ATOM 226 N ASP A 15 -5.934 -6.886 -5.677 1.00 0.00 N ATOM 227 CA ASP A 15 -7.063 -7.818 -5.638 1.00 0.00 C ATOM 228 C ASP A 15 -6.528 -9.254 -5.565 1.00 0.00 C ATOM 229 O ASP A 15 -7.218 -10.225 -5.875 1.00 0.00 O ATOM 230 CB ASP A 15 -7.934 -7.604 -6.890 1.00 0.00 C ATOM 231 CG ASP A 15 -9.091 -8.585 -7.020 1.00 0.00 C ATOM 232 OD1 ASP A 15 -10.096 -8.441 -6.293 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.998 -9.506 -7.863 1.00 0.00 O ATOM 0 H ASP A 15 -5.439 -6.877 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.679 -7.639 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.333 -6.590 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.303 -7.684 -7.776 1.00 0.00 H new ATOM 238 N GLU A 16 -5.258 -9.365 -5.158 1.00 0.00 N ATOM 239 CA GLU A 16 -4.541 -10.647 -5.046 1.00 0.00 C ATOM 240 C GLU A 16 -4.117 -11.151 -6.428 1.00 0.00 C ATOM 241 O GLU A 16 -3.027 -11.695 -6.587 1.00 0.00 O ATOM 242 CB GLU A 16 -5.380 -11.700 -4.297 1.00 0.00 C ATOM 243 CG GLU A 16 -4.550 -12.741 -3.552 1.00 0.00 C ATOM 244 CD GLU A 16 -4.429 -14.057 -4.295 1.00 0.00 C ATOM 245 OE1 GLU A 16 -3.845 -14.075 -5.391 1.00 0.00 O ATOM 246 OE2 GLU A 16 -4.928 -15.081 -3.786 1.00 0.00 O ATOM 0 H GLU A 16 -4.690 -8.560 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.640 -10.477 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.030 -11.192 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.026 -12.210 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.552 -12.340 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.000 -12.923 -2.576 1.00 0.00 H new ATOM 253 N ASN A 17 -4.946 -10.891 -7.440 1.00 0.00 N ATOM 254 CA ASN A 17 -4.667 -11.315 -8.818 1.00 0.00 C ATOM 255 C ASN A 17 -3.542 -10.490 -9.441 1.00 0.00 C ATOM 256 O ASN A 17 -3.420 -10.420 -10.660 1.00 0.00 O ATOM 257 CB ASN A 17 -5.918 -11.186 -9.697 1.00 0.00 C ATOM 258 CG ASN A 17 -6.956 -12.257 -9.424 1.00 0.00 C ATOM 259 OD1 ASN A 17 -6.868 -13.365 -9.951 1.00 0.00 O ATOM 260 ND2 ASN A 17 -7.966 -11.926 -8.637 1.00 0.00 N ATOM 0 H ASN A 17 -5.825 -10.384 -7.332 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.359 -12.360 -8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.367 -10.206 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.623 -11.234 -10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.708 -12.600 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.003 -10.997 -8.218 1.00 0.00 H new ATOM 267 N ASN A 18 -2.736 -9.863 -8.586 1.00 0.00 N ATOM 268 CA ASN A 18 -1.611 -9.018 -8.997 1.00 0.00 C ATOM 269 C ASN A 18 -2.084 -7.717 -9.634 1.00 0.00 C ATOM 270 O ASN A 18 -1.277 -6.851 -9.965 1.00 0.00 O ATOM 271 CB ASN A 18 -0.646 -9.746 -9.953 1.00 0.00 C ATOM 272 CG ASN A 18 0.254 -10.760 -9.261 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.265 -11.439 -8.248 1.00 0.00 O flip ATOM 274 ND2 ASN A 18 1.408 -10.947 -9.652 1.00 0.00 N flip ATOM 0 H ASN A 18 -2.846 -9.927 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.066 -8.783 -8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.226 -10.255 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.024 -9.007 -10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.775 -10.406 -10.435 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.996 -11.643 -9.193 1.00 0.00 H new ATOM 281 N THR A 19 -3.388 -7.574 -9.792 1.00 0.00 N ATOM 282 CA THR A 19 -3.950 -6.368 -10.361 1.00 0.00 C ATOM 283 C THR A 19 -4.088 -5.297 -9.283 1.00 0.00 C ATOM 284 O THR A 19 -4.506 -5.579 -8.155 1.00 0.00 O ATOM 285 CB THR A 19 -5.315 -6.642 -11.037 1.00 0.00 C ATOM 286 OG1 THR A 19 -5.837 -5.438 -11.611 1.00 0.00 O ATOM 287 CG2 THR A 19 -6.321 -7.214 -10.049 1.00 0.00 C ATOM 0 H THR A 19 -4.076 -8.281 -9.533 1.00 0.00 H new ATOM 0 HA THR A 19 -3.270 -6.009 -11.133 1.00 0.00 H new ATOM 0 HB THR A 19 -5.150 -7.378 -11.824 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.700 -5.626 -12.037 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.268 -7.394 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.941 -8.153 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.475 -6.505 -9.235 1.00 0.00 H new ATOM 295 N SER A 20 -3.695 -4.082 -9.624 1.00 0.00 N ATOM 296 CA SER A 20 -3.770 -2.971 -8.698 1.00 0.00 C ATOM 297 C SER A 20 -4.996 -2.128 -9.028 1.00 0.00 C ATOM 298 O SER A 20 -5.043 -1.459 -10.063 1.00 0.00 O ATOM 299 CB SER A 20 -2.488 -2.132 -8.783 1.00 0.00 C ATOM 300 OG SER A 20 -2.314 -1.320 -7.632 1.00 0.00 O ATOM 0 H SER A 20 -3.319 -3.841 -10.541 1.00 0.00 H new ATOM 0 HA SER A 20 -3.863 -3.344 -7.678 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.628 -2.792 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.524 -1.501 -9.671 1.00 0.00 H new ATOM 0 HG SER A 20 -2.446 -0.379 -7.872 1.00 0.00 H new ATOM 306 N ILE A 21 -5.996 -2.181 -8.156 1.00 0.00 N ATOM 307 CA ILE A 21 -7.257 -1.485 -8.389 1.00 0.00 C ATOM 308 C ILE A 21 -7.075 0.027 -8.278 1.00 0.00 C ATOM 309 O ILE A 21 -7.884 0.807 -8.787 1.00 0.00 O ATOM 310 CB ILE A 21 -8.350 -1.955 -7.404 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.934 -1.675 -5.956 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.627 -3.440 -7.609 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.995 -2.032 -4.936 1.00 0.00 C ATOM 0 H ILE A 21 -5.958 -2.700 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.578 -1.728 -9.402 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.265 -1.396 -7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.026 -2.236 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.688 -0.618 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.399 -3.766 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.967 -3.609 -8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.714 -4.008 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.628 -1.806 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.897 -1.452 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.225 -3.095 -5.007 1.00 0.00 H new ATOM 325 N ALA A 22 -6.002 0.427 -7.617 1.00 0.00 N ATOM 326 CA ALA A 22 -5.653 1.829 -7.485 1.00 0.00 C ATOM 327 C ALA A 22 -4.168 2.010 -7.763 1.00 0.00 C ATOM 328 O ALA A 22 -3.389 1.077 -7.565 1.00 0.00 O ATOM 329 CB ALA A 22 -6.003 2.338 -6.095 1.00 0.00 C ATOM 0 H ALA A 22 -5.351 -0.210 -7.158 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.225 2.409 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.734 3.391 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.073 2.223 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.453 1.765 -5.349 1.00 0.00 H new ATOM 335 N PRO A 23 -3.757 3.190 -8.250 1.00 0.00 N ATOM 336 CA PRO A 23 -2.346 3.482 -8.523 1.00 0.00 C ATOM 337 C PRO A 23 -1.480 3.371 -7.269 1.00 0.00 C ATOM 338 O PRO A 23 -1.969 3.532 -6.149 1.00 0.00 O ATOM 339 CB PRO A 23 -2.362 4.928 -9.034 1.00 0.00 C ATOM 340 CG PRO A 23 -3.764 5.168 -9.479 1.00 0.00 C ATOM 341 CD PRO A 23 -4.629 4.331 -8.581 1.00 0.00 C ATOM 0 HA PRO A 23 -1.918 2.774 -9.233 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.073 5.627 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.659 5.063 -9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.024 6.224 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.896 4.885 -10.523 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.933 4.878 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.541 4.009 -9.084 1.00 0.00 H new ATOM 349 N SER A 24 -0.198 3.089 -7.469 1.00 0.00 N ATOM 350 CA SER A 24 0.743 2.973 -6.366 1.00 0.00 C ATOM 351 C SER A 24 0.860 4.299 -5.628 1.00 0.00 C ATOM 352 O SER A 24 1.299 5.301 -6.197 1.00 0.00 O ATOM 353 CB SER A 24 2.108 2.532 -6.894 1.00 0.00 C ATOM 354 OG SER A 24 2.527 3.362 -7.963 1.00 0.00 O ATOM 0 H SER A 24 0.213 2.936 -8.390 1.00 0.00 H new ATOM 0 HA SER A 24 0.377 2.223 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.843 2.569 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.055 1.497 -7.231 1.00 0.00 H new ATOM 0 HG SER A 24 2.221 4.279 -7.804 1.00 0.00 H new ATOM 360 N LEU A 25 0.461 4.301 -4.369 1.00 0.00 N ATOM 361 CA LEU A 25 0.482 5.509 -3.569 1.00 0.00 C ATOM 362 C LEU A 25 1.826 5.643 -2.866 1.00 0.00 C ATOM 363 O LEU A 25 2.190 4.807 -2.035 1.00 0.00 O ATOM 364 CB LEU A 25 -0.658 5.480 -2.544 1.00 0.00 C ATOM 365 CG LEU A 25 -0.764 6.709 -1.640 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.084 7.951 -2.458 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.821 6.479 -0.571 1.00 0.00 C ATOM 0 H LEU A 25 0.117 3.475 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 25 0.341 6.371 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.601 5.362 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.535 4.598 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 25 0.197 6.868 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.155 8.814 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.293 8.119 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.033 7.811 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.890 7.359 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.786 6.299 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.546 5.613 0.032 1.00 0.00 H new ATOM 379 N TYR A 26 2.571 6.677 -3.225 1.00 0.00 N ATOM 380 CA TYR A 26 3.861 6.935 -2.613 1.00 0.00 C ATOM 381 C TYR A 26 3.670 7.747 -1.342 1.00 0.00 C ATOM 382 O TYR A 26 3.408 8.949 -1.396 1.00 0.00 O ATOM 383 CB TYR A 26 4.783 7.685 -3.581 1.00 0.00 C ATOM 384 CG TYR A 26 5.076 6.938 -4.863 1.00 0.00 C ATOM 385 CD1 TYR A 26 6.135 6.041 -4.942 1.00 0.00 C ATOM 386 CD2 TYR A 26 4.300 7.133 -6.001 1.00 0.00 C ATOM 387 CE1 TYR A 26 6.411 5.362 -6.113 1.00 0.00 C ATOM 388 CE2 TYR A 26 4.570 6.460 -7.176 1.00 0.00 C ATOM 389 CZ TYR A 26 5.627 5.574 -7.227 1.00 0.00 C ATOM 390 OH TYR A 26 5.903 4.904 -8.399 1.00 0.00 O ATOM 0 H TYR A 26 2.301 7.352 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 26 4.327 5.981 -2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.328 8.644 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.725 7.900 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.753 5.872 -4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.471 7.824 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.237 4.668 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.958 6.626 -8.050 1.00 0.00 H new ATOM 0 HH TYR A 26 5.255 5.166 -9.086 1.00 0.00 H new ATOM 400 N LEU A 27 3.764 7.082 -0.206 1.00 0.00 N ATOM 401 CA LEU A 27 3.611 7.746 1.075 1.00 0.00 C ATOM 402 C LEU A 27 4.948 8.351 1.488 1.00 0.00 C ATOM 403 O LEU A 27 5.901 7.630 1.782 1.00 0.00 O ATOM 404 CB LEU A 27 3.114 6.751 2.130 1.00 0.00 C ATOM 405 CG LEU A 27 2.149 7.317 3.183 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.661 6.213 4.108 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.805 8.425 3.994 1.00 0.00 C ATOM 0 H LEU A 27 3.946 6.080 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 27 2.872 8.543 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.619 5.925 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.980 6.334 2.645 1.00 0.00 H new ATOM 0 HG LEU A 27 1.295 7.741 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.979 6.633 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.141 5.453 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.513 5.761 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.097 8.805 4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.683 8.031 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.105 9.234 3.328 1.00 0.00 H new ATOM 419 N SER A 28 5.016 9.671 1.473 1.00 0.00 N ATOM 420 CA SER A 28 6.232 10.383 1.819 1.00 0.00 C ATOM 421 C SER A 28 6.213 10.813 3.284 1.00 0.00 C ATOM 422 O SER A 28 5.169 11.198 3.815 1.00 0.00 O ATOM 423 CB SER A 28 6.388 11.596 0.900 1.00 0.00 C ATOM 424 OG SER A 28 5.133 12.226 0.677 1.00 0.00 O ATOM 0 H SER A 28 4.234 10.276 1.222 1.00 0.00 H new ATOM 0 HA SER A 28 7.085 9.718 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.083 12.308 1.345 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.817 11.284 -0.052 1.00 0.00 H new ATOM 0 HG SER A 28 5.255 13.000 0.088 1.00 0.00 H new ATOM 430 N GLY A 29 7.364 10.733 3.932 1.00 0.00 N ATOM 431 CA GLY A 29 7.469 11.126 5.320 1.00 0.00 C ATOM 432 C GLY A 29 8.906 11.324 5.735 1.00 0.00 C ATOM 433 O GLY A 29 9.775 11.538 4.887 1.00 0.00 O ATOM 0 H GLY A 29 8.234 10.400 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.913 12.050 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.010 10.364 5.950 1.00 0.00 H new ATOM 437 N LEU A 30 9.165 11.257 7.030 1.00 0.00 N ATOM 438 CA LEU A 30 10.520 11.399 7.542 1.00 0.00 C ATOM 439 C LEU A 30 11.094 10.035 7.906 1.00 0.00 C ATOM 440 O LEU A 30 10.352 9.100 8.187 1.00 0.00 O ATOM 441 CB LEU A 30 10.535 12.331 8.757 1.00 0.00 C ATOM 442 CG LEU A 30 10.015 13.746 8.487 1.00 0.00 C ATOM 443 CD1 LEU A 30 10.103 14.596 9.742 1.00 0.00 C ATOM 444 CD2 LEU A 30 10.788 14.395 7.349 1.00 0.00 C ATOM 0 H LEU A 30 8.456 11.105 7.747 1.00 0.00 H new ATOM 0 HA LEU A 30 11.143 11.838 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.934 11.883 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.556 12.400 9.132 1.00 0.00 H new ATOM 0 HG LEU A 30 8.968 13.674 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.729 15.598 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.502 14.144 10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.141 14.658 10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.403 15.399 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.844 14.452 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.672 13.799 6.444 1.00 0.00 H new ATOM 456 N PHE A 31 12.412 9.920 7.886 1.00 0.00 N ATOM 457 CA PHE A 31 13.074 8.652 8.164 1.00 0.00 C ATOM 458 C PHE A 31 12.749 8.179 9.578 1.00 0.00 C ATOM 459 O PHE A 31 12.819 8.960 10.529 1.00 0.00 O ATOM 460 CB PHE A 31 14.587 8.803 7.983 1.00 0.00 C ATOM 461 CG PHE A 31 15.348 7.509 8.073 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.378 6.636 6.997 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.035 7.167 9.227 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.077 5.447 7.071 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.736 5.979 9.306 1.00 0.00 C ATOM 466 CZ PHE A 31 16.757 5.119 8.227 1.00 0.00 C ATOM 0 H PHE A 31 13.048 10.691 7.680 1.00 0.00 H new ATOM 0 HA PHE A 31 12.709 7.903 7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.782 9.260 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.966 9.489 8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.849 6.888 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.022 7.837 10.074 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.092 4.775 6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.267 5.724 10.211 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.305 4.190 8.287 1.00 0.00 H new ATOM 476 N ASN A 32 12.368 6.906 9.700 1.00 0.00 N ATOM 477 CA ASN A 32 12.018 6.302 10.992 1.00 0.00 C ATOM 478 C ASN A 32 10.768 6.928 11.602 1.00 0.00 C ATOM 479 O ASN A 32 10.506 6.765 12.791 1.00 0.00 O ATOM 480 CB ASN A 32 13.171 6.410 11.995 1.00 0.00 C ATOM 481 CG ASN A 32 13.995 5.141 12.089 1.00 0.00 C ATOM 482 OD1 ASN A 32 14.178 4.425 11.106 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.490 4.850 13.283 1.00 0.00 N ATOM 0 H ASN A 32 12.293 6.265 8.910 1.00 0.00 H new ATOM 0 HA ASN A 32 11.816 5.251 10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.820 7.237 11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.768 6.649 12.979 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.046 4.005 13.412 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.315 5.471 14.073 1.00 0.00 H new ATOM 490 N GLU A 33 9.990 7.633 10.796 1.00 0.00 N ATOM 491 CA GLU A 33 8.775 8.262 11.290 1.00 0.00 C ATOM 492 C GLU A 33 7.621 7.266 11.307 1.00 0.00 C ATOM 493 O GLU A 33 7.417 6.521 10.347 1.00 0.00 O ATOM 494 CB GLU A 33 8.428 9.485 10.441 1.00 0.00 C ATOM 495 CG GLU A 33 7.095 10.123 10.783 1.00 0.00 C ATOM 496 CD GLU A 33 6.897 11.449 10.087 1.00 0.00 C ATOM 497 OE1 GLU A 33 6.798 11.471 8.842 1.00 0.00 O ATOM 498 OE2 GLU A 33 6.836 12.481 10.788 1.00 0.00 O ATOM 0 H GLU A 33 10.176 7.784 9.804 1.00 0.00 H new ATOM 0 HA GLU A 33 8.947 8.593 12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.215 10.230 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.419 9.193 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.288 9.445 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.031 10.268 11.861 1.00 0.00 H new ATOM 505 N ALA A 34 6.883 7.251 12.411 1.00 0.00 N ATOM 506 CA ALA A 34 5.742 6.364 12.561 1.00 0.00 C ATOM 507 C ALA A 34 4.541 6.920 11.811 1.00 0.00 C ATOM 508 O ALA A 34 4.135 8.063 12.029 1.00 0.00 O ATOM 509 CB ALA A 34 5.412 6.167 14.033 1.00 0.00 C ATOM 0 H ALA A 34 7.059 7.848 13.219 1.00 0.00 H new ATOM 0 HA ALA A 34 5.996 5.393 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.555 5.500 14.128 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.270 5.730 14.543 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.174 7.130 14.485 1.00 0.00 H new ATOM 515 N TYR A 35 3.978 6.115 10.928 1.00 0.00 N ATOM 516 CA TYR A 35 2.867 6.551 10.101 1.00 0.00 C ATOM 517 C TYR A 35 1.740 5.530 10.130 1.00 0.00 C ATOM 518 O TYR A 35 1.951 4.368 10.477 1.00 0.00 O ATOM 519 CB TYR A 35 3.329 6.753 8.653 1.00 0.00 C ATOM 520 CG TYR A 35 3.768 5.475 7.966 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.073 5.014 8.078 1.00 0.00 C ATOM 522 CD2 TYR A 35 2.875 4.731 7.202 1.00 0.00 C ATOM 523 CE1 TYR A 35 5.476 3.851 7.453 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.270 3.566 6.574 1.00 0.00 C ATOM 525 CZ TYR A 35 4.570 3.130 6.704 1.00 0.00 C ATOM 526 OH TYR A 35 4.968 1.972 6.079 1.00 0.00 O ATOM 0 H TYR A 35 4.273 5.152 10.765 1.00 0.00 H new ATOM 0 HA TYR A 35 2.501 7.496 10.501 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.516 7.201 8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.156 7.463 8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.785 5.575 8.664 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.855 5.070 7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.495 3.508 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.564 3.000 5.985 1.00 0.00 H new ATOM 0 HH TYR A 35 5.431 1.396 6.722 1.00 0.00 H new ATOM 536 N ASN A 36 0.550 5.975 9.767 1.00 0.00 N ATOM 537 CA ASN A 36 -0.572 5.076 9.565 1.00 0.00 C ATOM 538 C ASN A 36 -0.809 4.909 8.075 1.00 0.00 C ATOM 539 O ASN A 36 -0.758 5.882 7.325 1.00 0.00 O ATOM 540 CB ASN A 36 -1.836 5.611 10.243 1.00 0.00 C ATOM 541 CG ASN A 36 -1.753 5.558 11.754 1.00 0.00 C ATOM 542 OD1 ASN A 36 -2.134 4.563 12.373 1.00 0.00 O ATOM 543 ND2 ASN A 36 -1.261 6.627 12.359 1.00 0.00 N ATOM 0 H ASN A 36 0.335 6.959 9.605 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.337 4.111 10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.005 6.641 9.928 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.696 5.031 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.186 6.648 13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.957 7.430 11.808 1.00 0.00 H new ATOM 550 N VAL A 37 -1.046 3.685 7.644 1.00 0.00 N ATOM 551 CA VAL A 37 -1.253 3.411 6.229 1.00 0.00 C ATOM 552 C VAL A 37 -2.717 3.645 5.848 1.00 0.00 C ATOM 553 O VAL A 37 -3.628 3.185 6.537 1.00 0.00 O ATOM 554 CB VAL A 37 -0.823 1.966 5.870 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.632 0.943 6.650 1.00 0.00 C ATOM 556 CG2 VAL A 37 -0.941 1.709 4.374 1.00 0.00 C ATOM 0 H VAL A 37 -1.101 2.865 8.248 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.629 4.098 5.658 1.00 0.00 H new ATOM 0 HB VAL A 37 0.225 1.859 6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.308 -0.061 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.479 1.096 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.690 1.060 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.632 0.687 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.975 1.850 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.300 2.405 3.834 1.00 0.00 H new ATOM 566 N PRO A 38 -2.966 4.406 4.770 1.00 0.00 N ATOM 567 CA PRO A 38 -4.323 4.672 4.299 1.00 0.00 C ATOM 568 C PRO A 38 -4.965 3.436 3.685 1.00 0.00 C ATOM 569 O PRO A 38 -4.687 3.080 2.539 1.00 0.00 O ATOM 570 CB PRO A 38 -4.149 5.762 3.230 1.00 0.00 C ATOM 571 CG PRO A 38 -2.731 6.218 3.338 1.00 0.00 C ATOM 572 CD PRO A 38 -1.963 5.069 3.929 1.00 0.00 C ATOM 0 HA PRO A 38 -4.977 4.972 5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.359 5.370 2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.839 6.589 3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.334 6.489 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.654 7.103 3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.576 4.402 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.108 5.411 4.512 1.00 0.00 H new ATOM 580 N MET A 39 -5.809 2.776 4.458 1.00 0.00 N ATOM 581 CA MET A 39 -6.538 1.624 3.961 1.00 0.00 C ATOM 582 C MET A 39 -7.813 2.089 3.279 1.00 0.00 C ATOM 583 O MET A 39 -8.900 2.045 3.858 1.00 0.00 O ATOM 584 CB MET A 39 -6.861 0.638 5.092 1.00 0.00 C ATOM 585 CG MET A 39 -5.628 0.014 5.726 1.00 0.00 C ATOM 586 SD MET A 39 -6.038 -1.176 7.018 1.00 0.00 S ATOM 587 CE MET A 39 -4.402 -1.718 7.507 1.00 0.00 C ATOM 0 H MET A 39 -6.006 3.017 5.429 1.00 0.00 H new ATOM 0 HA MET A 39 -5.911 1.100 3.239 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.433 1.156 5.862 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.499 -0.155 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.039 -0.482 4.954 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.003 0.801 6.148 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.487 -2.459 8.302 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.894 -2.161 6.650 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.828 -0.864 7.867 1.00 0.00 H new ATOM 597 N LYS A 40 -7.660 2.589 2.063 1.00 0.00 N ATOM 598 CA LYS A 40 -8.785 3.100 1.305 1.00 0.00 C ATOM 599 C LYS A 40 -9.620 1.947 0.773 1.00 0.00 C ATOM 600 O LYS A 40 -9.144 1.137 -0.025 1.00 0.00 O ATOM 601 CB LYS A 40 -8.300 3.984 0.154 1.00 0.00 C ATOM 602 CG LYS A 40 -9.424 4.729 -0.541 1.00 0.00 C ATOM 603 CD LYS A 40 -8.914 5.576 -1.694 1.00 0.00 C ATOM 604 CE LYS A 40 -10.058 6.184 -2.492 1.00 0.00 C ATOM 605 NZ LYS A 40 -10.923 7.066 -1.664 1.00 0.00 N ATOM 0 H LYS A 40 -6.763 2.651 1.581 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.404 3.708 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.577 4.705 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.777 3.365 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.158 4.014 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.937 5.367 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.276 6.371 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.297 4.963 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.651 6.757 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.663 5.385 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.614 7.547 -2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.426 6.494 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.335 7.775 -1.181 1.00 0.00 H new ATOM 619 N LYS A 41 -10.862 1.876 1.223 1.00 0.00 N ATOM 620 CA LYS A 41 -11.744 0.787 0.847 1.00 0.00 C ATOM 621 C LYS A 41 -12.520 1.149 -0.414 1.00 0.00 C ATOM 622 O LYS A 41 -13.583 1.768 -0.354 1.00 0.00 O ATOM 623 CB LYS A 41 -12.698 0.446 1.999 1.00 0.00 C ATOM 624 CG LYS A 41 -13.592 -0.751 1.716 1.00 0.00 C ATOM 625 CD LYS A 41 -14.433 -1.157 2.922 1.00 0.00 C ATOM 626 CE LYS A 41 -15.434 -0.081 3.326 1.00 0.00 C ATOM 627 NZ LYS A 41 -14.851 0.923 4.254 1.00 0.00 N ATOM 0 H LYS A 41 -11.282 2.562 1.851 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.141 -0.096 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.113 0.248 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.323 1.314 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.252 -0.517 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.975 -1.595 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.968 -2.079 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.775 -1.371 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.799 0.425 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.296 -0.551 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.471 1.031 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.911 0.604 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.763 1.837 3.766 1.00 0.00 H new ATOM 641 N ILE A 42 -11.961 0.779 -1.555 1.00 0.00 N ATOM 642 CA ILE A 42 -12.569 1.078 -2.842 1.00 0.00 C ATOM 643 C ILE A 42 -13.636 0.044 -3.182 1.00 0.00 C ATOM 644 O ILE A 42 -13.390 -1.156 -3.090 1.00 0.00 O ATOM 645 CB ILE A 42 -11.509 1.114 -3.965 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.396 2.102 -3.607 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.149 1.489 -5.296 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.271 2.141 -4.616 1.00 0.00 C ATOM 0 H ILE A 42 -11.081 0.267 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.031 2.062 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.075 0.119 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.824 3.100 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.988 1.838 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.386 1.509 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.911 0.753 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.609 2.474 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.520 2.863 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.816 1.153 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.665 2.435 -5.589 1.00 0.00 H new ATOM 660 N LYS A 43 -14.825 0.527 -3.544 1.00 0.00 N ATOM 661 CA LYS A 43 -15.964 -0.325 -3.917 1.00 0.00 C ATOM 662 C LYS A 43 -16.358 -1.271 -2.793 1.00 0.00 C ATOM 663 O LYS A 43 -17.045 -2.272 -3.015 1.00 0.00 O ATOM 664 CB LYS A 43 -15.662 -1.131 -5.181 1.00 0.00 C ATOM 665 CG LYS A 43 -15.323 -0.279 -6.389 1.00 0.00 C ATOM 666 CD LYS A 43 -15.065 -1.138 -7.614 1.00 0.00 C ATOM 667 CE LYS A 43 -14.585 -0.304 -8.788 1.00 0.00 C ATOM 668 NZ LYS A 43 -13.327 0.424 -8.472 1.00 0.00 N ATOM 0 H LYS A 43 -15.030 1.525 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.802 0.344 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.830 -1.805 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.525 -1.753 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.142 0.411 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.442 0.326 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.320 -1.897 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.979 -1.664 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.424 -0.950 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.359 0.412 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.870 0.727 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.545 1.258 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.685 -0.204 -7.948 1.00 0.00 H new ATOM 682 N GLY A 44 -15.950 -0.931 -1.592 1.00 0.00 N ATOM 683 CA GLY A 44 -16.253 -1.750 -0.438 1.00 0.00 C ATOM 684 C GLY A 44 -15.428 -3.024 -0.375 1.00 0.00 C ATOM 685 O GLY A 44 -15.722 -3.904 0.429 1.00 0.00 O ATOM 0 H GLY A 44 -15.407 -0.092 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.081 -1.168 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.311 -2.011 -0.453 1.00 0.00 H new ATOM 689 N TYR A 45 -14.405 -3.127 -1.222 1.00 0.00 N ATOM 690 CA TYR A 45 -13.504 -4.279 -1.206 1.00 0.00 C ATOM 691 C TYR A 45 -13.005 -4.553 0.210 1.00 0.00 C ATOM 692 O TYR A 45 -12.436 -3.675 0.861 1.00 0.00 O ATOM 693 CB TYR A 45 -12.308 -4.050 -2.137 1.00 0.00 C ATOM 694 CG TYR A 45 -12.551 -4.422 -3.588 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.582 -3.842 -4.316 1.00 0.00 C ATOM 696 CD2 TYR A 45 -11.732 -5.341 -4.234 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.792 -4.168 -5.642 1.00 0.00 C ATOM 698 CE2 TYR A 45 -11.936 -5.672 -5.562 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.968 -5.081 -6.260 1.00 0.00 C ATOM 700 OH TYR A 45 -13.176 -5.405 -7.584 1.00 0.00 O ATOM 0 H TYR A 45 -14.179 -2.427 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.065 -5.144 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.024 -2.999 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.461 -4.627 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.231 -3.124 -3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.922 -5.805 -3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.600 -3.708 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.291 -6.389 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.508 -6.063 -7.869 1.00 0.00 H new ATOM 710 N THR A 46 -13.228 -5.766 0.676 1.00 0.00 N ATOM 711 CA THR A 46 -12.882 -6.140 2.033 1.00 0.00 C ATOM 712 C THR A 46 -11.448 -6.647 2.092 1.00 0.00 C ATOM 713 O THR A 46 -11.065 -7.513 1.311 1.00 0.00 O ATOM 714 CB THR A 46 -13.835 -7.229 2.546 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.193 -6.823 2.328 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.613 -7.495 4.026 1.00 0.00 C ATOM 0 H THR A 46 -13.651 -6.516 0.129 1.00 0.00 H new ATOM 0 HA THR A 46 -12.975 -5.258 2.667 1.00 0.00 H new ATOM 0 HB THR A 46 -13.632 -8.149 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.799 -7.520 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.301 -8.270 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.587 -7.825 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.792 -6.580 4.591 1.00 0.00 H new ATOM 724 N LEU A 47 -10.657 -6.089 3.001 1.00 0.00 N ATOM 725 CA LEU A 47 -9.266 -6.499 3.160 1.00 0.00 C ATOM 726 C LEU A 47 -9.177 -7.976 3.492 1.00 0.00 C ATOM 727 O LEU A 47 -9.673 -8.424 4.526 1.00 0.00 O ATOM 728 CB LEU A 47 -8.583 -5.687 4.263 1.00 0.00 C ATOM 729 CG LEU A 47 -7.125 -6.062 4.556 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.246 -5.798 3.345 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.609 -5.295 5.762 1.00 0.00 C ATOM 0 H LEU A 47 -10.955 -5.351 3.639 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.756 -6.314 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.620 -4.633 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.160 -5.798 5.181 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.087 -7.128 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.216 -6.071 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.599 -6.393 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.291 -4.740 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.573 -5.574 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.666 -4.225 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.218 -5.535 6.634 1.00 0.00 H new ATOM 743 N LEU A 48 -8.553 -8.727 2.601 1.00 0.00 N ATOM 744 CA LEU A 48 -8.324 -10.139 2.828 1.00 0.00 C ATOM 745 C LEU A 48 -7.169 -10.304 3.803 1.00 0.00 C ATOM 746 O LEU A 48 -7.286 -11.002 4.814 1.00 0.00 O ATOM 747 CB LEU A 48 -8.005 -10.843 1.503 1.00 0.00 C ATOM 748 CG LEU A 48 -7.812 -12.359 1.593 1.00 0.00 C ATOM 749 CD1 LEU A 48 -9.108 -13.043 2.000 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.312 -12.908 0.263 1.00 0.00 C ATOM 0 H LEU A 48 -8.196 -8.379 1.711 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.222 -10.591 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.812 -10.638 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.099 -10.403 1.087 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.064 -12.566 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.949 -14.120 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.426 -12.670 2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.880 -12.830 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.179 -13.987 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.040 -12.688 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.359 -12.442 0.012 1.00 0.00 H new ATOM 762 N LYS A 49 -6.076 -9.608 3.497 1.00 0.00 N ATOM 763 CA LYS A 49 -4.855 -9.641 4.297 1.00 0.00 C ATOM 764 C LYS A 49 -3.708 -9.017 3.520 1.00 0.00 C ATOM 765 O LYS A 49 -3.614 -9.175 2.303 1.00 0.00 O ATOM 766 CB LYS A 49 -4.450 -11.072 4.681 1.00 0.00 C ATOM 767 CG LYS A 49 -3.238 -11.122 5.596 1.00 0.00 C ATOM 768 CD LYS A 49 -2.761 -12.542 5.844 1.00 0.00 C ATOM 769 CE LYS A 49 -1.620 -12.564 6.849 1.00 0.00 C ATOM 770 NZ LYS A 49 -2.050 -12.055 8.179 1.00 0.00 N ATOM 0 H LYS A 49 -6.013 -9.001 2.680 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.060 -9.080 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.290 -11.561 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.237 -11.639 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.428 -10.541 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.485 -10.653 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.588 -13.148 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.433 -12.989 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.246 -13.582 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.795 -11.957 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.378 -12.373 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.075 -11.015 8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.998 -12.421 8.401 1.00 0.00 H new ATOM 784 N TYR A 50 -2.847 -8.306 4.220 1.00 0.00 N ATOM 785 CA TYR A 50 -1.596 -7.855 3.642 1.00 0.00 C ATOM 786 C TYR A 50 -0.505 -8.875 3.971 1.00 0.00 C ATOM 787 O TYR A 50 -0.175 -9.093 5.136 1.00 0.00 O ATOM 788 CB TYR A 50 -1.230 -6.447 4.144 1.00 0.00 C ATOM 789 CG TYR A 50 -1.317 -6.266 5.647 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.523 -5.949 6.261 1.00 0.00 C ATOM 791 CD2 TYR A 50 -0.193 -6.406 6.445 1.00 0.00 C ATOM 792 CE1 TYR A 50 -2.602 -5.777 7.630 1.00 0.00 C ATOM 793 CE2 TYR A 50 -0.265 -6.237 7.813 1.00 0.00 C ATOM 794 CZ TYR A 50 -1.469 -5.924 8.402 1.00 0.00 C ATOM 795 OH TYR A 50 -1.536 -5.749 9.765 1.00 0.00 O ATOM 0 H TYR A 50 -2.990 -8.028 5.191 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.698 -7.782 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.215 -6.214 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.890 -5.723 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.412 -5.835 5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.755 -6.651 5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.546 -5.529 8.093 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.621 -6.350 8.420 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.649 -5.890 10.157 1.00 0.00 H new ATOM 805 N ASP A 51 0.007 -9.538 2.939 1.00 0.00 N ATOM 806 CA ASP A 51 0.999 -10.598 3.123 1.00 0.00 C ATOM 807 C ASP A 51 2.290 -10.026 3.699 1.00 0.00 C ATOM 808 O ASP A 51 2.870 -10.575 4.639 1.00 0.00 O ATOM 809 CB ASP A 51 1.269 -11.310 1.795 1.00 0.00 C ATOM 810 CG ASP A 51 2.191 -12.503 1.944 1.00 0.00 C ATOM 811 OD1 ASP A 51 1.823 -13.461 2.656 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.272 -12.507 1.314 1.00 0.00 O ATOM 0 H ASP A 51 -0.247 -9.362 1.967 1.00 0.00 H new ATOM 0 HA ASP A 51 0.603 -11.327 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.323 -11.640 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.709 -10.603 1.092 1.00 0.00 H new ATOM 817 N SER A 52 2.728 -8.912 3.137 1.00 0.00 N ATOM 818 CA SER A 52 3.850 -8.178 3.686 1.00 0.00 C ATOM 819 C SER A 52 3.342 -7.234 4.771 1.00 0.00 C ATOM 820 O SER A 52 2.662 -6.248 4.473 1.00 0.00 O ATOM 821 CB SER A 52 4.570 -7.398 2.579 1.00 0.00 C ATOM 822 OG SER A 52 5.707 -6.715 3.082 1.00 0.00 O ATOM 0 H SER A 52 2.321 -8.497 2.299 1.00 0.00 H new ATOM 0 HA SER A 52 4.566 -8.874 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.876 -8.084 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.882 -6.681 2.131 1.00 0.00 H new ATOM 0 HG SER A 52 6.145 -6.229 2.353 1.00 0.00 H new ATOM 828 N GLU A 53 3.646 -7.554 6.026 1.00 0.00 N ATOM 829 CA GLU A 53 3.165 -6.765 7.152 1.00 0.00 C ATOM 830 C GLU A 53 3.797 -5.380 7.157 1.00 0.00 C ATOM 831 O GLU A 53 4.919 -5.187 6.679 1.00 0.00 O ATOM 832 CB GLU A 53 3.414 -7.489 8.475 1.00 0.00 C ATOM 833 CG GLU A 53 2.622 -8.783 8.594 1.00 0.00 C ATOM 834 CD GLU A 53 2.668 -9.380 9.984 1.00 0.00 C ATOM 835 OE1 GLU A 53 3.647 -10.086 10.301 1.00 0.00 O ATOM 836 OE2 GLU A 53 1.711 -9.166 10.760 1.00 0.00 O ATOM 0 H GLU A 53 4.223 -8.354 6.287 1.00 0.00 H new ATOM 0 HA GLU A 53 2.088 -6.640 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.477 -7.709 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.150 -6.829 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.584 -8.593 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.013 -9.508 7.880 1.00 0.00 H new ATOM 843 N ILE A 54 3.071 -4.431 7.718 1.00 0.00 N ATOM 844 CA ILE A 54 3.405 -3.025 7.594 1.00 0.00 C ATOM 845 C ILE A 54 4.246 -2.546 8.770 1.00 0.00 C ATOM 846 O ILE A 54 3.853 -2.681 9.929 1.00 0.00 O ATOM 847 CB ILE A 54 2.120 -2.180 7.507 1.00 0.00 C ATOM 848 CG1 ILE A 54 1.197 -2.753 6.427 1.00 0.00 C ATOM 849 CG2 ILE A 54 2.451 -0.723 7.210 1.00 0.00 C ATOM 850 CD1 ILE A 54 -0.190 -2.156 6.432 1.00 0.00 C ATOM 0 H ILE A 54 2.234 -4.613 8.272 1.00 0.00 H new ATOM 0 HA ILE A 54 3.989 -2.904 6.681 1.00 0.00 H new ATOM 0 HB ILE A 54 1.608 -2.219 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.650 -2.588 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.119 -3.832 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.529 -0.145 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.081 -0.324 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.980 -0.657 6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.785 -2.611 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.664 -2.344 7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.124 -1.081 6.264 1.00 0.00 H new ATOM 862 N LEU A 55 5.410 -1.997 8.466 1.00 0.00 N ATOM 863 CA LEU A 55 6.266 -1.412 9.482 1.00 0.00 C ATOM 864 C LEU A 55 6.098 0.100 9.479 1.00 0.00 C ATOM 865 O LEU A 55 6.285 0.750 8.449 1.00 0.00 O ATOM 866 CB LEU A 55 7.729 -1.788 9.233 1.00 0.00 C ATOM 867 CG LEU A 55 8.028 -3.290 9.256 1.00 0.00 C ATOM 868 CD1 LEU A 55 9.490 -3.545 8.930 1.00 0.00 C ATOM 869 CD2 LEU A 55 7.674 -3.886 10.610 1.00 0.00 C ATOM 0 H LEU A 55 5.784 -1.945 7.519 1.00 0.00 H new ATOM 0 HA LEU A 55 5.977 -1.802 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.031 -1.388 8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.347 -1.299 9.986 1.00 0.00 H new ATOM 0 HG LEU A 55 7.414 -3.774 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.686 -4.617 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.715 -3.154 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.119 -3.047 9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.894 -4.954 10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.261 -3.397 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.613 -3.735 10.808 1.00 0.00 H new ATOM 881 N GLY A 56 5.737 0.656 10.627 1.00 0.00 N ATOM 882 CA GLY A 56 5.484 2.082 10.715 1.00 0.00 C ATOM 883 C GLY A 56 6.753 2.901 10.835 1.00 0.00 C ATOM 884 O GLY A 56 6.903 3.682 11.772 1.00 0.00 O ATOM 0 H GLY A 56 5.614 0.145 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.933 2.403 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.847 2.280 11.577 1.00 0.00 H new ATOM 888 N VAL A 57 7.665 2.712 9.892 1.00 0.00 N ATOM 889 CA VAL A 57 8.914 3.461 9.848 1.00 0.00 C ATOM 890 C VAL A 57 9.363 3.672 8.404 1.00 0.00 C ATOM 891 O VAL A 57 9.552 2.709 7.661 1.00 0.00 O ATOM 892 CB VAL A 57 10.055 2.761 10.634 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.890 2.955 12.135 1.00 0.00 C ATOM 894 CG2 VAL A 57 10.125 1.276 10.294 1.00 0.00 C ATOM 0 H VAL A 57 7.561 2.035 9.136 1.00 0.00 H new ATOM 0 HA VAL A 57 8.714 4.421 10.323 1.00 0.00 H new ATOM 0 HB VAL A 57 10.993 3.226 10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.704 2.453 12.658 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.910 4.019 12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.938 2.531 12.454 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.933 0.811 10.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.180 0.799 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.312 1.155 9.227 1.00 0.00 H new ATOM 904 N PHE A 58 9.510 4.930 8.006 1.00 0.00 N ATOM 905 CA PHE A 58 9.999 5.255 6.670 1.00 0.00 C ATOM 906 C PHE A 58 11.483 4.916 6.549 1.00 0.00 C ATOM 907 O PHE A 58 12.264 5.203 7.460 1.00 0.00 O ATOM 908 CB PHE A 58 9.791 6.738 6.358 1.00 0.00 C ATOM 909 CG PHE A 58 8.354 7.162 6.262 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.665 7.047 5.067 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.697 7.688 7.362 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.345 7.447 4.972 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.380 8.088 7.273 1.00 0.00 C ATOM 914 CZ PHE A 58 5.703 7.967 6.077 1.00 0.00 C ATOM 0 H PHE A 58 9.298 5.741 8.587 1.00 0.00 H new ATOM 0 HA PHE A 58 9.432 4.661 5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.280 7.330 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.288 6.971 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.164 6.641 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.222 7.786 8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.817 7.353 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.879 8.496 8.139 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.672 8.279 6.006 1.00 0.00 H new ATOM 924 N THR A 59 11.868 4.317 5.429 1.00 0.00 N ATOM 925 CA THR A 59 13.251 3.919 5.211 1.00 0.00 C ATOM 926 C THR A 59 13.718 4.319 3.812 1.00 0.00 C ATOM 927 O THR A 59 12.929 4.806 3.002 1.00 0.00 O ATOM 928 CB THR A 59 13.442 2.399 5.402 1.00 0.00 C ATOM 929 OG1 THR A 59 12.518 1.676 4.580 1.00 0.00 O ATOM 930 CG2 THR A 59 13.248 2.001 6.857 1.00 0.00 C ATOM 0 H THR A 59 11.240 4.096 4.657 1.00 0.00 H new ATOM 0 HA THR A 59 13.854 4.440 5.955 1.00 0.00 H new ATOM 0 HB THR A 59 14.462 2.151 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.650 0.713 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.388 0.925 6.962 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.976 2.524 7.477 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.241 2.268 7.176 1.00 0.00 H new ATOM 938 N GLU A 60 14.999 4.098 3.532 1.00 0.00 N ATOM 939 CA GLU A 60 15.584 4.467 2.244 1.00 0.00 C ATOM 940 C GLU A 60 15.069 3.558 1.135 1.00 0.00 C ATOM 941 O GLU A 60 15.101 3.912 -0.044 1.00 0.00 O ATOM 942 CB GLU A 60 17.106 4.356 2.302 1.00 0.00 C ATOM 943 CG GLU A 60 17.746 5.119 3.447 1.00 0.00 C ATOM 944 CD GLU A 60 19.242 4.919 3.487 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.686 3.803 3.824 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.984 5.872 3.168 1.00 0.00 O ATOM 0 H GLU A 60 15.655 3.664 4.181 1.00 0.00 H new ATOM 0 HA GLU A 60 15.295 5.496 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.379 3.304 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.521 4.720 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.524 6.181 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.310 4.791 4.391 1.00 0.00 H new ATOM 953 N SER A 61 14.630 2.372 1.517 1.00 0.00 N ATOM 954 CA SER A 61 14.137 1.400 0.565 1.00 0.00 C ATOM 955 C SER A 61 12.622 1.487 0.462 1.00 0.00 C ATOM 956 O SER A 61 11.925 1.422 1.475 1.00 0.00 O ATOM 957 CB SER A 61 14.569 -0.001 0.995 1.00 0.00 C ATOM 958 OG SER A 61 15.969 -0.034 1.231 1.00 0.00 O ATOM 0 H SER A 61 14.606 2.060 2.488 1.00 0.00 H new ATOM 0 HA SER A 61 14.557 1.612 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.034 -0.293 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.306 -0.723 0.222 1.00 0.00 H new ATOM 0 HG SER A 61 16.233 -0.936 1.507 1.00 0.00 H new ATOM 964 N PRO A 62 12.096 1.663 -0.762 1.00 0.00 N ATOM 965 CA PRO A 62 10.654 1.708 -1.000 1.00 0.00 C ATOM 966 C PRO A 62 9.955 0.468 -0.453 1.00 0.00 C ATOM 967 O PRO A 62 10.145 -0.643 -0.952 1.00 0.00 O ATOM 968 CB PRO A 62 10.539 1.760 -2.525 1.00 0.00 C ATOM 969 CG PRO A 62 11.836 2.328 -2.984 1.00 0.00 C ATOM 970 CD PRO A 62 12.868 1.844 -2.004 1.00 0.00 C ATOM 0 HA PRO A 62 10.181 2.555 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.371 0.767 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.701 2.383 -2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.072 1.996 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.799 3.417 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.328 0.912 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.672 2.568 -1.876 1.00 0.00 H new ATOM 978 N GLN A 63 9.150 0.664 0.581 1.00 0.00 N ATOM 979 CA GLN A 63 8.483 -0.443 1.243 1.00 0.00 C ATOM 980 C GLN A 63 7.184 -0.763 0.524 1.00 0.00 C ATOM 981 O GLN A 63 6.249 0.031 0.532 1.00 0.00 O ATOM 982 CB GLN A 63 8.197 -0.099 2.706 1.00 0.00 C ATOM 983 CG GLN A 63 9.438 0.278 3.497 1.00 0.00 C ATOM 984 CD GLN A 63 9.116 0.703 4.915 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.034 1.217 5.191 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.054 0.498 5.822 1.00 0.00 N ATOM 0 H GLN A 63 8.944 1.580 0.978 1.00 0.00 H new ATOM 0 HA GLN A 63 9.137 -1.314 1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.487 0.728 2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.717 -0.953 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.121 -0.571 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.957 1.089 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.939 0.068 5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.893 0.769 6.792 1.00 0.00 H new ATOM 995 N THR A 64 7.149 -1.917 -0.123 1.00 0.00 N ATOM 996 CA THR A 64 5.980 -2.329 -0.873 1.00 0.00 C ATOM 997 C THR A 64 4.911 -2.895 0.055 1.00 0.00 C ATOM 998 O THR A 64 5.023 -4.018 0.552 1.00 0.00 O ATOM 999 CB THR A 64 6.357 -3.375 -1.937 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.480 -2.906 -2.697 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.188 -3.644 -2.869 1.00 0.00 C ATOM 0 H THR A 64 7.920 -2.584 -0.142 1.00 0.00 H new ATOM 0 HA THR A 64 5.577 -1.448 -1.373 1.00 0.00 H new ATOM 0 HB THR A 64 6.617 -4.305 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.720 -3.574 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.479 -4.386 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.342 -4.019 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.903 -2.720 -3.372 1.00 0.00 H new ATOM 1009 N ILE A 65 3.889 -2.097 0.305 1.00 0.00 N ATOM 1010 CA ILE A 65 2.785 -2.509 1.147 1.00 0.00 C ATOM 1011 C ILE A 65 1.677 -3.098 0.288 1.00 0.00 C ATOM 1012 O ILE A 65 0.859 -2.371 -0.281 1.00 0.00 O ATOM 1013 CB ILE A 65 2.229 -1.329 1.976 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.350 -0.664 2.781 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.119 -1.800 2.903 1.00 0.00 C ATOM 1016 CD1 ILE A 65 4.064 -1.601 3.734 1.00 0.00 C ATOM 0 H ILE A 65 3.802 -1.152 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 65 3.157 -3.262 1.842 1.00 0.00 H new ATOM 0 HB ILE A 65 1.813 -0.594 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.079 -0.241 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.932 0.166 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.741 -0.954 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.309 -2.228 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.510 -2.556 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.843 -1.055 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.349 -2.005 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.514 -2.419 3.171 1.00 0.00 H new ATOM 1028 N ASN A 66 1.682 -4.414 0.165 1.00 0.00 N ATOM 1029 CA ASN A 66 0.690 -5.109 -0.643 1.00 0.00 C ATOM 1030 C ASN A 66 -0.601 -5.296 0.136 1.00 0.00 C ATOM 1031 O ASN A 66 -0.787 -6.303 0.821 1.00 0.00 O ATOM 1032 CB ASN A 66 1.216 -6.469 -1.121 1.00 0.00 C ATOM 1033 CG ASN A 66 2.306 -6.344 -2.171 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.329 -5.392 -2.949 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.210 -7.311 -2.214 1.00 0.00 N ATOM 0 H ASN A 66 2.363 -5.026 0.615 1.00 0.00 H new ATOM 0 HA ASN A 66 0.488 -4.493 -1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.603 -7.024 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.389 -7.050 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.956 -7.281 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.160 -8.086 -1.553 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.477 -4.307 0.054 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.774 -4.381 0.702 1.00 0.00 C ATOM 1044 C ILE A 67 -3.749 -5.112 -0.208 1.00 0.00 C ATOM 1045 O ILE A 67 -4.250 -4.550 -1.183 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.329 -2.978 1.036 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.317 -2.188 1.868 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.650 -3.093 1.782 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.779 -0.790 2.223 1.00 0.00 C ATOM 0 H ILE A 67 -1.311 -3.440 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.653 -4.923 1.640 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.503 -2.444 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.108 -2.736 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.379 -2.122 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.027 -2.096 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.373 -3.622 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.497 -3.644 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.010 -0.291 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.960 -0.224 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.700 -0.847 2.803 1.00 0.00 H new ATOM 1061 N ILE A 68 -3.990 -6.375 0.096 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.813 -7.217 -0.752 1.00 0.00 C ATOM 1063 C ILE A 68 -6.262 -7.228 -0.287 1.00 0.00 C ATOM 1064 O ILE A 68 -6.574 -7.671 0.824 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.268 -8.657 -0.795 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.858 -8.666 -1.396 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.202 -9.558 -1.589 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.223 -10.038 -1.458 1.00 0.00 C ATOM 0 H ILE A 68 -3.626 -6.841 0.927 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.777 -6.795 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.213 -9.044 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.901 -8.251 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.219 -8.008 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.801 -10.571 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.186 -9.566 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.290 -9.183 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.228 -9.959 -1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.145 -10.449 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.838 -10.696 -2.072 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.138 -6.730 -1.140 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.560 -6.724 -0.869 1.00 0.00 C ATOM 1082 C TYR A 69 -9.236 -7.884 -1.582 1.00 0.00 C ATOM 1083 O TYR A 69 -8.651 -8.513 -2.463 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.193 -5.407 -1.323 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.717 -4.191 -0.564 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.241 -3.880 0.683 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -7.752 -3.348 -1.098 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -8.819 -2.765 1.378 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.325 -2.230 -0.412 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.861 -1.942 0.825 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.440 -0.827 1.511 1.00 0.00 O ATOM 0 H TYR A 69 -6.882 -6.319 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.700 -6.830 0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.983 -5.264 -2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.275 -5.484 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.993 -4.522 1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.329 -3.571 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.236 -2.539 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.574 -1.583 -0.842 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.855 -0.028 1.124 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.462 -8.161 -1.184 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.272 -9.185 -1.812 1.00 0.00 C ATOM 1103 C GLN A 70 -12.640 -8.593 -2.134 1.00 0.00 C ATOM 1104 O GLN A 70 -13.161 -7.774 -1.370 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.417 -10.391 -0.876 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.881 -11.672 -1.559 1.00 0.00 C ATOM 1107 CD GLN A 70 -10.851 -12.223 -2.530 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -9.961 -12.978 -2.143 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -10.989 -11.891 -3.803 1.00 0.00 N ATOM 0 H GLN A 70 -10.926 -7.680 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.795 -9.525 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.457 -10.578 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.125 -10.139 -0.087 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.100 -12.425 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.811 -11.478 -2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.740 -11.262 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.345 -12.264 -4.500 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.206 -8.979 -3.265 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.503 -8.464 -3.686 1.00 0.00 C ATOM 1120 C LYS A 71 -15.594 -8.944 -2.738 1.00 0.00 C ATOM 1121 O LYS A 71 -15.520 -10.053 -2.214 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.819 -8.932 -5.109 1.00 0.00 C ATOM 1123 CG LYS A 71 -13.677 -8.721 -6.082 1.00 0.00 C ATOM 1124 CD LYS A 71 -13.978 -9.346 -7.431 1.00 0.00 C ATOM 1125 CE LYS A 71 -12.717 -9.482 -8.266 1.00 0.00 C ATOM 1126 NZ LYS A 71 -11.654 -10.224 -7.535 1.00 0.00 N ATOM 0 H LYS A 71 -12.789 -9.649 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.466 -7.375 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.075 -9.991 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.698 -8.399 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.495 -7.653 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.764 -9.155 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.430 -10.327 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.706 -8.735 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.950 -10.001 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.350 -8.492 -8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.867 -10.431 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.307 -9.645 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.043 -11.115 -7.167 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.600 -8.106 -2.510 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.744 -8.505 -1.694 1.00 0.00 C ATOM 1142 C LYS A 72 -18.680 -9.389 -2.508 1.00 0.00 C ATOM 1143 O LYS A 72 -19.649 -9.945 -1.989 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.492 -7.282 -1.152 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.616 -6.381 -0.304 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.411 -5.329 0.463 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.055 -4.287 -0.445 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.344 -4.747 -1.027 1.00 0.00 N ATOM 0 H LYS A 72 -16.648 -7.155 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.375 -9.072 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.893 -6.708 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.342 -7.617 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.054 -6.991 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.888 -5.883 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.188 -5.823 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.751 -4.827 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.224 -3.372 0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.365 -4.039 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.253 -4.815 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.587 -5.681 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -21.094 -4.067 -0.789 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.379 -9.504 -3.793 1.00 0.00 N ATOM 1163 CA ALA A 73 -19.086 -10.413 -4.669 1.00 0.00 C ATOM 1164 C ALA A 73 -18.461 -11.797 -4.576 1.00 0.00 C ATOM 1165 O ALA A 73 -17.239 -11.917 -4.489 1.00 0.00 O ATOM 1166 CB ALA A 73 -19.046 -9.907 -6.101 1.00 0.00 C ATOM 0 H ALA A 73 -17.641 -8.970 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.129 -10.471 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -19.582 -10.602 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -19.517 -8.925 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -18.010 -9.830 -6.431 1.00 0.00 H new ATOM 1172 N PRO A 74 -19.287 -12.850 -4.578 1.00 0.00 N ATOM 1173 CA PRO A 74 -18.804 -14.229 -4.476 1.00 0.00 C ATOM 1174 C PRO A 74 -17.779 -14.576 -5.556 1.00 0.00 C ATOM 1175 O PRO A 74 -18.091 -14.562 -6.750 1.00 0.00 O ATOM 1176 CB PRO A 74 -20.073 -15.068 -4.663 1.00 0.00 C ATOM 1177 CG PRO A 74 -21.191 -14.165 -4.282 1.00 0.00 C ATOM 1178 CD PRO A 74 -20.755 -12.783 -4.675 1.00 0.00 C ATOM 0 HA PRO A 74 -18.291 -14.405 -3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.173 -15.407 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -20.053 -15.959 -4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -22.111 -14.445 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -21.392 -14.222 -3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -21.080 -12.530 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -21.168 -12.026 -4.008 1.00 0.00 H new ATOM 1186 N GLU A 75 -16.551 -14.859 -5.131 1.00 0.00 N ATOM 1187 CA GLU A 75 -15.513 -15.325 -6.041 1.00 0.00 C ATOM 1188 C GLU A 75 -15.877 -16.709 -6.566 1.00 0.00 C ATOM 1189 O GLU A 75 -16.555 -17.481 -5.883 1.00 0.00 O ATOM 1190 CB GLU A 75 -14.156 -15.373 -5.330 1.00 0.00 C ATOM 1191 CG GLU A 75 -13.612 -14.007 -4.930 1.00 0.00 C ATOM 1192 CD GLU A 75 -13.127 -13.178 -6.109 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -12.921 -13.743 -7.204 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -12.926 -11.957 -5.941 1.00 0.00 O ATOM 0 H GLU A 75 -16.251 -14.773 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.439 -14.629 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.248 -15.991 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.433 -15.862 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.390 -13.455 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.789 -14.144 -4.229 1.00 0.00 H new ATOM 1201 N GLN A 76 -15.435 -17.018 -7.773 1.00 0.00 N ATOM 1202 CA GLN A 76 -15.755 -18.294 -8.397 1.00 0.00 C ATOM 1203 C GLN A 76 -14.834 -19.392 -7.879 1.00 0.00 C ATOM 1204 O GLN A 76 -13.934 -19.136 -7.082 1.00 0.00 O ATOM 1205 CB GLN A 76 -15.614 -18.192 -9.914 1.00 0.00 C ATOM 1206 CG GLN A 76 -16.451 -17.090 -10.540 1.00 0.00 C ATOM 1207 CD GLN A 76 -16.225 -16.977 -12.035 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -15.144 -17.290 -12.537 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -17.239 -16.529 -12.754 1.00 0.00 N ATOM 0 H GLN A 76 -14.853 -16.403 -8.342 1.00 0.00 H new ATOM 0 HA GLN A 76 -16.785 -18.544 -8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -14.566 -18.022 -10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -15.896 -19.146 -10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -17.506 -17.284 -10.348 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -16.210 -16.139 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -18.117 -16.281 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.144 -16.431 -13.765 1.00 0.00 H new ATOM 1218 N ALA A 77 -15.068 -20.614 -8.329 1.00 0.00 N ATOM 1219 CA ALA A 77 -14.164 -21.710 -8.036 1.00 0.00 C ATOM 1220 C ALA A 77 -13.054 -21.747 -9.078 1.00 0.00 C ATOM 1221 O ALA A 77 -13.197 -22.370 -10.133 1.00 0.00 O ATOM 1222 CB ALA A 77 -14.915 -23.033 -7.995 1.00 0.00 C ATOM 0 H ALA A 77 -15.875 -20.870 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.720 -21.552 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.217 -23.841 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -15.681 -22.993 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -15.385 -23.214 -8.961 1.00 0.00 H new ATOM 1228 N LEU A 78 -11.971 -21.038 -8.793 1.00 0.00 N ATOM 1229 CA LEU A 78 -10.864 -20.925 -9.731 1.00 0.00 C ATOM 1230 C LEU A 78 -10.125 -22.247 -9.869 1.00 0.00 C ATOM 1231 O LEU A 78 -9.922 -22.970 -8.890 1.00 0.00 O ATOM 1232 CB LEU A 78 -9.870 -19.832 -9.303 1.00 0.00 C ATOM 1233 CG LEU A 78 -10.362 -18.381 -9.416 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -11.070 -18.147 -10.742 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -11.262 -18.011 -8.248 1.00 0.00 C ATOM 0 H LEU A 78 -11.836 -20.532 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.294 -20.651 -10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.584 -20.016 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.968 -19.935 -9.906 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.487 -17.732 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.408 -17.112 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.381 -18.347 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.929 -18.814 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.594 -16.978 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.129 -18.671 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.709 -18.118 -7.315 1.00 0.00 H new ATOM 1247 N GLU A 79 -9.730 -22.548 -11.095 1.00 0.00 N ATOM 1248 CA GLU A 79 -8.906 -23.710 -11.373 1.00 0.00 C ATOM 1249 C GLU A 79 -7.502 -23.478 -10.830 1.00 0.00 C ATOM 1250 O GLU A 79 -6.841 -24.401 -10.356 1.00 0.00 O ATOM 1251 CB GLU A 79 -8.868 -24.010 -12.879 1.00 0.00 C ATOM 1252 CG GLU A 79 -9.317 -22.855 -13.772 1.00 0.00 C ATOM 1253 CD GLU A 79 -8.378 -21.666 -13.742 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -8.569 -20.770 -12.893 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -7.453 -21.617 -14.568 1.00 0.00 O ATOM 0 H GLU A 79 -9.970 -21.997 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.340 -24.578 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.851 -24.290 -13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.502 -24.874 -13.080 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.405 -23.213 -14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.310 -22.531 -13.461 1.00 0.00 H new ATOM 1262 N HIS A 80 -7.059 -22.232 -10.893 1.00 0.00 N ATOM 1263 CA HIS A 80 -5.816 -21.836 -10.256 1.00 0.00 C ATOM 1264 C HIS A 80 -6.104 -21.389 -8.830 1.00 0.00 C ATOM 1265 O HIS A 80 -6.376 -20.215 -8.584 1.00 0.00 O ATOM 1266 CB HIS A 80 -5.123 -20.706 -11.028 1.00 0.00 C ATOM 1267 CG HIS A 80 -4.698 -21.083 -12.415 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -4.948 -20.298 -13.519 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -4.017 -22.161 -12.871 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -4.440 -20.874 -14.591 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -3.870 -22.007 -14.227 1.00 0.00 N ATOM 0 H HIS A 80 -7.544 -21.478 -11.380 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.144 -22.694 -10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.799 -19.853 -11.086 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.247 -20.381 -10.467 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.656 -22.988 -12.278 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.483 -20.484 -15.597 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.398 -22.661 -14.851 1.00 0.00 H new ATOM 1280 N HIS A 81 -6.079 -22.340 -7.901 1.00 0.00 N ATOM 1281 CA HIS A 81 -6.400 -22.057 -6.504 1.00 0.00 C ATOM 1282 C HIS A 81 -5.375 -21.101 -5.907 1.00 0.00 C ATOM 1283 O HIS A 81 -5.727 -20.119 -5.255 1.00 0.00 O ATOM 1284 CB HIS A 81 -6.472 -23.355 -5.691 1.00 0.00 C ATOM 1285 CG HIS A 81 -7.652 -24.216 -6.039 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -8.788 -24.279 -5.264 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -7.869 -25.050 -7.086 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -9.654 -25.108 -5.817 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -9.121 -25.590 -6.922 1.00 0.00 N ATOM 0 H HIS A 81 -5.840 -23.314 -8.089 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.379 -21.579 -6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.557 -23.925 -5.850 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.513 -23.108 -4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.185 -25.252 -7.897 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.633 -25.350 -5.430 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.566 -26.256 -7.553 1.00 0.00 H new ATOM 1298 N HIS A 82 -4.107 -21.403 -6.120 1.00 0.00 N ATOM 1299 CA HIS A 82 -3.041 -20.470 -5.803 1.00 0.00 C ATOM 1300 C HIS A 82 -2.562 -19.812 -7.083 1.00 0.00 C ATOM 1301 O HIS A 82 -2.030 -20.478 -7.972 1.00 0.00 O ATOM 1302 CB HIS A 82 -1.887 -21.175 -5.085 1.00 0.00 C ATOM 1303 CG HIS A 82 -2.133 -21.371 -3.621 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -1.236 -20.986 -2.652 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -3.191 -21.899 -2.962 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -1.731 -21.263 -1.462 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -2.919 -21.817 -1.619 1.00 0.00 N ATOM 0 H HIS A 82 -3.790 -22.290 -6.512 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.423 -19.706 -5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.717 -22.146 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.975 -20.593 -5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.084 -22.309 -3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -1.246 -21.069 -0.517 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.533 -22.132 -0.867 1.00 0.00 H new ATOM 1316 N HIS A 83 -2.778 -18.509 -7.180 1.00 0.00 N ATOM 1317 CA HIS A 83 -2.499 -17.775 -8.406 1.00 0.00 C ATOM 1318 C HIS A 83 -1.027 -17.837 -8.776 1.00 0.00 C ATOM 1319 O HIS A 83 -0.152 -17.470 -7.991 1.00 0.00 O ATOM 1320 CB HIS A 83 -2.941 -16.317 -8.282 1.00 0.00 C ATOM 1321 CG HIS A 83 -4.426 -16.147 -8.212 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -5.053 -15.457 -7.204 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -5.407 -16.572 -9.040 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -6.354 -15.464 -7.409 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -6.600 -16.134 -8.521 1.00 0.00 N ATOM 0 H HIS A 83 -3.147 -17.936 -6.421 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.070 -18.254 -9.201 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.491 -15.884 -7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.559 -15.756 -9.135 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.584 -15.008 -6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.276 -17.150 -9.943 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.095 -15.000 -6.775 1.00 0.00 H new ATOM 1334 N HIS A 84 -0.768 -18.328 -9.974 1.00 0.00 N ATOM 1335 CA HIS A 84 0.576 -18.379 -10.515 1.00 0.00 C ATOM 1336 C HIS A 84 0.789 -17.214 -11.470 1.00 0.00 C ATOM 1337 O HIS A 84 -0.049 -16.941 -12.331 1.00 0.00 O ATOM 1338 CB HIS A 84 0.816 -19.728 -11.212 1.00 0.00 C ATOM 1339 CG HIS A 84 1.897 -19.712 -12.256 1.00 0.00 C ATOM 1340 ND1 HIS A 84 3.242 -19.692 -11.959 1.00 0.00 N ATOM 1341 CD2 HIS A 84 1.814 -19.707 -13.607 1.00 0.00 C ATOM 1342 CE1 HIS A 84 3.935 -19.673 -13.083 1.00 0.00 C ATOM 1343 NE2 HIS A 84 3.095 -19.682 -14.096 1.00 0.00 N ATOM 0 H HIS A 84 -1.483 -18.702 -10.598 1.00 0.00 H new ATOM 0 HA HIS A 84 1.299 -18.291 -9.704 1.00 0.00 H new ATOM 0 HB2 HIS A 84 1.070 -20.472 -10.457 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.115 -20.052 -11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.906 -19.720 -14.192 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.012 -19.653 -13.158 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.354 -19.672 -15.083 1.00 0.00 H new ATOM 1352 N HIS A 85 1.904 -16.533 -11.305 1.00 0.00 N ATOM 1353 CA HIS A 85 2.246 -15.407 -12.151 1.00 0.00 C ATOM 1354 C HIS A 85 3.653 -15.596 -12.689 1.00 0.00 C ATOM 1355 O HIS A 85 4.599 -15.565 -11.878 1.00 0.00 O ATOM 1356 CB HIS A 85 2.146 -14.095 -11.367 1.00 0.00 C ATOM 1357 CG HIS A 85 2.452 -12.879 -12.188 1.00 0.00 C ATOM 1358 ND1 HIS A 85 3.693 -12.283 -12.207 1.00 0.00 N ATOM 1359 CD2 HIS A 85 1.672 -12.147 -13.017 1.00 0.00 C ATOM 1360 CE1 HIS A 85 3.664 -11.239 -13.011 1.00 0.00 C ATOM 1361 NE2 HIS A 85 2.450 -11.132 -13.518 1.00 0.00 N ATOM 1362 OXT HIS A 85 3.803 -15.794 -13.907 1.00 0.00 O ATOM 0 H HIS A 85 2.596 -16.742 -10.585 1.00 0.00 H new ATOM 0 HA HIS A 85 1.544 -15.357 -12.983 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.140 -14.002 -10.957 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.832 -14.134 -10.521 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.631 -12.327 -13.243 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.495 -10.581 -13.220 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.141 -10.414 -14.173 1.00 0.00 H new TER 1371 HIS A 85