USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 913 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 19 HIS :FLIP no HD1:sc= -7.75! C(o=-8.7!,f=-7.8!) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 ASN : amide:sc= -0.0825 X(o=-0.32,f=-0.72) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.181 K(o=-0.32,f=-3!) USER MOD Set 2.3: A 38 HIS :FLIP no HD1:sc= -0.0556 F(o=-0.88,f=-0.32) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.582 (180deg=0.542) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.572 USER MOD Single : A 3 MET CE :methyl -140:sc= -3.77 (180deg=-7.34!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -119:sc= -0.303 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.793 F(o=-1.8,f=-0.79) USER MOD Single : A 10 MET CE :methyl 146:sc= -0.0851 (180deg=-0.251) USER MOD Single : A 13 THR OG1 : rot 173:sc= -0.85 USER MOD Single : A 18 GLN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.408 (180deg=-0.572) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 27:sc= -4.6! USER MOD Single : A 33 HIS : no HD1:sc= -1.95 X(o=-1.9,f=-1.5) USER MOD Single : A 42 SER OG : rot 150:sc= -2.03 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc=-0.00423 X(o=-0.0042,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.838 F(o=-2.7!,f=-0.84) USER MOD Single : A 56 THR OG1 : rot 121:sc= 0.315 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.463 F(o=-1.3,f=-0.46) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00375 USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= -0.379 (180deg=-1.21) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.4 F(o=-3,f=-1.4) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 25:sc= -1.14 USER MOD Single : A 75 ASN : amide:sc= 0.645 K(o=0.64,f=-0.063) USER MOD Single : A 79 ASN : amide:sc= 0.28 K(o=0.28,f=-0.75) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= -0.0238 (180deg=-0.486) USER MOD Single : A 84 GLN : amide:sc= -2.38 K(o=-2.4,f=-8.1!) USER MOD Single : A 86 ASN : amide:sc= -4.18 K(o=-4.2,f=-6.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.0062) USER MOD Single : A 90 HIS : no HE2:sc= -1.96! C(o=-2!,f=-9.4!) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.203 (180deg=-0.675) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 45:sc= 0.337 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.514 0.573 -5.350 1.00 0.00 N ATOM 2 CA MET A 1 185.474 0.950 -6.787 1.00 0.00 C ATOM 3 C MET A 1 184.288 0.298 -7.491 1.00 0.00 C ATOM 4 O MET A 1 183.383 0.984 -7.964 1.00 0.00 O ATOM 5 CB MET A 1 186.787 0.517 -7.442 1.00 0.00 C ATOM 6 CG MET A 1 187.222 1.417 -8.587 1.00 0.00 C ATOM 7 SD MET A 1 187.377 0.531 -10.151 1.00 0.00 S ATOM 8 CE MET A 1 185.817 0.943 -10.928 1.00 0.00 C ATOM 0 H1 MET A 1 186.289 1.082 -4.879 1.00 0.00 H new ATOM 0 H2 MET A 1 184.611 0.824 -4.900 1.00 0.00 H new ATOM 0 H3 MET A 1 185.671 -0.452 -5.264 1.00 0.00 H new ATOM 0 HA MET A 1 185.353 2.030 -6.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.572 0.500 -6.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 186.679 -0.502 -7.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 186.500 2.225 -8.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 188.178 1.877 -8.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 185.762 0.468 -11.907 1.00 0.00 H new ATOM 0 HE2 MET A 1 184.996 0.588 -10.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 185.743 2.024 -11.045 1.00 0.00 H new ATOM 20 N THR A 2 184.293 -1.030 -7.548 1.00 0.00 N ATOM 21 CA THR A 2 183.211 -1.772 -8.186 1.00 0.00 C ATOM 22 C THR A 2 181.917 -1.624 -7.384 1.00 0.00 C ATOM 23 O THR A 2 181.726 -0.624 -6.691 1.00 0.00 O ATOM 24 CB THR A 2 183.591 -3.249 -8.324 1.00 0.00 C ATOM 25 OG1 THR A 2 182.600 -3.954 -9.051 1.00 0.00 O ATOM 26 CG2 THR A 2 183.764 -3.946 -6.993 1.00 0.00 C ATOM 0 H THR A 2 185.034 -1.614 -7.160 1.00 0.00 H new ATOM 0 HA THR A 2 183.047 -1.361 -9.182 1.00 0.00 H new ATOM 0 HB THR A 2 184.547 -3.256 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 2 182.860 -4.895 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.033 -4.989 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 2 184.554 -3.455 -6.425 1.00 0.00 H new ATOM 0 HG23 THR A 2 182.830 -3.897 -6.433 1.00 0.00 H new ATOM 34 N MET A 3 181.030 -2.613 -7.478 1.00 0.00 N ATOM 35 CA MET A 3 179.765 -2.567 -6.754 1.00 0.00 C ATOM 36 C MET A 3 179.346 -3.953 -6.269 1.00 0.00 C ATOM 37 O MET A 3 178.770 -4.738 -7.023 1.00 0.00 O ATOM 38 CB MET A 3 178.670 -1.976 -7.646 1.00 0.00 C ATOM 39 CG MET A 3 177.343 -1.775 -6.931 1.00 0.00 C ATOM 40 SD MET A 3 176.256 -0.625 -7.796 1.00 0.00 S ATOM 41 CE MET A 3 176.196 0.729 -6.626 1.00 0.00 C ATOM 0 H MET A 3 181.164 -3.450 -8.045 1.00 0.00 H new ATOM 0 HA MET A 3 179.905 -1.932 -5.879 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.011 -1.018 -8.038 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.516 -2.634 -8.502 1.00 0.00 H new ATOM 0 HG2 MET A 3 176.840 -2.737 -6.829 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.530 -1.404 -5.923 1.00 0.00 H new ATOM 0 HE1 MET A 3 175.182 1.125 -6.579 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.491 0.371 -5.640 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.878 1.517 -6.946 1.00 0.00 H new ATOM 51 N ASN A 4 179.636 -4.246 -5.004 1.00 0.00 N ATOM 52 CA ASN A 4 179.285 -5.535 -4.416 1.00 0.00 C ATOM 53 C ASN A 4 178.061 -5.398 -3.515 1.00 0.00 C ATOM 54 O ASN A 4 178.083 -4.652 -2.536 1.00 0.00 O ATOM 55 CB ASN A 4 180.462 -6.101 -3.615 1.00 0.00 C ATOM 56 CG ASN A 4 181.213 -7.180 -4.370 1.00 0.00 C ATOM 57 OD1 ASN A 4 181.265 -7.171 -5.600 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.797 -8.119 -3.635 1.00 0.00 N ATOM 0 H ASN A 4 180.113 -3.608 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 4 179.049 -6.224 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.149 -5.293 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.094 -6.510 -2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.315 -8.872 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.728 -8.087 -2.618 1.00 0.00 H new ATOM 65 N ILE A 5 176.996 -6.118 -3.850 1.00 0.00 N ATOM 66 CA ILE A 5 175.766 -6.067 -3.068 1.00 0.00 C ATOM 67 C ILE A 5 175.212 -7.466 -2.821 1.00 0.00 C ATOM 68 O ILE A 5 174.768 -8.142 -3.749 1.00 0.00 O ATOM 69 CB ILE A 5 174.687 -5.217 -3.767 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.292 -3.915 -4.296 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.541 -4.924 -2.812 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.296 -3.042 -5.028 1.00 0.00 C ATOM 0 H ILE A 5 176.959 -6.742 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 5 176.020 -5.605 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 5 174.295 -5.782 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.712 -3.353 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.117 -4.153 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.788 -4.323 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.094 -5.862 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 5 173.918 -4.377 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 5 174.793 -2.136 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 5 173.894 -3.586 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.483 -2.774 -4.354 1.00 0.00 H new ATOM 84 N THR A 6 175.242 -7.895 -1.562 1.00 0.00 N ATOM 85 CA THR A 6 174.743 -9.216 -1.190 1.00 0.00 C ATOM 86 C THR A 6 173.750 -9.118 -0.036 1.00 0.00 C ATOM 87 O THR A 6 174.142 -9.027 1.126 1.00 0.00 O ATOM 88 CB THR A 6 175.902 -10.134 -0.804 1.00 0.00 C ATOM 89 OG1 THR A 6 175.428 -11.425 -0.469 1.00 0.00 O ATOM 90 CG2 THR A 6 176.709 -9.622 0.369 1.00 0.00 C ATOM 0 H THR A 6 175.606 -7.347 -0.782 1.00 0.00 H new ATOM 0 HA THR A 6 174.229 -9.637 -2.054 1.00 0.00 H new ATOM 0 HB THR A 6 176.549 -10.165 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 6 176.185 -11.999 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.515 -10.322 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 6 177.131 -8.648 0.123 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.063 -9.527 1.241 1.00 0.00 H new ATOM 98 N SER A 7 172.463 -9.140 -0.366 1.00 0.00 N ATOM 99 CA SER A 7 171.413 -9.056 0.644 1.00 0.00 C ATOM 100 C SER A 7 171.086 -10.435 1.205 1.00 0.00 C ATOM 101 O SER A 7 171.195 -11.442 0.507 1.00 0.00 O ATOM 102 CB SER A 7 170.162 -8.415 0.048 1.00 0.00 C ATOM 103 OG SER A 7 170.317 -7.012 -0.066 1.00 0.00 O ATOM 0 H SER A 7 172.122 -9.215 -1.324 1.00 0.00 H new ATOM 0 HA SER A 7 171.774 -8.434 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.962 -8.844 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.300 -8.640 0.676 1.00 0.00 H new ATOM 0 HG SER A 7 169.638 -6.562 0.479 1.00 0.00 H new ATOM 109 N LYS A 8 170.689 -10.475 2.475 1.00 0.00 N ATOM 110 CA LYS A 8 170.351 -11.733 3.132 1.00 0.00 C ATOM 111 C LYS A 8 169.051 -12.310 2.579 1.00 0.00 C ATOM 112 O LYS A 8 169.066 -13.256 1.793 1.00 0.00 O ATOM 113 CB LYS A 8 170.236 -11.530 4.645 1.00 0.00 C ATOM 114 CG LYS A 8 169.883 -12.798 5.405 1.00 0.00 C ATOM 115 CD LYS A 8 169.945 -12.584 6.909 1.00 0.00 C ATOM 116 CE LYS A 8 171.050 -13.413 7.546 1.00 0.00 C ATOM 117 NZ LYS A 8 170.521 -14.659 8.172 1.00 0.00 N ATOM 0 H LYS A 8 170.594 -9.651 3.068 1.00 0.00 H new ATOM 0 HA LYS A 8 171.152 -12.444 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.181 -11.141 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.477 -10.774 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 8 168.882 -13.124 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.569 -13.596 5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 8 170.113 -11.528 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 8 168.987 -12.850 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 8 171.790 -13.673 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 8 171.562 -12.816 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 171.305 -15.195 8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 169.833 -14.411 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 170.055 -15.241 7.447 1.00 0.00 H new ATOM 131 N GLN A 9 167.926 -11.738 2.998 1.00 0.00 N ATOM 132 CA GLN A 9 166.619 -12.200 2.546 1.00 0.00 C ATOM 133 C GLN A 9 165.772 -11.032 2.048 1.00 0.00 C ATOM 134 O GLN A 9 164.602 -10.901 2.408 1.00 0.00 O ATOM 135 CB GLN A 9 165.892 -12.934 3.676 1.00 0.00 C ATOM 136 CG GLN A 9 166.055 -12.277 5.038 1.00 0.00 C ATOM 137 CD GLN A 9 165.132 -11.089 5.227 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.714 -9.915 5.444 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 163.909 -11.224 5.179 1.00 0.00 N flip ATOM 0 H GLN A 9 167.894 -10.954 3.650 1.00 0.00 H new ATOM 0 HA GLN A 9 166.772 -12.892 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.830 -12.992 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 9 166.263 -13.958 3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.858 -13.013 5.818 1.00 0.00 H new ATOM 0 HG3 GLN A 9 167.088 -11.952 5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 9 163.504 -12.145 5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 9 163.301 -10.415 5.308 1.00 0.00 H new ATOM 148 N MET A 10 166.373 -10.186 1.219 1.00 0.00 N ATOM 149 CA MET A 10 165.677 -9.027 0.669 1.00 0.00 C ATOM 150 C MET A 10 166.490 -8.392 -0.454 1.00 0.00 C ATOM 151 O MET A 10 167.496 -7.727 -0.205 1.00 0.00 O ATOM 152 CB MET A 10 165.412 -7.999 1.769 1.00 0.00 C ATOM 153 CG MET A 10 164.692 -6.753 1.276 1.00 0.00 C ATOM 154 SD MET A 10 163.133 -7.133 0.454 1.00 0.00 S ATOM 155 CE MET A 10 162.039 -5.954 1.243 1.00 0.00 C ATOM 0 H MET A 10 167.341 -10.280 0.912 1.00 0.00 H new ATOM 0 HA MET A 10 164.724 -9.363 0.259 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.818 -8.465 2.555 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.361 -7.707 2.218 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.501 -6.090 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.340 -6.212 0.586 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.288 -5.619 0.528 1.00 0.00 H new ATOM 0 HE2 MET A 10 161.546 -6.427 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.617 -5.097 1.590 1.00 0.00 H new ATOM 165 N GLU A 11 166.048 -8.597 -1.691 1.00 0.00 N ATOM 166 CA GLU A 11 166.737 -8.044 -2.851 1.00 0.00 C ATOM 167 C GLU A 11 166.887 -6.531 -2.728 1.00 0.00 C ATOM 168 O GLU A 11 166.426 -5.928 -1.758 1.00 0.00 O ATOM 169 CB GLU A 11 165.980 -8.391 -4.133 1.00 0.00 C ATOM 170 CG GLU A 11 164.496 -8.065 -4.070 1.00 0.00 C ATOM 171 CD GLU A 11 164.135 -6.827 -4.867 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.508 -5.715 -4.436 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.482 -6.969 -5.922 1.00 0.00 O ATOM 0 H GLU A 11 165.216 -9.142 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 11 167.733 -8.486 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.427 -7.850 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.102 -9.454 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.925 -8.914 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.204 -7.921 -3.030 1.00 0.00 H new ATOM 180 N ILE A 12 167.533 -5.924 -3.716 1.00 0.00 N ATOM 181 CA ILE A 12 167.745 -4.480 -3.717 1.00 0.00 C ATOM 182 C ILE A 12 166.607 -3.765 -4.436 1.00 0.00 C ATOM 183 O ILE A 12 166.291 -4.077 -5.584 1.00 0.00 O ATOM 184 CB ILE A 12 169.083 -4.094 -4.387 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.121 -5.205 -4.204 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.598 -2.783 -3.814 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.351 -5.587 -2.757 1.00 0.00 C ATOM 0 H ILE A 12 167.919 -6.408 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 12 167.775 -4.168 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 12 168.910 -3.964 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.798 -6.087 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.066 -4.883 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.541 -2.522 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 12 168.868 -1.995 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.755 -2.892 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.098 -6.379 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.704 -4.717 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.416 -5.940 -2.321 1.00 0.00 H new ATOM 199 N THR A 13 165.997 -2.802 -3.754 1.00 0.00 N ATOM 200 CA THR A 13 164.895 -2.042 -4.331 1.00 0.00 C ATOM 201 C THR A 13 165.422 -0.966 -5.275 1.00 0.00 C ATOM 202 O THR A 13 166.556 -0.509 -5.135 1.00 0.00 O ATOM 203 CB THR A 13 164.054 -1.400 -3.225 1.00 0.00 C ATOM 204 OG1 THR A 13 164.703 -0.252 -2.707 1.00 0.00 O ATOM 205 CG2 THR A 13 163.772 -2.331 -2.066 1.00 0.00 C ATOM 0 H THR A 13 166.246 -2.530 -2.803 1.00 0.00 H new ATOM 0 HA THR A 13 164.267 -2.728 -4.899 1.00 0.00 H new ATOM 0 HB THR A 13 163.106 -1.141 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.104 0.209 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.172 -1.811 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.228 -3.204 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.713 -2.649 -1.618 1.00 0.00 H new ATOM 213 N PRO A 14 164.604 -0.545 -6.255 1.00 0.00 N ATOM 214 CA PRO A 14 164.997 0.485 -7.220 1.00 0.00 C ATOM 215 C PRO A 14 165.510 1.745 -6.535 1.00 0.00 C ATOM 216 O PRO A 14 166.455 2.378 -7.003 1.00 0.00 O ATOM 217 CB PRO A 14 163.702 0.781 -7.996 1.00 0.00 C ATOM 218 CG PRO A 14 162.607 0.132 -7.215 1.00 0.00 C ATOM 219 CD PRO A 14 163.238 -1.025 -6.497 1.00 0.00 C ATOM 0 HA PRO A 14 165.814 0.150 -7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.536 1.855 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 14 163.752 0.380 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.163 0.834 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 14 161.807 -0.207 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.719 -1.257 -5.567 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.228 -1.932 -7.102 1.00 0.00 H new ATOM 227 N ALA A 15 164.882 2.101 -5.420 1.00 0.00 N ATOM 228 CA ALA A 15 165.276 3.284 -4.665 1.00 0.00 C ATOM 229 C ALA A 15 166.657 3.105 -4.043 1.00 0.00 C ATOM 230 O ALA A 15 167.553 3.922 -4.253 1.00 0.00 O ATOM 231 CB ALA A 15 164.243 3.585 -3.588 1.00 0.00 C ATOM 0 H ALA A 15 164.098 1.587 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 15 165.326 4.127 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.547 4.471 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.274 3.764 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.168 2.736 -2.909 1.00 0.00 H new ATOM 237 N ILE A 16 166.820 2.033 -3.275 1.00 0.00 N ATOM 238 CA ILE A 16 168.089 1.745 -2.619 1.00 0.00 C ATOM 239 C ILE A 16 169.218 1.604 -3.634 1.00 0.00 C ATOM 240 O ILE A 16 170.242 2.280 -3.538 1.00 0.00 O ATOM 241 CB ILE A 16 168.004 0.458 -1.774 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.889 0.584 -0.737 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.335 0.173 -1.090 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.666 -0.677 0.070 1.00 0.00 C ATOM 0 H ILE A 16 166.087 1.348 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 16 168.303 2.588 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 16 167.776 -0.377 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.127 1.403 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.961 0.850 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.252 -0.739 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.112 0.048 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.594 1.006 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.860 -0.513 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.397 -1.494 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.580 -0.933 0.605 1.00 0.00 H new ATOM 256 N ARG A 17 169.026 0.718 -4.606 1.00 0.00 N ATOM 257 CA ARG A 17 170.030 0.486 -5.638 1.00 0.00 C ATOM 258 C ARG A 17 170.452 1.803 -6.292 1.00 0.00 C ATOM 259 O ARG A 17 171.622 1.996 -6.620 1.00 0.00 O ATOM 260 CB ARG A 17 169.492 -0.505 -6.683 1.00 0.00 C ATOM 261 CG ARG A 17 170.087 -0.338 -8.075 1.00 0.00 C ATOM 262 CD ARG A 17 169.349 0.725 -8.874 1.00 0.00 C ATOM 263 NE ARG A 17 169.020 0.265 -10.222 1.00 0.00 N ATOM 264 CZ ARG A 17 169.884 0.261 -11.234 1.00 0.00 C ATOM 265 NH1 ARG A 17 171.123 0.704 -11.063 1.00 0.00 N ATOM 266 NH2 ARG A 17 169.506 -0.187 -12.425 1.00 0.00 N ATOM 0 H ARG A 17 168.185 0.149 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 17 170.915 0.050 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 17 169.687 -1.520 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.410 -0.393 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 17 171.139 -0.066 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 17 170.044 -1.289 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 17 168.433 1.001 -8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.963 1.623 -8.937 1.00 0.00 H new ATOM 0 HE ARG A 17 168.073 -0.072 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.419 1.051 -10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 17 171.779 0.698 -11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 17 168.555 -0.527 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 17 170.167 -0.191 -13.202 1.00 0.00 H new ATOM 280 N GLN A 18 169.491 2.703 -6.481 1.00 0.00 N ATOM 281 CA GLN A 18 169.767 3.997 -7.098 1.00 0.00 C ATOM 282 C GLN A 18 170.415 4.958 -6.104 1.00 0.00 C ATOM 283 O GLN A 18 171.377 5.651 -6.434 1.00 0.00 O ATOM 284 CB GLN A 18 168.475 4.611 -7.642 1.00 0.00 C ATOM 285 CG GLN A 18 168.700 5.555 -8.812 1.00 0.00 C ATOM 286 CD GLN A 18 168.711 4.836 -10.146 1.00 0.00 C ATOM 287 OE1 GLN A 18 167.715 4.830 -10.869 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.840 4.222 -10.478 1.00 0.00 N ATOM 0 H GLN A 18 168.516 2.561 -6.216 1.00 0.00 H new ATOM 0 HA GLN A 18 170.464 3.832 -7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.805 3.810 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 18 167.973 5.152 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 18 167.917 6.313 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.647 6.077 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.642 4.253 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.906 3.719 -11.363 1.00 0.00 H new ATOM 297 N HIS A 19 169.878 4.998 -4.889 1.00 0.00 N ATOM 298 CA HIS A 19 170.399 5.877 -3.847 1.00 0.00 C ATOM 299 C HIS A 19 171.866 5.570 -3.555 1.00 0.00 C ATOM 300 O HIS A 19 172.696 6.477 -3.469 1.00 0.00 O ATOM 301 CB HIS A 19 169.570 5.726 -2.568 1.00 0.00 C ATOM 302 CG HIS A 19 169.143 7.030 -1.965 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.382 7.561 -0.742 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 168.364 7.952 -2.632 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.750 8.779 -0.695 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 168.142 8.991 -1.847 1.00 0.00 N flip ATOM 0 H HIS A 19 169.081 4.431 -4.601 1.00 0.00 H new ATOM 0 HA HIS A 19 170.328 6.905 -4.203 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.684 5.131 -2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.152 5.170 -1.833 1.00 0.00 H new ATOM 0 HD2 HIS A 19 167.993 7.842 -3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 19 168.750 9.454 0.148 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.594 9.816 -2.090 1.00 0.00 H new ATOM 315 N VAL A 20 172.174 4.288 -3.399 1.00 0.00 N ATOM 316 CA VAL A 20 173.536 3.856 -3.110 1.00 0.00 C ATOM 317 C VAL A 20 174.457 4.085 -4.305 1.00 0.00 C ATOM 318 O VAL A 20 175.534 4.661 -4.167 1.00 0.00 O ATOM 319 CB VAL A 20 173.580 2.367 -2.720 1.00 0.00 C ATOM 320 CG1 VAL A 20 174.988 1.959 -2.311 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.590 2.075 -1.602 1.00 0.00 C ATOM 0 H VAL A 20 171.497 3.528 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 20 173.885 4.457 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 20 173.294 1.778 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 20 174.997 0.903 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.671 2.125 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.306 2.556 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.637 1.018 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.841 2.676 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.582 2.322 -1.935 1.00 0.00 H new ATOM 331 N ALA A 21 174.026 3.625 -5.475 1.00 0.00 N ATOM 332 CA ALA A 21 174.811 3.773 -6.696 1.00 0.00 C ATOM 333 C ALA A 21 175.197 5.230 -6.935 1.00 0.00 C ATOM 334 O ALA A 21 176.269 5.519 -7.471 1.00 0.00 O ATOM 335 CB ALA A 21 174.037 3.228 -7.888 1.00 0.00 C ATOM 0 H ALA A 21 173.135 3.145 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 21 175.730 3.199 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.633 3.344 -8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.821 2.172 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.102 3.777 -7.997 1.00 0.00 H new ATOM 341 N ASP A 22 174.318 6.145 -6.540 1.00 0.00 N ATOM 342 CA ASP A 22 174.568 7.571 -6.715 1.00 0.00 C ATOM 343 C ASP A 22 175.679 8.054 -5.785 1.00 0.00 C ATOM 344 O ASP A 22 176.739 8.486 -6.240 1.00 0.00 O ATOM 345 CB ASP A 22 173.289 8.369 -6.459 1.00 0.00 C ATOM 346 CG ASP A 22 173.354 9.766 -7.046 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.304 10.505 -6.715 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.455 10.119 -7.839 1.00 0.00 O ATOM 0 H ASP A 22 173.426 5.924 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 22 174.890 7.731 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.440 7.837 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.114 8.436 -5.385 1.00 0.00 H new ATOM 353 N ARG A 23 175.429 7.981 -4.482 1.00 0.00 N ATOM 354 CA ARG A 23 176.412 8.416 -3.494 1.00 0.00 C ATOM 355 C ARG A 23 177.681 7.575 -3.580 1.00 0.00 C ATOM 356 O ARG A 23 178.792 8.101 -3.506 1.00 0.00 O ATOM 357 CB ARG A 23 175.824 8.329 -2.084 1.00 0.00 C ATOM 358 CG ARG A 23 174.682 9.306 -1.839 1.00 0.00 C ATOM 359 CD ARG A 23 175.062 10.726 -2.233 1.00 0.00 C ATOM 360 NE ARG A 23 176.444 11.047 -1.881 1.00 0.00 N ATOM 361 CZ ARG A 23 176.861 11.267 -0.636 1.00 0.00 C ATOM 362 NH1 ARG A 23 176.007 11.202 0.379 1.00 0.00 N ATOM 363 NH2 ARG A 23 178.135 11.550 -0.403 1.00 0.00 N ATOM 0 H ARG A 23 174.558 7.627 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 23 176.670 9.453 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.466 7.314 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.614 8.517 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 23 173.807 8.992 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 23 174.403 9.283 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.924 10.852 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 23 174.391 11.430 -1.740 1.00 0.00 H new ATOM 0 HE ARG A 23 177.130 11.106 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 23 175.026 10.983 0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 23 176.332 11.371 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 23 178.796 11.599 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 23 178.454 11.718 0.551 1.00 0.00 H new ATOM 377 N LEU A 24 177.509 6.268 -3.738 1.00 0.00 N ATOM 378 CA LEU A 24 178.640 5.353 -3.836 1.00 0.00 C ATOM 379 C LEU A 24 179.542 5.728 -5.008 1.00 0.00 C ATOM 380 O LEU A 24 180.763 5.595 -4.932 1.00 0.00 O ATOM 381 CB LEU A 24 178.149 3.913 -3.999 1.00 0.00 C ATOM 382 CG LEU A 24 179.241 2.843 -3.932 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.113 3.045 -2.701 1.00 0.00 C ATOM 384 CD2 LEU A 24 178.622 1.453 -3.929 1.00 0.00 C ATOM 0 H LEU A 24 176.596 5.817 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 24 179.217 5.430 -2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.412 3.707 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 177.636 3.827 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 24 179.872 2.937 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 24 180.884 2.275 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.583 4.027 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.497 2.978 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 24 179.412 0.703 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 177.968 1.348 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.042 1.311 -4.841 1.00 0.00 H new ATOM 396 N ALA A 25 178.932 6.197 -6.092 1.00 0.00 N ATOM 397 CA ALA A 25 179.678 6.591 -7.278 1.00 0.00 C ATOM 398 C ALA A 25 180.577 7.788 -6.989 1.00 0.00 C ATOM 399 O ALA A 25 181.779 7.753 -7.255 1.00 0.00 O ATOM 400 CB ALA A 25 178.727 6.905 -8.423 1.00 0.00 C ATOM 0 H ALA A 25 177.922 6.313 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 25 180.314 5.755 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.301 7.198 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.133 6.021 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.065 7.721 -8.133 1.00 0.00 H new ATOM 406 N LYS A 26 179.989 8.848 -6.443 1.00 0.00 N ATOM 407 CA LYS A 26 180.743 10.056 -6.122 1.00 0.00 C ATOM 408 C LYS A 26 181.770 9.783 -5.022 1.00 0.00 C ATOM 409 O LYS A 26 182.814 10.433 -4.960 1.00 0.00 O ATOM 410 CB LYS A 26 179.790 11.187 -5.706 1.00 0.00 C ATOM 411 CG LYS A 26 179.618 11.346 -4.200 1.00 0.00 C ATOM 412 CD LYS A 26 180.725 12.204 -3.604 1.00 0.00 C ATOM 413 CE LYS A 26 180.197 13.133 -2.523 1.00 0.00 C ATOM 414 NZ LYS A 26 180.778 12.816 -1.188 1.00 0.00 N ATOM 0 H LYS A 26 178.996 8.896 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 26 181.283 10.369 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 26 180.159 12.126 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 26 178.813 11.005 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.650 11.800 -3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 26 179.621 10.364 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 26 181.498 11.560 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 26 181.193 12.793 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 26 180.430 14.165 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 26 179.111 13.054 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 180.220 13.285 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 180.759 11.787 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 181.761 13.154 -1.148 1.00 0.00 H new ATOM 428 N LEU A 27 181.463 8.821 -4.157 1.00 0.00 N ATOM 429 CA LEU A 27 182.357 8.466 -3.060 1.00 0.00 C ATOM 430 C LEU A 27 183.696 7.957 -3.586 1.00 0.00 C ATOM 431 O LEU A 27 184.727 8.099 -2.930 1.00 0.00 O ATOM 432 CB LEU A 27 181.711 7.403 -2.171 1.00 0.00 C ATOM 433 CG LEU A 27 182.403 7.175 -0.827 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.431 6.580 0.179 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.620 6.274 -0.996 1.00 0.00 C ATOM 0 H LEU A 27 180.603 8.274 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 27 182.538 9.365 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.675 7.687 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 27 181.690 6.459 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 27 182.742 8.139 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.941 6.425 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.594 7.263 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.060 5.625 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.099 6.124 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.307 5.311 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.327 6.742 -1.682 1.00 0.00 H new ATOM 447 N GLU A 28 183.672 7.362 -4.774 1.00 0.00 N ATOM 448 CA GLU A 28 184.883 6.825 -5.385 1.00 0.00 C ATOM 449 C GLU A 28 185.994 7.874 -5.438 1.00 0.00 C ATOM 450 O GLU A 28 187.175 7.535 -5.515 1.00 0.00 O ATOM 451 CB GLU A 28 184.580 6.316 -6.796 1.00 0.00 C ATOM 452 CG GLU A 28 185.249 4.990 -7.121 1.00 0.00 C ATOM 453 CD GLU A 28 186.422 5.144 -8.069 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.315 5.947 -9.020 1.00 0.00 O ATOM 455 OE2 GLU A 28 187.448 4.464 -7.860 1.00 0.00 O ATOM 0 H GLU A 28 182.828 7.239 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 28 185.229 5.996 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.501 6.207 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.903 7.064 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.592 4.525 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 184.515 4.316 -7.564 1.00 0.00 H new ATOM 462 N LYS A 29 185.611 9.147 -5.405 1.00 0.00 N ATOM 463 CA LYS A 29 186.581 10.236 -5.456 1.00 0.00 C ATOM 464 C LYS A 29 186.920 10.749 -4.057 1.00 0.00 C ATOM 465 O LYS A 29 187.101 11.949 -3.857 1.00 0.00 O ATOM 466 CB LYS A 29 186.043 11.383 -6.315 1.00 0.00 C ATOM 467 CG LYS A 29 187.131 12.163 -7.036 1.00 0.00 C ATOM 468 CD LYS A 29 187.290 13.564 -6.465 1.00 0.00 C ATOM 469 CE LYS A 29 187.546 14.586 -7.559 1.00 0.00 C ATOM 470 NZ LYS A 29 188.226 15.802 -7.035 1.00 0.00 N ATOM 0 H LYS A 29 184.639 9.449 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 29 187.495 9.846 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.348 10.980 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.476 12.066 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 29 188.077 11.628 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 186.890 12.227 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 186.390 13.837 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 188.116 13.576 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 29 188.159 14.136 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 186.600 14.869 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 188.383 16.475 -7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 187.630 16.247 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 189.141 15.536 -6.618 1.00 0.00 H new ATOM 484 N TRP A 30 187.015 9.836 -3.095 1.00 0.00 N ATOM 485 CA TRP A 30 187.343 10.209 -1.722 1.00 0.00 C ATOM 486 C TRP A 30 188.831 10.019 -1.445 1.00 0.00 C ATOM 487 O TRP A 30 189.234 9.742 -0.317 1.00 0.00 O ATOM 488 CB TRP A 30 186.517 9.388 -0.728 1.00 0.00 C ATOM 489 CG TRP A 30 185.444 10.181 -0.048 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.233 10.532 -0.569 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.484 10.723 1.277 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.515 11.257 0.352 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.262 11.387 1.494 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.434 10.709 2.304 1.00 0.00 C ATOM 495 CZ2 TRP A 30 183.965 12.030 2.691 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.137 11.349 3.493 1.00 0.00 C ATOM 497 CH2 TRP A 30 184.911 12.001 3.678 1.00 0.00 C ATOM 0 H TRP A 30 186.870 8.837 -3.239 1.00 0.00 H new ATOM 0 HA TRP A 30 187.100 11.264 -1.596 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.061 8.548 -1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.182 8.969 0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.889 10.277 -1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.579 11.636 0.209 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.381 10.208 2.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.021 12.534 2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 186.863 11.346 4.293 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.709 12.491 4.619 1.00 0.00 H new ATOM 508 N GLN A 31 189.646 10.161 -2.486 1.00 0.00 N ATOM 509 CA GLN A 31 191.095 10.009 -2.363 1.00 0.00 C ATOM 510 C GLN A 31 191.485 8.743 -1.593 1.00 0.00 C ATOM 511 O GLN A 31 192.627 8.612 -1.150 1.00 0.00 O ATOM 512 CB GLN A 31 191.694 11.234 -1.668 1.00 0.00 C ATOM 513 CG GLN A 31 191.576 12.512 -2.483 1.00 0.00 C ATOM 514 CD GLN A 31 192.922 13.036 -2.946 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.287 14.177 -2.666 1.00 0.00 O ATOM 516 NE2 GLN A 31 193.665 12.201 -3.663 1.00 0.00 N ATOM 0 H GLN A 31 189.327 10.382 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 31 191.495 9.919 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.197 11.377 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.746 11.043 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 31 190.944 12.327 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 31 191.080 13.276 -1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 31 193.322 11.263 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 31 194.579 12.497 -4.006 1.00 0.00 H new ATOM 525 N THR A 32 190.547 7.812 -1.434 1.00 0.00 N ATOM 526 CA THR A 32 190.830 6.574 -0.718 1.00 0.00 C ATOM 527 C THR A 32 191.462 5.539 -1.654 1.00 0.00 C ATOM 528 O THR A 32 192.674 5.555 -1.859 1.00 0.00 O ATOM 529 CB THR A 32 189.559 6.020 -0.066 1.00 0.00 C ATOM 530 OG1 THR A 32 188.969 6.988 0.781 1.00 0.00 O ATOM 531 CG2 THR A 32 189.812 4.779 0.763 1.00 0.00 C ATOM 0 H THR A 32 189.594 7.891 -1.788 1.00 0.00 H new ATOM 0 HA THR A 32 191.546 6.794 0.074 1.00 0.00 H new ATOM 0 HB THR A 32 188.895 5.761 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.201 7.886 0.464 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.874 4.435 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 32 190.226 3.996 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.518 5.012 1.560 1.00 0.00 H new ATOM 539 N HIS A 33 190.639 4.647 -2.223 1.00 0.00 N ATOM 540 CA HIS A 33 191.121 3.608 -3.141 1.00 0.00 C ATOM 541 C HIS A 33 190.145 2.432 -3.208 1.00 0.00 C ATOM 542 O HIS A 33 190.203 1.632 -4.142 1.00 0.00 O ATOM 543 CB HIS A 33 192.503 3.095 -2.721 1.00 0.00 C ATOM 544 CG HIS A 33 193.619 3.646 -3.551 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.683 3.500 -4.921 1.00 0.00 N ATOM 546 CD2 HIS A 33 194.719 4.352 -3.199 1.00 0.00 C ATOM 547 CE1 HIS A 33 194.773 4.092 -5.376 1.00 0.00 C ATOM 548 NE2 HIS A 33 195.420 4.618 -4.351 1.00 0.00 N ATOM 0 H HIS A 33 189.632 4.625 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 33 191.196 4.064 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.676 3.353 -1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.514 2.007 -2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 33 194.995 4.651 -2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.082 4.138 -6.410 1.00 0.00 H new ATOM 0 HE2 HIS A 33 196.297 5.137 -4.406 1.00 0.00 H new ATOM 557 N LEU A 34 189.264 2.333 -2.205 1.00 0.00 N ATOM 558 CA LEU A 34 188.265 1.256 -2.117 1.00 0.00 C ATOM 559 C LEU A 34 188.094 0.512 -3.439 1.00 0.00 C ATOM 560 O LEU A 34 187.826 1.121 -4.474 1.00 0.00 O ATOM 561 CB LEU A 34 186.914 1.824 -1.673 1.00 0.00 C ATOM 562 CG LEU A 34 186.982 2.949 -0.634 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.787 3.874 -0.768 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.063 2.373 0.771 1.00 0.00 C ATOM 0 H LEU A 34 189.222 2.996 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 34 188.631 0.542 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.389 2.196 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.314 1.011 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 34 187.885 3.532 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.854 4.666 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.778 4.315 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 34 184.869 3.307 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 34 187.111 3.186 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 34 186.180 1.764 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 34 187.957 1.755 0.860 1.00 0.00 H new ATOM 576 N ILE A 35 188.257 -0.806 -3.397 1.00 0.00 N ATOM 577 CA ILE A 35 188.124 -1.629 -4.595 1.00 0.00 C ATOM 578 C ILE A 35 186.904 -2.540 -4.517 1.00 0.00 C ATOM 579 O ILE A 35 186.157 -2.672 -5.486 1.00 0.00 O ATOM 580 CB ILE A 35 189.378 -2.495 -4.830 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.648 -1.692 -4.540 1.00 0.00 C ATOM 582 CG2 ILE A 35 189.394 -3.025 -6.257 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.904 -2.535 -4.527 1.00 0.00 C ATOM 0 H ILE A 35 188.481 -1.327 -2.549 1.00 0.00 H new ATOM 0 HA ILE A 35 188.003 -0.938 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 35 189.347 -3.343 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.753 -0.909 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.543 -1.196 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.285 -3.635 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 188.505 -3.632 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 35 189.403 -2.188 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.765 -1.901 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.820 -3.302 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.033 -3.010 -5.499 1.00 0.00 H new ATOM 595 N ASN A 36 186.712 -3.174 -3.363 1.00 0.00 N ATOM 596 CA ASN A 36 185.584 -4.082 -3.169 1.00 0.00 C ATOM 597 C ASN A 36 184.567 -3.506 -2.185 1.00 0.00 C ATOM 598 O ASN A 36 184.654 -3.743 -0.981 1.00 0.00 O ATOM 599 CB ASN A 36 186.082 -5.438 -2.663 1.00 0.00 C ATOM 600 CG ASN A 36 185.178 -6.580 -3.081 1.00 0.00 C ATOM 601 OD1 ASN A 36 184.344 -6.433 -3.974 1.00 0.00 O ATOM 602 ND2 ASN A 36 185.336 -7.729 -2.434 1.00 0.00 N ATOM 0 H ASN A 36 187.321 -3.077 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 36 185.090 -4.211 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.088 -5.617 -3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.152 -5.413 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 36 184.754 -8.532 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.040 -7.808 -1.700 1.00 0.00 H new ATOM 609 N PRO A 37 183.582 -2.741 -2.689 1.00 0.00 N ATOM 610 CA PRO A 37 182.547 -2.136 -1.855 1.00 0.00 C ATOM 611 C PRO A 37 181.377 -3.081 -1.608 1.00 0.00 C ATOM 612 O PRO A 37 180.463 -3.180 -2.428 1.00 0.00 O ATOM 613 CB PRO A 37 182.102 -0.945 -2.694 1.00 0.00 C ATOM 614 CG PRO A 37 182.272 -1.396 -4.106 1.00 0.00 C ATOM 615 CD PRO A 37 183.397 -2.405 -4.112 1.00 0.00 C ATOM 0 HA PRO A 37 182.911 -1.875 -0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.066 -0.678 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.707 -0.063 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.351 -1.842 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.506 -0.552 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.140 -3.286 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.306 -1.987 -4.545 1.00 0.00 H new ATOM 623 N HIS A 38 181.407 -3.775 -0.476 1.00 0.00 N ATOM 624 CA HIS A 38 180.345 -4.709 -0.127 1.00 0.00 C ATOM 625 C HIS A 38 179.128 -3.969 0.416 1.00 0.00 C ATOM 626 O HIS A 38 179.262 -2.989 1.147 1.00 0.00 O ATOM 627 CB HIS A 38 180.846 -5.726 0.900 1.00 0.00 C ATOM 628 CG HIS A 38 180.951 -7.119 0.364 1.00 0.00 C ATOM 629 ND1 HIS A 38 179.996 -7.970 -0.080 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 182.149 -7.788 0.233 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 180.630 -9.125 -0.467 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 181.928 -8.989 -0.269 1.00 0.00 N flip ATOM 0 H HIS A 38 182.155 -3.708 0.215 1.00 0.00 H new ATOM 0 HA HIS A 38 180.049 -5.239 -1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.824 -5.411 1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.173 -5.726 1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 38 183.118 -7.392 0.499 1.00 0.00 H new ATOM 0 HE1 HIS A 38 180.145 -10.003 -0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 38 182.639 -9.692 -0.470 1.00 0.00 H new ATOM 641 N ILE A 39 177.942 -4.445 0.049 1.00 0.00 N ATOM 642 CA ILE A 39 176.700 -3.828 0.497 1.00 0.00 C ATOM 643 C ILE A 39 175.644 -4.891 0.800 1.00 0.00 C ATOM 644 O ILE A 39 174.993 -5.410 -0.108 1.00 0.00 O ATOM 645 CB ILE A 39 176.151 -2.843 -0.564 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.078 -1.627 -0.689 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.727 -2.412 -0.225 1.00 0.00 C ATOM 648 CD1 ILE A 39 176.743 -0.489 0.255 1.00 0.00 C ATOM 0 H ILE A 39 177.816 -5.256 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 39 176.922 -3.274 1.409 1.00 0.00 H new ATOM 0 HB ILE A 39 176.121 -3.354 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.104 -1.946 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.038 -1.258 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.365 -1.720 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.079 -3.288 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 39 174.718 -1.919 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 39 177.446 0.330 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 39 175.730 -0.139 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 39 176.812 -0.838 1.285 1.00 0.00 H new ATOM 660 N ILE A 40 175.479 -5.206 2.079 1.00 0.00 N ATOM 661 CA ILE A 40 174.503 -6.201 2.503 1.00 0.00 C ATOM 662 C ILE A 40 173.221 -5.529 2.986 1.00 0.00 C ATOM 663 O ILE A 40 173.207 -4.885 4.034 1.00 0.00 O ATOM 664 CB ILE A 40 175.066 -7.096 3.629 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.368 -7.760 3.176 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.044 -8.148 4.040 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.378 -7.930 4.290 1.00 0.00 C ATOM 0 H ILE A 40 176.010 -4.785 2.842 1.00 0.00 H new ATOM 0 HA ILE A 40 174.280 -6.825 1.638 1.00 0.00 H new ATOM 0 HB ILE A 40 175.278 -6.470 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.139 -8.737 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.813 -7.163 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.460 -8.768 4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.140 -7.656 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.800 -8.773 3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.276 -8.407 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.635 -6.953 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.951 -8.552 5.076 1.00 0.00 H new ATOM 679 N LEU A 41 172.147 -5.674 2.214 1.00 0.00 N ATOM 680 CA LEU A 41 170.868 -5.068 2.568 1.00 0.00 C ATOM 681 C LEU A 41 169.849 -6.128 2.979 1.00 0.00 C ATOM 682 O LEU A 41 169.237 -6.776 2.129 1.00 0.00 O ATOM 683 CB LEU A 41 170.333 -4.250 1.390 1.00 0.00 C ATOM 684 CG LEU A 41 168.900 -3.729 1.544 1.00 0.00 C ATOM 685 CD1 LEU A 41 168.903 -2.249 1.894 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.105 -3.977 0.269 1.00 0.00 C ATOM 0 H LEU A 41 172.137 -6.204 1.343 1.00 0.00 H new ATOM 0 HA LEU A 41 171.029 -4.408 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 41 170.995 -3.399 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.383 -4.865 0.491 1.00 0.00 H new ATOM 0 HG LEU A 41 168.422 -4.271 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 41 167.876 -1.898 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.436 -2.098 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.399 -1.689 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.090 -3.601 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.583 -3.461 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.073 -5.047 0.062 1.00 0.00 H new ATOM 698 N SER A 42 169.672 -6.297 4.284 1.00 0.00 N ATOM 699 CA SER A 42 168.724 -7.275 4.804 1.00 0.00 C ATOM 700 C SER A 42 167.557 -6.582 5.501 1.00 0.00 C ATOM 701 O SER A 42 167.753 -5.647 6.276 1.00 0.00 O ATOM 702 CB SER A 42 169.426 -8.224 5.778 1.00 0.00 C ATOM 703 OG SER A 42 170.538 -8.853 5.162 1.00 0.00 O ATOM 0 H SER A 42 170.172 -5.770 5.001 1.00 0.00 H new ATOM 0 HA SER A 42 168.332 -7.850 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.758 -7.670 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.722 -8.980 6.125 1.00 0.00 H new ATOM 0 HG SER A 42 171.220 -9.046 5.838 1.00 0.00 H new ATOM 709 N LYS A 43 166.342 -7.047 5.223 1.00 0.00 N ATOM 710 CA LYS A 43 165.149 -6.464 5.832 1.00 0.00 C ATOM 711 C LYS A 43 164.984 -6.949 7.267 1.00 0.00 C ATOM 712 O LYS A 43 164.695 -8.121 7.508 1.00 0.00 O ATOM 713 CB LYS A 43 163.900 -6.811 5.016 1.00 0.00 C ATOM 714 CG LYS A 43 162.696 -5.948 5.356 1.00 0.00 C ATOM 715 CD LYS A 43 161.395 -6.600 4.913 1.00 0.00 C ATOM 716 CE LYS A 43 160.581 -7.090 6.102 1.00 0.00 C ATOM 717 NZ LYS A 43 159.167 -7.368 5.730 1.00 0.00 N ATOM 0 H LYS A 43 166.158 -7.821 4.584 1.00 0.00 H new ATOM 0 HA LYS A 43 165.272 -5.381 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.127 -6.703 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.646 -7.858 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.667 -5.771 6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.798 -4.975 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 43 160.806 -5.885 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.614 -7.438 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.035 -7.995 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.608 -6.341 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 158.647 -7.699 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 158.725 -6.498 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.140 -8.101 4.993 1.00 0.00 H new ATOM 731 N GLU A 44 165.175 -6.041 8.218 1.00 0.00 N ATOM 732 CA GLU A 44 165.053 -6.379 9.630 1.00 0.00 C ATOM 733 C GLU A 44 163.742 -5.857 10.211 1.00 0.00 C ATOM 734 O GLU A 44 163.316 -4.743 9.903 1.00 0.00 O ATOM 735 CB GLU A 44 166.235 -5.804 10.414 1.00 0.00 C ATOM 736 CG GLU A 44 166.944 -6.829 11.283 1.00 0.00 C ATOM 737 CD GLU A 44 167.361 -8.065 10.508 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.421 -7.992 9.262 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.627 -9.104 11.147 1.00 0.00 O ATOM 0 H GLU A 44 165.415 -5.066 8.036 1.00 0.00 H new ATOM 0 HA GLU A 44 165.056 -7.466 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.952 -5.376 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.880 -4.989 11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.826 -6.371 11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.286 -7.123 12.101 1.00 0.00 H new ATOM 746 N PRO A 45 163.083 -6.663 11.066 1.00 0.00 N ATOM 747 CA PRO A 45 161.820 -6.304 11.703 1.00 0.00 C ATOM 748 C PRO A 45 161.729 -4.825 12.065 1.00 0.00 C ATOM 749 O PRO A 45 160.732 -4.163 11.778 1.00 0.00 O ATOM 750 CB PRO A 45 161.816 -7.143 12.988 1.00 0.00 C ATOM 751 CG PRO A 45 162.874 -8.195 12.826 1.00 0.00 C ATOM 752 CD PRO A 45 163.518 -8.002 11.476 1.00 0.00 C ATOM 0 HA PRO A 45 160.979 -6.489 11.035 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.022 -6.519 13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.839 -7.599 13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.618 -8.113 13.619 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.437 -9.191 12.901 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.604 -8.068 11.538 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.193 -8.763 10.766 1.00 0.00 H new ATOM 760 N GLN A 46 162.766 -4.322 12.724 1.00 0.00 N ATOM 761 CA GLN A 46 162.795 -2.932 13.159 1.00 0.00 C ATOM 762 C GLN A 46 163.642 -2.052 12.240 1.00 0.00 C ATOM 763 O GLN A 46 164.355 -1.165 12.708 1.00 0.00 O ATOM 764 CB GLN A 46 163.324 -2.856 14.590 1.00 0.00 C ATOM 765 CG GLN A 46 162.680 -1.759 15.423 1.00 0.00 C ATOM 766 CD GLN A 46 161.835 -2.306 16.558 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.015 -1.933 17.718 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.907 -3.198 16.228 1.00 0.00 N ATOM 0 H GLN A 46 163.599 -4.857 12.969 1.00 0.00 H new ATOM 0 HA GLN A 46 161.775 -2.551 13.116 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.160 -3.816 15.080 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.401 -2.693 14.561 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.458 -1.115 15.833 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.058 -1.137 14.779 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.793 -3.478 15.254 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.309 -3.602 16.949 1.00 0.00 H new ATOM 777 N GLY A 47 163.547 -2.281 10.932 1.00 0.00 N ATOM 778 CA GLY A 47 164.302 -1.469 9.990 1.00 0.00 C ATOM 779 C GLY A 47 165.209 -2.274 9.078 1.00 0.00 C ATOM 780 O GLY A 47 165.328 -3.491 9.211 1.00 0.00 O ATOM 0 H GLY A 47 162.967 -3.006 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.605 -0.895 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.905 -0.751 10.545 1.00 0.00 H new ATOM 784 N PHE A 48 165.852 -1.574 8.145 1.00 0.00 N ATOM 785 CA PHE A 48 166.763 -2.198 7.190 1.00 0.00 C ATOM 786 C PHE A 48 168.154 -2.363 7.789 1.00 0.00 C ATOM 787 O PHE A 48 168.621 -1.502 8.536 1.00 0.00 O ATOM 788 CB PHE A 48 166.868 -1.340 5.925 1.00 0.00 C ATOM 789 CG PHE A 48 165.917 -1.730 4.832 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.668 -3.063 4.544 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.275 -0.756 4.085 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.795 -3.416 3.534 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.402 -1.102 3.074 1.00 0.00 C ATOM 794 CZ PHE A 48 164.161 -2.435 2.797 1.00 0.00 C ATOM 0 H PHE A 48 165.757 -0.565 8.031 1.00 0.00 H new ATOM 0 HA PHE A 48 166.363 -3.181 6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.689 -0.298 6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.887 -1.401 5.543 1.00 0.00 H new ATOM 0 HD1 PHE A 48 166.162 -3.834 5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.460 0.287 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 48 164.608 -4.458 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.908 -0.332 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.478 -2.709 2.006 1.00 0.00 H new ATOM 804 N VAL A 49 168.810 -3.469 7.446 1.00 0.00 N ATOM 805 CA VAL A 49 170.155 -3.747 7.936 1.00 0.00 C ATOM 806 C VAL A 49 171.173 -3.643 6.800 1.00 0.00 C ATOM 807 O VAL A 49 171.692 -4.654 6.322 1.00 0.00 O ATOM 808 CB VAL A 49 170.244 -5.152 8.575 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.684 -5.503 8.927 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.360 -5.230 9.809 1.00 0.00 C ATOM 0 H VAL A 49 168.430 -4.187 6.830 1.00 0.00 H new ATOM 0 HA VAL A 49 170.383 -3.002 8.699 1.00 0.00 H new ATOM 0 HB VAL A 49 169.889 -5.879 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.717 -6.496 9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.293 -5.492 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.074 -4.772 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.434 -6.225 10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.686 -4.488 10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.325 -5.033 9.528 1.00 0.00 H new ATOM 820 N ALA A 50 171.451 -2.416 6.372 1.00 0.00 N ATOM 821 CA ALA A 50 172.405 -2.184 5.294 1.00 0.00 C ATOM 822 C ALA A 50 173.838 -2.297 5.803 1.00 0.00 C ATOM 823 O ALA A 50 174.504 -1.291 6.040 1.00 0.00 O ATOM 824 CB ALA A 50 172.173 -0.818 4.665 1.00 0.00 C ATOM 0 H ALA A 50 171.030 -1.569 6.754 1.00 0.00 H new ATOM 0 HA ALA A 50 172.252 -2.950 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.893 -0.660 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.162 -0.771 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.297 -0.043 5.422 1.00 0.00 H new ATOM 830 N ASP A 51 174.306 -3.531 5.968 1.00 0.00 N ATOM 831 CA ASP A 51 175.660 -3.771 6.450 1.00 0.00 C ATOM 832 C ASP A 51 176.652 -3.791 5.294 1.00 0.00 C ATOM 833 O ASP A 51 176.843 -4.817 4.641 1.00 0.00 O ATOM 834 CB ASP A 51 175.724 -5.095 7.218 1.00 0.00 C ATOM 835 CG ASP A 51 175.506 -4.910 8.707 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.897 -3.849 9.237 1.00 0.00 O ATOM 837 OD2 ASP A 51 174.943 -5.825 9.343 1.00 0.00 O ATOM 0 H ASP A 51 173.769 -4.376 5.775 1.00 0.00 H new ATOM 0 HA ASP A 51 175.930 -2.957 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.970 -5.777 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.694 -5.562 7.051 1.00 0.00 H new ATOM 842 N ALA A 52 177.279 -2.648 5.043 1.00 0.00 N ATOM 843 CA ALA A 52 178.250 -2.529 3.963 1.00 0.00 C ATOM 844 C ALA A 52 179.678 -2.577 4.496 1.00 0.00 C ATOM 845 O ALA A 52 179.918 -2.340 5.680 1.00 0.00 O ATOM 846 CB ALA A 52 178.018 -1.242 3.187 1.00 0.00 C ATOM 0 H ALA A 52 177.132 -1.789 5.574 1.00 0.00 H new ATOM 0 HA ALA A 52 178.114 -3.377 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.750 -1.165 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.013 -1.248 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.124 -0.389 3.857 1.00 0.00 H new ATOM 852 N THR A 53 180.621 -2.879 3.612 1.00 0.00 N ATOM 853 CA THR A 53 182.028 -2.954 3.986 1.00 0.00 C ATOM 854 C THR A 53 182.917 -2.756 2.763 1.00 0.00 C ATOM 855 O THR A 53 182.878 -3.546 1.821 1.00 0.00 O ATOM 856 CB THR A 53 182.336 -4.299 4.647 1.00 0.00 C ATOM 857 OG1 THR A 53 183.735 -4.510 4.724 1.00 0.00 O ATOM 858 CG2 THR A 53 181.736 -5.479 3.916 1.00 0.00 C ATOM 0 H THR A 53 180.436 -3.076 2.629 1.00 0.00 H new ATOM 0 HA THR A 53 182.234 -2.158 4.701 1.00 0.00 H new ATOM 0 HB THR A 53 181.888 -4.241 5.639 1.00 0.00 H new ATOM 0 HG1 THR A 53 183.912 -5.374 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 53 181.994 -6.400 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 53 180.652 -5.372 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.130 -5.516 2.900 1.00 0.00 H new ATOM 866 N ILE A 54 183.715 -1.693 2.781 1.00 0.00 N ATOM 867 CA ILE A 54 184.608 -1.390 1.667 1.00 0.00 C ATOM 868 C ILE A 54 186.047 -1.772 2.004 1.00 0.00 C ATOM 869 O ILE A 54 186.494 -1.609 3.138 1.00 0.00 O ATOM 870 CB ILE A 54 184.561 0.105 1.265 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.546 0.875 2.119 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.218 0.243 -0.212 1.00 0.00 C ATOM 873 CD1 ILE A 54 183.410 2.331 1.732 1.00 0.00 C ATOM 0 H ILE A 54 183.762 -1.028 3.553 1.00 0.00 H new ATOM 0 HA ILE A 54 184.257 -1.982 0.822 1.00 0.00 H new ATOM 0 HB ILE A 54 185.547 0.534 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.572 0.393 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 54 183.843 0.812 3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.188 1.299 -0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 54 184.976 -0.263 -0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.244 -0.208 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 54 182.676 2.812 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 54 184.373 2.829 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 54 183.083 2.403 0.695 1.00 0.00 H new ATOM 885 N ASN A 55 186.763 -2.291 1.010 1.00 0.00 N ATOM 886 CA ASN A 55 188.148 -2.708 1.204 1.00 0.00 C ATOM 887 C ASN A 55 189.127 -1.646 0.707 1.00 0.00 C ATOM 888 O ASN A 55 189.472 -1.610 -0.473 1.00 0.00 O ATOM 889 CB ASN A 55 188.407 -4.029 0.478 1.00 0.00 C ATOM 890 CG ASN A 55 189.661 -4.722 0.971 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.711 -5.002 2.269 1.00 0.00 O flip ATOM 892 ND2 ASN A 55 190.575 -5.006 0.197 1.00 0.00 N flip ATOM 0 H ASN A 55 186.408 -2.432 0.064 1.00 0.00 H new ATOM 0 HA ASN A 55 188.307 -2.842 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.551 -4.690 0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.496 -3.841 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.496 -4.773 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 55 191.411 -5.474 0.545 1.00 0.00 H new ATOM 899 N THR A 56 189.575 -0.787 1.620 1.00 0.00 N ATOM 900 CA THR A 56 190.521 0.272 1.278 1.00 0.00 C ATOM 901 C THR A 56 191.956 -0.207 1.510 1.00 0.00 C ATOM 902 O THR A 56 192.177 -1.201 2.204 1.00 0.00 O ATOM 903 CB THR A 56 190.247 1.551 2.094 1.00 0.00 C ATOM 904 OG1 THR A 56 191.320 1.833 2.975 1.00 0.00 O ATOM 905 CG2 THR A 56 188.982 1.494 2.929 1.00 0.00 C ATOM 0 H THR A 56 189.298 -0.804 2.602 1.00 0.00 H new ATOM 0 HA THR A 56 190.392 0.512 0.223 1.00 0.00 H new ATOM 0 HB THR A 56 190.129 2.332 1.343 1.00 0.00 H new ATOM 0 HG1 THR A 56 191.688 2.718 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.862 2.431 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.122 1.340 2.277 1.00 0.00 H new ATOM 0 HG23 THR A 56 189.051 0.670 3.639 1.00 0.00 H new ATOM 913 N PRO A 57 192.951 0.491 0.940 1.00 0.00 N ATOM 914 CA PRO A 57 194.361 0.122 1.101 1.00 0.00 C ATOM 915 C PRO A 57 194.852 0.334 2.529 1.00 0.00 C ATOM 916 O PRO A 57 195.806 -0.306 2.972 1.00 0.00 O ATOM 917 CB PRO A 57 195.090 1.061 0.137 1.00 0.00 C ATOM 918 CG PRO A 57 194.184 2.235 -0.002 1.00 0.00 C ATOM 919 CD PRO A 57 192.786 1.692 0.102 1.00 0.00 C ATOM 0 HA PRO A 57 194.533 -0.934 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 57 196.063 1.356 0.530 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.267 0.581 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 57 194.376 2.971 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 57 194.338 2.736 -0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 57 192.108 2.412 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.376 1.446 -0.878 1.00 0.00 H new ATOM 927 N ASN A 58 194.191 1.238 3.245 1.00 0.00 N ATOM 928 CA ASN A 58 194.552 1.538 4.625 1.00 0.00 C ATOM 929 C ASN A 58 193.635 0.807 5.603 1.00 0.00 C ATOM 930 O ASN A 58 193.503 1.208 6.760 1.00 0.00 O ATOM 931 CB ASN A 58 194.482 3.047 4.870 1.00 0.00 C ATOM 932 CG ASN A 58 195.276 3.835 3.847 1.00 0.00 C ATOM 933 OD1 ASN A 58 194.626 4.206 2.752 1.00 0.00 O flip ATOM 934 ND2 ASN A 58 196.462 4.105 4.040 1.00 0.00 N flip ATOM 0 H ASN A 58 193.401 1.777 2.891 1.00 0.00 H new ATOM 0 HA ASN A 58 195.573 1.194 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.441 3.369 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.860 3.268 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.922 3.799 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 58 196.985 4.635 3.342 1.00 0.00 H new ATOM 941 N GLY A 59 193.002 -0.266 5.133 1.00 0.00 N ATOM 942 CA GLY A 59 192.106 -1.031 5.981 1.00 0.00 C ATOM 943 C GLY A 59 190.748 -1.253 5.341 1.00 0.00 C ATOM 944 O GLY A 59 190.584 -1.063 4.137 1.00 0.00 O ATOM 0 H GLY A 59 193.094 -0.618 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.560 -1.996 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.976 -0.510 6.930 1.00 0.00 H new ATOM 948 N VAL A 60 189.773 -1.657 6.151 1.00 0.00 N ATOM 949 CA VAL A 60 188.422 -1.907 5.657 1.00 0.00 C ATOM 950 C VAL A 60 187.402 -1.029 6.376 1.00 0.00 C ATOM 951 O VAL A 60 187.339 -1.012 7.605 1.00 0.00 O ATOM 952 CB VAL A 60 188.022 -3.384 5.839 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.731 -3.683 5.093 1.00 0.00 C ATOM 954 CG2 VAL A 60 189.141 -4.305 5.372 1.00 0.00 C ATOM 0 H VAL A 60 189.893 -1.818 7.151 1.00 0.00 H new ATOM 0 HA VAL A 60 188.425 -1.664 4.594 1.00 0.00 H new ATOM 0 HB VAL A 60 187.853 -3.566 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.464 -4.731 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.932 -3.050 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.870 -3.483 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.839 -5.343 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.346 -4.123 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 60 190.041 -4.109 5.955 1.00 0.00 H new ATOM 964 N LEU A 61 186.603 -0.301 5.601 1.00 0.00 N ATOM 965 CA LEU A 61 185.585 0.578 6.163 1.00 0.00 C ATOM 966 C LEU A 61 184.215 -0.095 6.150 1.00 0.00 C ATOM 967 O LEU A 61 183.678 -0.411 5.087 1.00 0.00 O ATOM 968 CB LEU A 61 185.525 1.891 5.381 1.00 0.00 C ATOM 969 CG LEU A 61 185.191 3.126 6.219 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.180 3.277 7.364 1.00 0.00 C ATOM 971 CD2 LEU A 61 185.184 4.373 5.347 1.00 0.00 C ATOM 0 H LEU A 61 186.642 -0.303 4.582 1.00 0.00 H new ATOM 0 HA LEU A 61 185.857 0.790 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 61 186.487 2.050 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.779 1.793 4.592 1.00 0.00 H new ATOM 0 HG LEU A 61 184.195 2.998 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 61 185.927 4.161 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.136 2.394 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 61 187.188 3.384 6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 61 184.945 5.243 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 61 186.167 4.506 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 184.435 4.264 4.562 1.00 0.00 H new ATOM 983 N VAL A 62 183.655 -0.314 7.336 1.00 0.00 N ATOM 984 CA VAL A 62 182.349 -0.952 7.461 1.00 0.00 C ATOM 985 C VAL A 62 181.230 0.085 7.514 1.00 0.00 C ATOM 986 O VAL A 62 181.154 0.883 8.448 1.00 0.00 O ATOM 987 CB VAL A 62 182.276 -1.838 8.721 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.912 -2.505 8.833 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.385 -2.879 8.702 1.00 0.00 C ATOM 0 H VAL A 62 184.086 -0.059 8.225 1.00 0.00 H new ATOM 0 HA VAL A 62 182.217 -1.577 6.578 1.00 0.00 H new ATOM 0 HB VAL A 62 182.414 -1.204 9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.883 -3.125 9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.137 -1.741 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.738 -3.127 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.320 -3.496 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.278 -3.509 7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.353 -2.379 8.676 1.00 0.00 H new ATOM 999 N ALA A 63 180.364 0.067 6.505 1.00 0.00 N ATOM 1000 CA ALA A 63 179.251 1.004 6.434 1.00 0.00 C ATOM 1001 C ALA A 63 177.985 0.401 7.037 1.00 0.00 C ATOM 1002 O ALA A 63 177.369 -0.486 6.449 1.00 0.00 O ATOM 1003 CB ALA A 63 179.005 1.414 4.991 1.00 0.00 C ATOM 0 H ALA A 63 180.413 -0.588 5.725 1.00 0.00 H new ATOM 0 HA ALA A 63 179.512 1.888 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.171 2.115 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.900 1.891 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.768 0.531 4.397 1.00 0.00 H new ATOM 1009 N SER A 64 177.600 0.887 8.211 1.00 0.00 N ATOM 1010 CA SER A 64 176.408 0.389 8.887 1.00 0.00 C ATOM 1011 C SER A 64 175.196 1.264 8.579 1.00 0.00 C ATOM 1012 O SER A 64 175.107 2.401 9.044 1.00 0.00 O ATOM 1013 CB SER A 64 176.638 0.331 10.398 1.00 0.00 C ATOM 1014 OG SER A 64 178.000 0.089 10.698 1.00 0.00 O ATOM 0 H SER A 64 178.095 1.624 8.714 1.00 0.00 H new ATOM 0 HA SER A 64 176.209 -0.617 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.324 1.270 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.021 -0.456 10.833 1.00 0.00 H new ATOM 0 HG SER A 64 178.120 0.058 11.670 1.00 0.00 H new ATOM 1020 N GLY A 65 174.266 0.724 7.797 1.00 0.00 N ATOM 1021 CA GLY A 65 173.069 1.468 7.443 1.00 0.00 C ATOM 1022 C GLY A 65 171.814 0.852 8.029 1.00 0.00 C ATOM 1023 O GLY A 65 171.143 0.052 7.378 1.00 0.00 O ATOM 0 H GLY A 65 174.319 -0.215 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.165 2.495 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.978 1.510 6.358 1.00 0.00 H new ATOM 1027 N LYS A 66 171.499 1.219 9.268 1.00 0.00 N ATOM 1028 CA LYS A 66 170.320 0.690 9.945 1.00 0.00 C ATOM 1029 C LYS A 66 169.258 1.769 10.133 1.00 0.00 C ATOM 1030 O LYS A 66 169.527 2.820 10.713 1.00 0.00 O ATOM 1031 CB LYS A 66 170.710 0.107 11.302 1.00 0.00 C ATOM 1032 CG LYS A 66 171.408 1.105 12.213 1.00 0.00 C ATOM 1033 CD LYS A 66 170.735 1.186 13.574 1.00 0.00 C ATOM 1034 CE LYS A 66 171.088 -0.011 14.441 1.00 0.00 C ATOM 1035 NZ LYS A 66 170.238 -1.194 14.127 1.00 0.00 N ATOM 0 H LYS A 66 172.043 1.880 9.823 1.00 0.00 H new ATOM 0 HA LYS A 66 169.900 -0.097 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.814 -0.263 11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.365 -0.750 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 66 172.451 0.816 12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 66 171.404 2.090 11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.039 2.104 14.077 1.00 0.00 H new ATOM 0 HD3 LYS A 66 169.654 1.237 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.137 -0.269 14.295 1.00 0.00 H new ATOM 0 HE3 LYS A 66 170.968 0.254 15.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 170.217 -1.834 14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 169.271 -0.879 13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 170.632 -1.696 13.306 1.00 0.00 H new ATOM 1049 N HIS A 67 168.048 1.502 9.644 1.00 0.00 N ATOM 1050 CA HIS A 67 166.950 2.460 9.770 1.00 0.00 C ATOM 1051 C HIS A 67 165.665 1.913 9.156 1.00 0.00 C ATOM 1052 O HIS A 67 165.700 1.033 8.296 1.00 0.00 O ATOM 1053 CB HIS A 67 167.322 3.788 9.110 1.00 0.00 C ATOM 1054 CG HIS A 67 167.217 4.965 10.032 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.851 6.162 10.017 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 166.385 4.990 11.131 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 167.394 6.879 11.095 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 166.510 6.151 11.751 1.00 0.00 N flip ATOM 0 H HIS A 67 167.804 0.638 9.161 1.00 0.00 H new ATOM 0 HA HIS A 67 166.775 2.627 10.833 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.342 3.723 8.732 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.673 3.951 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.732 4.186 11.438 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.707 7.877 11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 67 166.009 6.435 12.593 1.00 0.00 H new ATOM 1067 N GLU A 68 164.531 2.446 9.603 1.00 0.00 N ATOM 1068 CA GLU A 68 163.230 2.018 9.100 1.00 0.00 C ATOM 1069 C GLU A 68 163.085 2.340 7.617 1.00 0.00 C ATOM 1070 O GLU A 68 162.633 1.508 6.831 1.00 0.00 O ATOM 1071 CB GLU A 68 162.105 2.692 9.888 1.00 0.00 C ATOM 1072 CG GLU A 68 160.714 2.271 9.444 1.00 0.00 C ATOM 1073 CD GLU A 68 160.481 0.779 9.594 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.680 0.258 10.711 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.102 0.135 8.595 1.00 0.00 O ATOM 0 H GLU A 68 164.487 3.176 10.314 1.00 0.00 H new ATOM 0 HA GLU A 68 163.160 0.938 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.225 2.461 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.198 3.773 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 68 159.970 2.812 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.568 2.555 8.402 1.00 0.00 H new ATOM 1082 N ASP A 69 163.475 3.554 7.243 1.00 0.00 N ATOM 1083 CA ASP A 69 163.390 3.987 5.853 1.00 0.00 C ATOM 1084 C ASP A 69 164.616 3.526 5.074 1.00 0.00 C ATOM 1085 O ASP A 69 165.720 3.462 5.616 1.00 0.00 O ATOM 1086 CB ASP A 69 163.256 5.510 5.776 1.00 0.00 C ATOM 1087 CG ASP A 69 161.846 5.949 5.436 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.432 5.766 4.272 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.154 6.475 6.333 1.00 0.00 O ATOM 0 H ASP A 69 163.852 4.254 7.882 1.00 0.00 H new ATOM 0 HA ASP A 69 162.505 3.535 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.549 5.947 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.945 5.895 5.024 1.00 0.00 H new ATOM 1094 N MET A 70 164.417 3.196 3.803 1.00 0.00 N ATOM 1095 CA MET A 70 165.508 2.732 2.958 1.00 0.00 C ATOM 1096 C MET A 70 166.470 3.869 2.628 1.00 0.00 C ATOM 1097 O MET A 70 167.688 3.697 2.682 1.00 0.00 O ATOM 1098 CB MET A 70 164.959 2.081 1.681 1.00 0.00 C ATOM 1099 CG MET A 70 164.566 3.060 0.580 1.00 0.00 C ATOM 1100 SD MET A 70 162.994 3.881 0.906 1.00 0.00 S ATOM 1101 CE MET A 70 161.967 3.158 -0.370 1.00 0.00 C ATOM 0 H MET A 70 163.511 3.241 3.337 1.00 0.00 H new ATOM 0 HA MET A 70 166.069 1.978 3.509 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.710 1.397 1.287 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.087 1.481 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.348 3.812 0.472 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.503 2.527 -0.369 1.00 0.00 H new ATOM 0 HE1 MET A 70 160.959 3.566 -0.301 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.386 3.390 -1.349 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.930 2.077 -0.238 1.00 0.00 H new ATOM 1111 N TYR A 71 165.922 5.032 2.292 1.00 0.00 N ATOM 1112 CA TYR A 71 166.747 6.188 1.961 1.00 0.00 C ATOM 1113 C TYR A 71 167.539 6.645 3.177 1.00 0.00 C ATOM 1114 O TYR A 71 168.652 7.155 3.051 1.00 0.00 O ATOM 1115 CB TYR A 71 165.885 7.331 1.417 1.00 0.00 C ATOM 1116 CG TYR A 71 165.761 7.329 -0.095 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.098 6.204 -0.843 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.311 8.454 -0.774 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.989 6.202 -2.219 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.200 8.459 -2.153 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.541 7.331 -2.870 1.00 0.00 C ATOM 1122 OH TYR A 71 165.429 7.333 -4.241 1.00 0.00 O ATOM 0 H TYR A 71 164.917 5.199 2.242 1.00 0.00 H new ATOM 0 HA TYR A 71 167.452 5.894 1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.889 7.265 1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.312 8.281 1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.451 5.317 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 71 165.043 9.339 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.254 5.320 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.848 9.342 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 71 165.098 8.205 -4.541 1.00 0.00 H new ATOM 1132 N THR A 72 166.973 6.432 4.360 1.00 0.00 N ATOM 1133 CA THR A 72 167.649 6.796 5.596 1.00 0.00 C ATOM 1134 C THR A 72 168.779 5.813 5.868 1.00 0.00 C ATOM 1135 O THR A 72 169.806 6.169 6.445 1.00 0.00 O ATOM 1136 CB THR A 72 166.667 6.812 6.767 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.799 5.695 6.711 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.812 8.061 6.813 1.00 0.00 C ATOM 0 H THR A 72 166.053 6.011 4.487 1.00 0.00 H new ATOM 0 HA THR A 72 168.062 7.799 5.488 1.00 0.00 H new ATOM 0 HB THR A 72 167.286 6.783 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 72 166.228 4.972 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.137 8.009 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 72 166.453 8.937 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 72 165.230 8.137 5.895 1.00 0.00 H new ATOM 1146 N ALA A 73 168.584 4.570 5.428 1.00 0.00 N ATOM 1147 CA ALA A 73 169.585 3.528 5.601 1.00 0.00 C ATOM 1148 C ALA A 73 170.824 3.842 4.769 1.00 0.00 C ATOM 1149 O ALA A 73 171.952 3.560 5.178 1.00 0.00 O ATOM 1150 CB ALA A 73 169.008 2.173 5.210 1.00 0.00 C ATOM 0 H ALA A 73 167.738 4.264 4.948 1.00 0.00 H new ATOM 0 HA ALA A 73 169.875 3.491 6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.767 1.402 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.147 1.948 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.696 2.198 4.166 1.00 0.00 H new ATOM 1156 N ILE A 74 170.604 4.442 3.603 1.00 0.00 N ATOM 1157 CA ILE A 74 171.706 4.810 2.715 1.00 0.00 C ATOM 1158 C ILE A 74 172.519 5.945 3.324 1.00 0.00 C ATOM 1159 O ILE A 74 173.746 5.870 3.410 1.00 0.00 O ATOM 1160 CB ILE A 74 171.234 5.251 1.304 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.816 4.757 0.988 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.211 4.751 0.248 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.697 3.252 0.882 1.00 0.00 C ATOM 0 H ILE A 74 169.678 4.684 3.251 1.00 0.00 H new ATOM 0 HA ILE A 74 172.312 3.911 2.602 1.00 0.00 H new ATOM 0 HB ILE A 74 171.209 6.341 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.138 5.111 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.487 5.204 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.872 5.065 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.200 5.167 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.261 3.663 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.665 2.984 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.348 2.891 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.993 2.796 1.827 1.00 0.00 H new ATOM 1175 N ASN A 75 171.824 6.998 3.745 1.00 0.00 N ATOM 1176 CA ASN A 75 172.474 8.156 4.347 1.00 0.00 C ATOM 1177 C ASN A 75 173.286 7.748 5.572 1.00 0.00 C ATOM 1178 O ASN A 75 174.375 8.271 5.812 1.00 0.00 O ATOM 1179 CB ASN A 75 171.431 9.206 4.735 1.00 0.00 C ATOM 1180 CG ASN A 75 170.922 9.983 3.536 1.00 0.00 C ATOM 1181 OD1 ASN A 75 171.610 10.858 3.012 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.710 9.664 3.097 1.00 0.00 N ATOM 0 H ASN A 75 170.809 7.072 3.680 1.00 0.00 H new ATOM 0 HA ASN A 75 173.154 8.585 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.593 8.716 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.866 9.898 5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.314 10.152 2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.175 8.931 3.563 1.00 0.00 H new ATOM 1189 N GLU A 76 172.754 6.809 6.343 1.00 0.00 N ATOM 1190 CA GLU A 76 173.438 6.329 7.537 1.00 0.00 C ATOM 1191 C GLU A 76 174.751 5.648 7.159 1.00 0.00 C ATOM 1192 O GLU A 76 175.765 5.812 7.837 1.00 0.00 O ATOM 1193 CB GLU A 76 172.543 5.359 8.311 1.00 0.00 C ATOM 1194 CG GLU A 76 172.337 5.750 9.766 1.00 0.00 C ATOM 1195 CD GLU A 76 171.318 6.859 9.933 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.412 7.869 9.206 1.00 0.00 O ATOM 1197 OE2 GLU A 76 170.424 6.717 10.795 1.00 0.00 O ATOM 0 H GLU A 76 171.853 6.365 6.164 1.00 0.00 H new ATOM 0 HA GLU A 76 173.659 7.184 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.573 5.301 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.981 4.362 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.013 4.876 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 76 173.289 6.069 10.191 1.00 0.00 H new ATOM 1204 N LEU A 77 174.721 4.887 6.068 1.00 0.00 N ATOM 1205 CA LEU A 77 175.906 4.183 5.592 1.00 0.00 C ATOM 1206 C LEU A 77 177.023 5.171 5.251 1.00 0.00 C ATOM 1207 O LEU A 77 178.169 4.993 5.666 1.00 0.00 O ATOM 1208 CB LEU A 77 175.547 3.321 4.370 1.00 0.00 C ATOM 1209 CG LEU A 77 176.633 3.189 3.295 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.600 1.805 2.666 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.461 4.264 2.232 1.00 0.00 C ATOM 0 H LEU A 77 173.888 4.743 5.497 1.00 0.00 H new ATOM 0 HA LEU A 77 176.269 3.530 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.287 2.322 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.654 3.739 3.906 1.00 0.00 H new ATOM 0 HG LEU A 77 177.605 3.325 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 77 177.378 1.732 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 77 176.772 1.052 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.626 1.638 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.239 4.157 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.483 4.158 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.537 5.248 2.694 1.00 0.00 H new ATOM 1223 N ILE A 78 176.682 6.209 4.494 1.00 0.00 N ATOM 1224 CA ILE A 78 177.656 7.221 4.096 1.00 0.00 C ATOM 1225 C ILE A 78 178.160 8.012 5.301 1.00 0.00 C ATOM 1226 O ILE A 78 179.316 8.434 5.336 1.00 0.00 O ATOM 1227 CB ILE A 78 177.058 8.197 3.061 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.083 9.264 2.662 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.801 8.850 3.612 1.00 0.00 C ATOM 1230 CD1 ILE A 78 179.354 8.694 2.074 1.00 0.00 C ATOM 0 H ILE A 78 175.738 6.372 4.143 1.00 0.00 H new ATOM 0 HA ILE A 78 178.495 6.692 3.643 1.00 0.00 H new ATOM 0 HB ILE A 78 176.794 7.628 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.628 9.939 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.334 9.860 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.392 9.535 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.063 8.082 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.046 9.402 4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 78 180.032 9.507 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 78 179.832 8.041 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 78 179.115 8.122 1.178 1.00 0.00 H new ATOM 1242 N ASN A 79 177.287 8.213 6.283 1.00 0.00 N ATOM 1243 CA ASN A 79 177.648 8.959 7.483 1.00 0.00 C ATOM 1244 C ASN A 79 178.795 8.270 8.227 1.00 0.00 C ATOM 1245 O ASN A 79 179.837 8.877 8.475 1.00 0.00 O ATOM 1246 CB ASN A 79 176.414 9.125 8.387 1.00 0.00 C ATOM 1247 CG ASN A 79 176.607 8.577 9.790 1.00 0.00 C ATOM 1248 OD1 ASN A 79 177.245 9.209 10.633 1.00 0.00 O ATOM 1249 ND2 ASN A 79 176.056 7.397 10.043 1.00 0.00 N ATOM 0 H ASN A 79 176.326 7.870 6.271 1.00 0.00 H new ATOM 0 HA ASN A 79 177.997 9.950 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.162 10.183 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.565 8.622 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 79 176.152 6.977 10.967 1.00 0.00 H new ATOM 0 HD22 ASN A 79 175.536 6.910 9.313 1.00 0.00 H new ATOM 1256 N LYS A 80 178.594 7.004 8.581 1.00 0.00 N ATOM 1257 CA LYS A 80 179.610 6.239 9.297 1.00 0.00 C ATOM 1258 C LYS A 80 180.908 6.173 8.500 1.00 0.00 C ATOM 1259 O LYS A 80 181.991 6.400 9.037 1.00 0.00 O ATOM 1260 CB LYS A 80 179.099 4.824 9.588 1.00 0.00 C ATOM 1261 CG LYS A 80 178.963 4.522 11.071 1.00 0.00 C ATOM 1262 CD LYS A 80 179.170 3.043 11.359 1.00 0.00 C ATOM 1263 CE LYS A 80 179.896 2.828 12.677 1.00 0.00 C ATOM 1264 NZ LYS A 80 179.331 3.673 13.766 1.00 0.00 N ATOM 0 H LYS A 80 177.737 6.486 8.384 1.00 0.00 H new ATOM 0 HA LYS A 80 179.814 6.746 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.130 4.690 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.780 4.101 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.691 5.108 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.975 4.826 11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 80 178.204 2.538 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.742 2.590 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 80 179.830 1.778 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 80 180.954 3.058 12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 179.526 3.230 14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 179.769 4.616 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 178.303 3.764 13.637 1.00 0.00 H new ATOM 1278 N LEU A 81 180.791 5.857 7.215 1.00 0.00 N ATOM 1279 CA LEU A 81 181.957 5.759 6.345 1.00 0.00 C ATOM 1280 C LEU A 81 182.699 7.088 6.274 1.00 0.00 C ATOM 1281 O LEU A 81 183.915 7.138 6.451 1.00 0.00 O ATOM 1282 CB LEU A 81 181.534 5.324 4.941 1.00 0.00 C ATOM 1283 CG LEU A 81 181.025 3.888 4.836 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.499 3.612 3.435 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.126 2.903 5.198 1.00 0.00 C ATOM 0 H LEU A 81 179.902 5.665 6.753 1.00 0.00 H new ATOM 0 HA LEU A 81 182.630 5.011 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.753 5.997 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 81 182.384 5.442 4.269 1.00 0.00 H new ATOM 0 HG LEU A 81 180.205 3.760 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 81 180.140 2.584 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.680 4.296 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.300 3.758 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 81 181.745 1.885 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.967 3.030 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.457 3.087 6.220 1.00 0.00 H new ATOM 1297 N GLU A 82 181.959 8.162 6.009 1.00 0.00 N ATOM 1298 CA GLU A 82 182.549 9.494 5.908 1.00 0.00 C ATOM 1299 C GLU A 82 183.475 9.784 7.088 1.00 0.00 C ATOM 1300 O GLU A 82 184.692 9.856 6.926 1.00 0.00 O ATOM 1301 CB GLU A 82 181.448 10.555 5.830 1.00 0.00 C ATOM 1302 CG GLU A 82 181.225 11.096 4.427 1.00 0.00 C ATOM 1303 CD GLU A 82 181.061 12.602 4.400 1.00 0.00 C ATOM 1304 OE1 GLU A 82 181.657 13.280 5.264 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.337 13.105 3.516 1.00 0.00 O ATOM 0 H GLU A 82 180.950 8.136 5.860 1.00 0.00 H new ATOM 0 HA GLU A 82 183.145 9.528 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.516 10.127 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.703 11.382 6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.068 10.815 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 82 180.337 10.630 3.999 1.00 0.00 H new ATOM 1312 N ARG A 83 182.892 9.948 8.274 1.00 0.00 N ATOM 1313 CA ARG A 83 183.674 10.230 9.478 1.00 0.00 C ATOM 1314 C ARG A 83 184.843 9.259 9.618 1.00 0.00 C ATOM 1315 O ARG A 83 185.989 9.672 9.789 1.00 0.00 O ATOM 1316 CB ARG A 83 182.789 10.161 10.727 1.00 0.00 C ATOM 1317 CG ARG A 83 181.715 9.080 10.670 1.00 0.00 C ATOM 1318 CD ARG A 83 181.761 8.159 11.883 1.00 0.00 C ATOM 1319 NE ARG A 83 182.189 8.851 13.100 1.00 0.00 N ATOM 1320 CZ ARG A 83 181.473 9.793 13.709 1.00 0.00 C ATOM 1321 NH1 ARG A 83 180.290 10.155 13.229 1.00 0.00 N ATOM 1322 NH2 ARG A 83 181.941 10.375 14.807 1.00 0.00 N ATOM 0 H ARG A 83 181.885 9.891 8.428 1.00 0.00 H new ATOM 0 HA ARG A 83 184.074 11.239 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 83 183.421 9.985 11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.308 11.128 10.873 1.00 0.00 H new ATOM 0 HG2 ARG A 83 180.733 9.549 10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 83 181.844 8.490 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 83 180.773 7.727 12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 83 182.442 7.332 11.681 1.00 0.00 H new ATOM 0 HE ARG A 83 183.090 8.596 13.505 1.00 0.00 H new ATOM 0 HH11 ARG A 83 179.923 9.710 12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 83 179.747 10.878 13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 83 182.848 10.100 15.183 1.00 0.00 H new ATOM 0 HH22 ARG A 83 181.393 11.097 15.275 1.00 0.00 H new ATOM 1336 N GLN A 84 184.545 7.966 9.543 1.00 0.00 N ATOM 1337 CA GLN A 84 185.573 6.939 9.662 1.00 0.00 C ATOM 1338 C GLN A 84 186.639 7.099 8.581 1.00 0.00 C ATOM 1339 O GLN A 84 187.762 6.619 8.731 1.00 0.00 O ATOM 1340 CB GLN A 84 184.942 5.548 9.572 1.00 0.00 C ATOM 1341 CG GLN A 84 184.352 5.062 10.886 1.00 0.00 C ATOM 1342 CD GLN A 84 182.973 4.455 10.718 1.00 0.00 C ATOM 1343 OE1 GLN A 84 182.049 4.767 11.470 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.827 3.581 9.728 1.00 0.00 N ATOM 0 H GLN A 84 183.602 7.605 9.401 1.00 0.00 H new ATOM 0 HA GLN A 84 186.053 7.053 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.158 5.562 8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.697 4.837 9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.019 4.322 11.328 1.00 0.00 H new ATOM 0 HG3 GLN A 84 184.295 5.897 11.585 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.620 3.352 9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.922 3.139 9.567 1.00 0.00 H new ATOM 1353 N LEU A 85 186.284 7.776 7.491 1.00 0.00 N ATOM 1354 CA LEU A 85 187.217 7.992 6.391 1.00 0.00 C ATOM 1355 C LEU A 85 188.217 9.094 6.730 1.00 0.00 C ATOM 1356 O LEU A 85 189.417 8.842 6.843 1.00 0.00 O ATOM 1357 CB LEU A 85 186.459 8.350 5.110 1.00 0.00 C ATOM 1358 CG LEU A 85 186.778 7.465 3.903 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.602 7.436 2.937 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.039 7.953 3.202 1.00 0.00 C ATOM 0 H LEU A 85 185.360 8.183 7.347 1.00 0.00 H new ATOM 0 HA LEU A 85 187.767 7.065 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.389 8.294 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.681 9.385 4.851 1.00 0.00 H new ATOM 0 HG LEU A 85 186.955 6.449 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 85 185.847 6.802 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.724 7.038 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.392 8.447 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.251 7.312 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.892 8.978 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.878 7.919 3.897 1.00 0.00 H new ATOM 1372 N ASN A 86 187.719 10.320 6.886 1.00 0.00 N ATOM 1373 CA ASN A 86 188.576 11.464 7.206 1.00 0.00 C ATOM 1374 C ASN A 86 189.556 11.125 8.326 1.00 0.00 C ATOM 1375 O ASN A 86 190.685 11.612 8.342 1.00 0.00 O ATOM 1376 CB ASN A 86 187.745 12.693 7.602 1.00 0.00 C ATOM 1377 CG ASN A 86 186.391 12.336 8.180 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.255 12.105 9.381 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.384 12.291 7.321 1.00 0.00 N ATOM 0 H ASN A 86 186.729 10.548 6.796 1.00 0.00 H new ATOM 0 HA ASN A 86 189.141 11.700 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.302 13.280 8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.604 13.326 6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.446 12.057 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.546 12.490 6.334 1.00 0.00 H new ATOM 1386 N LYS A 87 189.117 10.288 9.260 1.00 0.00 N ATOM 1387 CA LYS A 87 189.961 9.887 10.379 1.00 0.00 C ATOM 1388 C LYS A 87 190.971 8.829 9.946 1.00 0.00 C ATOM 1389 O LYS A 87 192.178 9.005 10.109 1.00 0.00 O ATOM 1390 CB LYS A 87 189.101 9.350 11.526 1.00 0.00 C ATOM 1391 CG LYS A 87 189.891 9.056 12.791 1.00 0.00 C ATOM 1392 CD LYS A 87 190.306 7.597 12.862 1.00 0.00 C ATOM 1393 CE LYS A 87 189.111 6.687 13.089 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.283 5.366 12.425 1.00 0.00 N ATOM 0 H LYS A 87 188.184 9.875 9.264 1.00 0.00 H new ATOM 0 HA LYS A 87 190.507 10.765 10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.321 10.076 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.602 8.438 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.778 9.689 12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.288 9.307 13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.808 7.315 11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.026 7.462 13.669 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.966 6.539 14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.210 7.169 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.446 4.776 12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.396 5.505 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.128 4.894 12.805 1.00 0.00 H new ATOM 1408 N LEU A 88 190.471 7.731 9.392 1.00 0.00 N ATOM 1409 CA LEU A 88 191.336 6.647 8.933 1.00 0.00 C ATOM 1410 C LEU A 88 192.351 7.151 7.911 1.00 0.00 C ATOM 1411 O LEU A 88 193.402 6.542 7.716 1.00 0.00 O ATOM 1412 CB LEU A 88 190.496 5.522 8.324 1.00 0.00 C ATOM 1413 CG LEU A 88 191.199 4.165 8.212 1.00 0.00 C ATOM 1414 CD1 LEU A 88 192.200 4.178 7.068 1.00 0.00 C ATOM 1415 CD2 LEU A 88 191.883 3.804 9.523 1.00 0.00 C ATOM 0 H LEU A 88 189.475 7.566 9.249 1.00 0.00 H new ATOM 0 HA LEU A 88 191.880 6.261 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.596 5.397 8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.175 5.829 7.329 1.00 0.00 H new ATOM 0 HG LEU A 88 190.447 3.404 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 88 192.690 3.207 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 88 191.681 4.386 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 88 192.948 4.950 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.376 2.837 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.624 4.565 9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 88 191.140 3.751 10.319 1.00 0.00 H new ATOM 1427 N GLN A 89 192.030 8.265 7.257 1.00 0.00 N ATOM 1428 CA GLN A 89 192.914 8.843 6.253 1.00 0.00 C ATOM 1429 C GLN A 89 193.931 9.789 6.889 1.00 0.00 C ATOM 1430 O GLN A 89 195.097 9.812 6.499 1.00 0.00 O ATOM 1431 CB GLN A 89 192.098 9.588 5.193 1.00 0.00 C ATOM 1432 CG GLN A 89 191.939 8.812 3.895 1.00 0.00 C ATOM 1433 CD GLN A 89 193.125 8.979 2.967 1.00 0.00 C ATOM 1434 OE1 GLN A 89 193.777 8.004 2.592 1.00 0.00 O ATOM 1435 NE2 GLN A 89 193.413 10.220 2.592 1.00 0.00 N ATOM 0 H GLN A 89 191.164 8.784 7.406 1.00 0.00 H new ATOM 0 HA GLN A 89 193.459 8.027 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 89 191.111 9.812 5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 89 192.579 10.543 4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 89 191.806 7.754 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 89 191.034 9.144 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 89 192.846 10.999 2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 89 194.202 10.394 1.969 1.00 0.00 H new ATOM 1444 N HIS A 90 193.480 10.577 7.863 1.00 0.00 N ATOM 1445 CA HIS A 90 194.354 11.534 8.538 1.00 0.00 C ATOM 1446 C HIS A 90 195.254 10.854 9.577 1.00 0.00 C ATOM 1447 O HIS A 90 195.833 11.522 10.435 1.00 0.00 O ATOM 1448 CB HIS A 90 193.515 12.644 9.194 1.00 0.00 C ATOM 1449 CG HIS A 90 193.209 12.425 10.646 1.00 0.00 C ATOM 1450 ND1 HIS A 90 192.969 11.180 11.189 1.00 0.00 N ATOM 1451 CD2 HIS A 90 193.112 13.305 11.672 1.00 0.00 C ATOM 1452 CE1 HIS A 90 192.736 11.304 12.484 1.00 0.00 C ATOM 1453 NE2 HIS A 90 192.817 12.582 12.802 1.00 0.00 N ATOM 0 H HIS A 90 192.518 10.572 8.202 1.00 0.00 H new ATOM 0 HA HIS A 90 195.007 11.976 7.785 1.00 0.00 H new ATOM 0 HB2 HIS A 90 194.044 13.591 9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 90 192.576 12.740 8.649 1.00 0.00 H new ATOM 0 HD1 HIS A 90 192.971 10.301 10.672 1.00 0.00 H new ATOM 0 HD2 HIS A 90 193.242 14.375 11.612 1.00 0.00 H new ATOM 0 HE1 HIS A 90 192.516 10.496 13.166 1.00 0.00 H new ATOM 1462 N LYS A 91 195.375 9.531 9.496 1.00 0.00 N ATOM 1463 CA LYS A 91 196.208 8.781 10.426 1.00 0.00 C ATOM 1464 C LYS A 91 197.423 8.207 9.710 1.00 0.00 C ATOM 1465 O LYS A 91 197.595 6.988 9.640 1.00 0.00 O ATOM 1466 CB LYS A 91 195.400 7.657 11.080 1.00 0.00 C ATOM 1467 CG LYS A 91 196.196 6.844 12.088 1.00 0.00 C ATOM 1468 CD LYS A 91 195.284 6.110 13.058 1.00 0.00 C ATOM 1469 CE LYS A 91 194.466 5.043 12.352 1.00 0.00 C ATOM 1470 NZ LYS A 91 195.302 4.217 11.436 1.00 0.00 N ATOM 0 H LYS A 91 194.906 8.958 8.795 1.00 0.00 H new ATOM 0 HA LYS A 91 196.553 9.462 11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 91 194.531 8.087 11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 91 195.025 6.991 10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 91 196.824 6.125 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 91 196.863 7.503 12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 91 195.882 5.650 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 91 194.615 6.823 13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 91 193.994 4.398 13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 91 193.665 5.516 11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 194.788 3.349 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 195.509 4.758 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 196.193 3.967 11.910 1.00 0.00 H new ATOM 1484 N GLY A 92 198.253 9.102 9.173 1.00 0.00 N ATOM 1485 CA GLY A 92 199.458 8.711 8.448 1.00 0.00 C ATOM 1486 C GLY A 92 199.951 7.316 8.787 1.00 0.00 C ATOM 1487 O GLY A 92 200.416 7.066 9.900 1.00 0.00 O ATOM 0 H GLY A 92 198.109 10.110 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 92 199.261 8.766 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 92 200.250 9.429 8.664 1.00 0.00 H new ATOM 1491 N GLU A 93 199.845 6.409 7.823 1.00 0.00 N ATOM 1492 CA GLU A 93 200.275 5.026 8.007 1.00 0.00 C ATOM 1493 C GLU A 93 201.650 4.954 8.667 1.00 0.00 C ATOM 1494 O GLU A 93 202.676 5.139 8.014 1.00 0.00 O ATOM 1495 CB GLU A 93 200.305 4.300 6.659 1.00 0.00 C ATOM 1496 CG GLU A 93 199.334 3.134 6.574 1.00 0.00 C ATOM 1497 CD GLU A 93 199.637 2.047 7.587 1.00 0.00 C ATOM 1498 OE1 GLU A 93 200.805 1.610 7.656 1.00 0.00 O ATOM 1499 OE2 GLU A 93 198.707 1.632 8.309 1.00 0.00 O ATOM 0 H GLU A 93 199.462 6.608 6.899 1.00 0.00 H new ATOM 0 HA GLU A 93 199.557 4.537 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 93 200.074 5.012 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 93 201.315 3.935 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 93 198.319 3.499 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 93 199.368 2.710 5.570 1.00 0.00 H new ATOM 1506 N ALA A 94 201.659 4.684 9.969 1.00 0.00 N ATOM 1507 CA ALA A 94 202.904 4.584 10.719 1.00 0.00 C ATOM 1508 C ALA A 94 203.107 3.169 11.251 1.00 0.00 C ATOM 1509 O ALA A 94 203.766 2.965 12.271 1.00 0.00 O ATOM 1510 CB ALA A 94 202.912 5.587 11.862 1.00 0.00 C ATOM 0 H ALA A 94 200.818 4.531 10.525 1.00 0.00 H new ATOM 0 HA ALA A 94 203.729 4.814 10.045 1.00 0.00 H new ATOM 0 HB1 ALA A 94 203.848 5.502 12.414 1.00 0.00 H new ATOM 0 HB2 ALA A 94 202.818 6.596 11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 94 202.076 5.383 12.531 1.00 0.00 H new ATOM 1516 N ARG A 95 202.537 2.191 10.552 1.00 0.00 N ATOM 1517 CA ARG A 95 202.654 0.795 10.953 1.00 0.00 C ATOM 1518 C ARG A 95 203.735 0.087 10.141 1.00 0.00 C ATOM 1519 O ARG A 95 203.447 -0.824 9.364 1.00 0.00 O ATOM 1520 CB ARG A 95 201.315 0.077 10.776 1.00 0.00 C ATOM 1521 CG ARG A 95 201.109 -1.072 11.750 1.00 0.00 C ATOM 1522 CD ARG A 95 200.377 -2.236 11.098 1.00 0.00 C ATOM 1523 NE ARG A 95 201.216 -2.937 10.129 1.00 0.00 N ATOM 1524 CZ ARG A 95 201.170 -2.732 8.812 1.00 0.00 C ATOM 1525 NH1 ARG A 95 200.330 -1.847 8.294 1.00 0.00 N ATOM 1526 NH2 ARG A 95 201.974 -3.419 8.010 1.00 0.00 N ATOM 0 H ARG A 95 201.989 2.341 9.705 1.00 0.00 H new ATOM 0 HA ARG A 95 202.936 0.767 12.005 1.00 0.00 H new ATOM 0 HB2 ARG A 95 200.506 0.797 10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 95 201.248 -0.305 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 95 202.076 -1.412 12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 95 200.541 -0.722 12.612 1.00 0.00 H new ATOM 0 HD2 ARG A 95 200.050 -2.935 11.868 1.00 0.00 H new ATOM 0 HD3 ARG A 95 199.480 -1.867 10.601 1.00 0.00 H new ATOM 0 HE ARG A 95 201.879 -3.627 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 95 199.710 -1.314 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 95 200.304 -1.699 7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 95 202.624 -4.101 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 95 201.942 -3.265 7.002 1.00 0.00 H new ATOM 1540 N ARG A 96 204.978 0.515 10.326 1.00 0.00 N ATOM 1541 CA ARG A 96 206.102 -0.076 9.611 1.00 0.00 C ATOM 1542 C ARG A 96 206.413 -1.471 10.141 1.00 0.00 C ATOM 1543 O ARG A 96 206.985 -2.299 9.435 1.00 0.00 O ATOM 1544 CB ARG A 96 207.342 0.813 9.735 1.00 0.00 C ATOM 1545 CG ARG A 96 207.045 2.301 9.624 1.00 0.00 C ATOM 1546 CD ARG A 96 207.648 2.897 8.360 1.00 0.00 C ATOM 1547 NE ARG A 96 209.049 2.518 8.199 1.00 0.00 N ATOM 1548 CZ ARG A 96 209.746 2.704 7.080 1.00 0.00 C ATOM 1549 NH1 ARG A 96 209.176 3.266 6.021 1.00 0.00 N ATOM 1550 NH2 ARG A 96 211.017 2.325 7.021 1.00 0.00 N ATOM 0 H ARG A 96 205.233 1.269 10.965 1.00 0.00 H new ATOM 0 HA ARG A 96 205.824 -0.157 8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 96 207.822 0.619 10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 96 208.055 0.536 8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 96 205.966 2.459 9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 96 207.442 2.819 10.497 1.00 0.00 H new ATOM 0 HD2 ARG A 96 207.079 2.563 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 96 207.567 3.983 8.395 1.00 0.00 H new ATOM 0 HE ARG A 96 209.522 2.085 8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 96 208.199 3.558 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 96 209.715 3.406 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 96 211.458 1.892 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 96 211.552 2.467 6.164 1.00 0.00 H new ATOM 1564 N ALA A 97 206.036 -1.727 11.389 1.00 0.00 N ATOM 1565 CA ALA A 97 206.279 -3.024 12.006 1.00 0.00 C ATOM 1566 C ALA A 97 205.359 -4.091 11.423 1.00 0.00 C ATOM 1567 O ALA A 97 204.340 -3.778 10.807 1.00 0.00 O ATOM 1568 CB ALA A 97 206.095 -2.933 13.514 1.00 0.00 C ATOM 0 H ALA A 97 205.562 -1.054 11.992 1.00 0.00 H new ATOM 0 HA ALA A 97 207.308 -3.313 11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 97 206.280 -3.909 13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 97 206.798 -2.207 13.923 1.00 0.00 H new ATOM 0 HB3 ALA A 97 205.076 -2.618 13.738 1.00 0.00 H new ATOM 1574 N ALA A 98 205.730 -5.355 11.618 1.00 0.00 N ATOM 1575 CA ALA A 98 204.941 -6.472 11.112 1.00 0.00 C ATOM 1576 C ALA A 98 204.840 -6.440 9.589 1.00 0.00 C ATOM 1577 O ALA A 98 203.958 -7.069 9.004 1.00 0.00 O ATOM 1578 CB ALA A 98 203.554 -6.465 11.736 1.00 0.00 C ATOM 0 H ALA A 98 206.573 -5.629 12.123 1.00 0.00 H new ATOM 0 HA ALA A 98 205.450 -7.394 11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 98 202.977 -7.304 11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 98 203.642 -6.554 12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 98 203.048 -5.532 11.488 1.00 0.00 H new ATOM 1584 N THR A 99 205.751 -5.710 8.948 1.00 0.00 N ATOM 1585 CA THR A 99 205.762 -5.605 7.493 1.00 0.00 C ATOM 1586 C THR A 99 206.671 -6.676 6.893 1.00 0.00 C ATOM 1587 O THR A 99 207.893 -6.620 7.039 1.00 0.00 O ATOM 1588 CB THR A 99 206.213 -4.199 7.069 1.00 0.00 C ATOM 1589 OG1 THR A 99 205.096 -3.411 6.691 1.00 0.00 O ATOM 1590 CG2 THR A 99 207.195 -4.180 5.913 1.00 0.00 C ATOM 0 H THR A 99 206.490 -5.184 9.414 1.00 0.00 H new ATOM 0 HA THR A 99 204.752 -5.768 7.116 1.00 0.00 H new ATOM 0 HB THR A 99 206.718 -3.795 7.946 1.00 0.00 H new ATOM 0 HG1 THR A 99 205.400 -2.518 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 99 207.461 -3.149 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 99 208.093 -4.733 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 99 206.738 -4.645 5.039 1.00 0.00 H new ATOM 1598 N SER A 100 206.066 -7.651 6.223 1.00 0.00 N ATOM 1599 CA SER A 100 206.822 -8.736 5.609 1.00 0.00 C ATOM 1600 C SER A 100 207.109 -8.451 4.138 1.00 0.00 C ATOM 1601 O SER A 100 206.318 -8.803 3.261 1.00 0.00 O ATOM 1602 CB SER A 100 206.056 -10.053 5.741 1.00 0.00 C ATOM 1603 OG SER A 100 204.722 -9.915 5.282 1.00 0.00 O ATOM 0 H SER A 100 205.056 -7.712 6.092 1.00 0.00 H new ATOM 0 HA SER A 100 207.775 -8.816 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 100 206.562 -10.831 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 100 206.054 -10.374 6.783 1.00 0.00 H new ATOM 0 HG SER A 100 204.717 -9.421 4.436 1.00 0.00 H new ATOM 1609 N VAL A 101 208.248 -7.821 3.873 1.00 0.00 N ATOM 1610 CA VAL A 101 208.641 -7.499 2.508 1.00 0.00 C ATOM 1611 C VAL A 101 209.592 -8.556 1.954 1.00 0.00 C ATOM 1612 O VAL A 101 209.225 -9.333 1.074 1.00 0.00 O ATOM 1613 CB VAL A 101 209.317 -6.116 2.425 1.00 0.00 C ATOM 1614 CG1 VAL A 101 209.552 -5.720 0.976 1.00 0.00 C ATOM 1615 CG2 VAL A 101 208.479 -5.070 3.143 1.00 0.00 C ATOM 0 H VAL A 101 208.914 -7.524 4.586 1.00 0.00 H new ATOM 0 HA VAL A 101 207.730 -7.480 1.910 1.00 0.00 H new ATOM 0 HB VAL A 101 210.286 -6.176 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 101 210.030 -4.741 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 101 210.197 -6.457 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 101 208.598 -5.678 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 101 208.971 -4.100 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 101 207.495 -5.011 2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 101 208.370 -5.348 4.191 1.00 0.00 H new ATOM 1625 N LYS A 102 210.815 -8.577 2.477 1.00 0.00 N ATOM 1626 CA LYS A 102 211.820 -9.539 2.037 1.00 0.00 C ATOM 1627 C LYS A 102 211.805 -10.791 2.913 1.00 0.00 C ATOM 1628 O LYS A 102 212.815 -11.485 3.033 1.00 0.00 O ATOM 1629 CB LYS A 102 213.210 -8.902 2.071 1.00 0.00 C ATOM 1630 CG LYS A 102 214.132 -9.393 0.967 1.00 0.00 C ATOM 1631 CD LYS A 102 215.562 -9.550 1.463 1.00 0.00 C ATOM 1632 CE LYS A 102 215.731 -10.819 2.283 1.00 0.00 C ATOM 1633 NZ LYS A 102 217.065 -10.879 2.942 1.00 0.00 N ATOM 0 H LYS A 102 211.134 -7.939 3.206 1.00 0.00 H new ATOM 0 HA LYS A 102 211.580 -9.831 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 102 213.106 -7.820 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 102 213.671 -9.108 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 102 213.770 -10.349 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 102 214.110 -8.691 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 102 216.243 -9.572 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 102 215.835 -8.685 2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 102 214.949 -10.869 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 102 215.605 -11.688 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 217.142 -11.759 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 217.811 -10.857 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 217.175 -10.063 3.578 1.00 0.00 H new ATOM 1647 N ASP A 103 210.659 -11.074 3.525 1.00 0.00 N ATOM 1648 CA ASP A 103 210.517 -12.241 4.392 1.00 0.00 C ATOM 1649 C ASP A 103 210.983 -13.512 3.691 1.00 0.00 C ATOM 1650 O ASP A 103 210.816 -13.662 2.480 1.00 0.00 O ATOM 1651 CB ASP A 103 209.062 -12.397 4.838 1.00 0.00 C ATOM 1652 CG ASP A 103 208.919 -13.323 6.031 1.00 0.00 C ATOM 1653 OD1 ASP A 103 209.817 -13.319 6.898 1.00 0.00 O ATOM 1654 OD2 ASP A 103 207.907 -14.053 6.095 1.00 0.00 O ATOM 0 H ASP A 103 209.813 -10.511 3.437 1.00 0.00 H new ATOM 0 HA ASP A 103 211.147 -12.084 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 103 208.655 -11.418 5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 103 208.470 -12.784 4.008 1.00 0.00 H new ATOM 1659 N ALA A 104 211.570 -14.424 4.459 1.00 0.00 N ATOM 1660 CA ALA A 104 212.060 -15.683 3.913 1.00 0.00 C ATOM 1661 C ALA A 104 210.941 -16.717 3.826 1.00 0.00 C ATOM 1662 O ALA A 104 211.044 -17.811 4.385 1.00 0.00 O ATOM 1663 CB ALA A 104 213.209 -16.213 4.761 1.00 0.00 C ATOM 0 H ALA A 104 211.718 -14.314 5.462 1.00 0.00 H new ATOM 0 HA ALA A 104 212.424 -15.496 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 104 213.566 -17.154 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 104 214.022 -15.487 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 104 212.862 -16.378 5.781 1.00 0.00 H new ATOM 1669 N ASN A 105 209.872 -16.365 3.120 1.00 0.00 N ATOM 1670 CA ASN A 105 208.733 -17.261 2.958 1.00 0.00 C ATOM 1671 C ASN A 105 208.779 -17.976 1.608 1.00 0.00 C ATOM 1672 O ASN A 105 208.126 -19.002 1.419 1.00 0.00 O ATOM 1673 CB ASN A 105 207.423 -16.481 3.093 1.00 0.00 C ATOM 1674 CG ASN A 105 206.500 -17.076 4.137 1.00 0.00 C ATOM 1675 OD1 ASN A 105 205.346 -17.396 3.853 1.00 0.00 O ATOM 1676 ND2 ASN A 105 207.007 -17.230 5.356 1.00 0.00 N ATOM 0 H ASN A 105 209.770 -15.465 2.651 1.00 0.00 H new ATOM 0 HA ASN A 105 208.784 -18.015 3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 105 207.645 -15.447 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 105 206.913 -16.463 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 105 206.434 -17.627 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 105 207.969 -16.951 5.547 1.00 0.00 H new ATOM 1683 N PHE A 106 209.553 -17.427 0.673 1.00 0.00 N ATOM 1684 CA PHE A 106 209.681 -18.014 -0.660 1.00 0.00 C ATOM 1685 C PHE A 106 210.201 -19.448 -0.588 1.00 0.00 C ATOM 1686 O PHE A 106 211.398 -19.694 -0.732 1.00 0.00 O ATOM 1687 CB PHE A 106 210.614 -17.165 -1.533 1.00 0.00 C ATOM 1688 CG PHE A 106 211.880 -16.709 -0.847 1.00 0.00 C ATOM 1689 CD1 PHE A 106 212.333 -17.320 0.316 1.00 0.00 C ATOM 1690 CD2 PHE A 106 212.620 -15.666 -1.378 1.00 0.00 C ATOM 1691 CE1 PHE A 106 213.495 -16.894 0.932 1.00 0.00 C ATOM 1692 CE2 PHE A 106 213.783 -15.238 -0.766 1.00 0.00 C ATOM 1693 CZ PHE A 106 214.221 -15.853 0.390 1.00 0.00 C ATOM 0 H PHE A 106 210.100 -16.578 0.814 1.00 0.00 H new ATOM 0 HA PHE A 106 208.688 -18.032 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 106 210.884 -17.740 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 106 210.068 -16.287 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 106 211.771 -18.137 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 106 212.284 -15.181 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 106 213.834 -17.376 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 106 214.349 -14.423 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 106 215.130 -15.520 0.869 1.00 0.00 H new ATOM 1703 N VAL A 107 209.292 -20.393 -0.368 1.00 0.00 N ATOM 1704 CA VAL A 107 209.662 -21.802 -0.281 1.00 0.00 C ATOM 1705 C VAL A 107 209.385 -22.537 -1.591 1.00 0.00 C ATOM 1706 O VAL A 107 209.421 -23.766 -1.639 1.00 0.00 O ATOM 1707 CB VAL A 107 208.905 -22.510 0.857 1.00 0.00 C ATOM 1708 CG1 VAL A 107 209.370 -21.995 2.210 1.00 0.00 C ATOM 1709 CG2 VAL A 107 207.403 -22.324 0.696 1.00 0.00 C ATOM 0 H VAL A 107 208.296 -20.209 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 107 210.732 -21.830 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 107 209.124 -23.576 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 107 208.823 -22.507 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 107 210.437 -22.185 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 107 209.183 -20.923 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 107 206.884 -22.831 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 107 207.163 -21.261 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 107 207.084 -22.746 -0.257 1.00 0.00 H new ATOM 1719 N GLU A 108 209.116 -21.782 -2.656 1.00 0.00 N ATOM 1720 CA GLU A 108 208.841 -22.374 -3.964 1.00 0.00 C ATOM 1721 C GLU A 108 208.447 -21.313 -4.982 1.00 0.00 C ATOM 1722 O GLU A 108 208.694 -21.459 -6.178 1.00 0.00 O ATOM 1723 CB GLU A 108 207.738 -23.432 -3.859 1.00 0.00 C ATOM 1724 CG GLU A 108 208.103 -24.756 -4.513 1.00 0.00 C ATOM 1725 CD GLU A 108 207.018 -25.269 -5.438 1.00 0.00 C ATOM 1726 OE1 GLU A 108 206.075 -25.923 -4.942 1.00 0.00 O ATOM 1727 OE2 GLU A 108 207.110 -25.019 -6.658 1.00 0.00 O ATOM 0 H GLU A 108 209.083 -20.763 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 108 209.759 -22.852 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 108 207.511 -23.606 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 108 206.830 -23.046 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 108 209.028 -24.636 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 108 208.296 -25.498 -3.739 1.00 0.00 H new ATOM 1734 N GLU A 109 207.835 -20.248 -4.495 1.00 0.00 N ATOM 1735 CA GLU A 109 207.399 -19.151 -5.353 1.00 0.00 C ATOM 1736 C GLU A 109 208.574 -18.575 -6.141 1.00 0.00 C ATOM 1737 O GLU A 109 209.288 -17.699 -5.654 1.00 0.00 O ATOM 1738 CB GLU A 109 206.741 -18.051 -4.515 1.00 0.00 C ATOM 1739 CG GLU A 109 207.660 -17.456 -3.461 1.00 0.00 C ATOM 1740 CD GLU A 109 206.898 -16.799 -2.326 1.00 0.00 C ATOM 1741 OE1 GLU A 109 205.914 -17.401 -1.847 1.00 0.00 O ATOM 1742 OE2 GLU A 109 207.285 -15.684 -1.918 1.00 0.00 O ATOM 0 H GLU A 109 207.626 -20.116 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 109 206.669 -19.544 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 109 206.400 -17.256 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 109 205.857 -18.459 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 109 208.300 -18.241 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 109 208.314 -16.720 -3.928 1.00 0.00 H new ATOM 1749 N VAL A 110 208.771 -19.075 -7.356 1.00 0.00 N ATOM 1750 CA VAL A 110 209.863 -18.608 -8.202 1.00 0.00 C ATOM 1751 C VAL A 110 209.513 -18.730 -9.683 1.00 0.00 C ATOM 1752 O VAL A 110 208.946 -19.733 -10.117 1.00 0.00 O ATOM 1753 CB VAL A 110 211.160 -19.398 -7.932 1.00 0.00 C ATOM 1754 CG1 VAL A 110 212.349 -18.720 -8.593 1.00 0.00 C ATOM 1755 CG2 VAL A 110 211.390 -19.555 -6.435 1.00 0.00 C ATOM 0 H VAL A 110 208.191 -19.801 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 110 210.021 -17.558 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 110 211.053 -20.392 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 110 213.254 -19.293 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 110 212.186 -18.668 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 110 212.461 -17.712 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 110 212.310 -20.115 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 110 211.474 -18.571 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 110 210.551 -20.092 -5.992 1.00 0.00 H new ATOM 1765 N GLU A 111 209.861 -17.702 -10.453 1.00 0.00 N ATOM 1766 CA GLU A 111 209.592 -17.692 -11.889 1.00 0.00 C ATOM 1767 C GLU A 111 210.669 -18.460 -12.659 1.00 0.00 C ATOM 1768 O GLU A 111 210.613 -18.557 -13.884 1.00 0.00 O ATOM 1769 CB GLU A 111 209.511 -16.253 -12.411 1.00 0.00 C ATOM 1770 CG GLU A 111 209.347 -16.159 -13.926 1.00 0.00 C ATOM 1771 CD GLU A 111 208.976 -14.768 -14.399 1.00 0.00 C ATOM 1772 OE1 GLU A 111 208.217 -14.082 -13.684 1.00 0.00 O ATOM 1773 OE2 GLU A 111 209.442 -14.364 -15.487 1.00 0.00 O ATOM 0 H GLU A 111 210.330 -16.865 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 111 208.634 -18.186 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 111 208.672 -15.748 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 111 210.414 -15.718 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 111 210.277 -16.463 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 111 208.578 -16.862 -14.247 1.00 0.00 H new ATOM 1780 N GLU A 112 211.653 -18.996 -11.936 1.00 0.00 N ATOM 1781 CA GLU A 112 212.748 -19.746 -12.553 1.00 0.00 C ATOM 1782 C GLU A 112 213.781 -18.798 -13.154 1.00 0.00 C ATOM 1783 O GLU A 112 214.959 -18.841 -12.797 1.00 0.00 O ATOM 1784 CB GLU A 112 212.220 -20.702 -13.627 1.00 0.00 C ATOM 1785 CG GLU A 112 212.891 -22.066 -13.612 1.00 0.00 C ATOM 1786 CD GLU A 112 213.632 -22.369 -14.899 1.00 0.00 C ATOM 1787 OE1 GLU A 112 213.105 -22.032 -15.981 1.00 0.00 O ATOM 1788 OE2 GLU A 112 214.740 -22.941 -14.827 1.00 0.00 O ATOM 0 H GLU A 112 211.714 -18.925 -10.920 1.00 0.00 H new ATOM 0 HA GLU A 112 213.229 -20.336 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 112 211.147 -20.833 -13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 112 212.362 -20.247 -14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 112 213.589 -22.114 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 112 212.137 -22.835 -13.442 1.00 0.00 H new ATOM 1795 N GLU A 113 213.335 -17.939 -14.066 1.00 0.00 N ATOM 1796 CA GLU A 113 214.223 -16.980 -14.712 1.00 0.00 C ATOM 1797 C GLU A 113 214.737 -15.954 -13.706 1.00 0.00 C ATOM 1798 O GLU A 113 215.972 -15.848 -13.547 1.00 0.00 O ATOM 1799 CB GLU A 113 213.500 -16.267 -15.857 1.00 0.00 C ATOM 1800 CG GLU A 113 214.430 -15.788 -16.959 1.00 0.00 C ATOM 1801 CD GLU A 113 215.530 -14.882 -16.440 1.00 0.00 C ATOM 1802 OE1 GLU A 113 215.245 -13.696 -16.173 1.00 0.00 O ATOM 1803 OE2 GLU A 113 216.676 -15.359 -16.302 1.00 0.00 O ATOM 1804 OXT GLU A 113 213.901 -15.264 -13.085 1.00 0.00 O ATOM 0 H GLU A 113 212.364 -17.888 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 113 215.074 -17.529 -15.116 1.00 0.00 H new ATOM 0 HB2 GLU A 113 212.760 -16.943 -16.286 1.00 0.00 H new ATOM 0 HB3 GLU A 113 212.956 -15.412 -15.456 1.00 0.00 H new ATOM 0 HG2 GLU A 113 214.877 -16.651 -17.453 1.00 0.00 H new ATOM 0 HG3 GLU A 113 213.850 -15.255 -17.713 1.00 0.00 H new TER 1811 GLU A 113