USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 728 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 56 THR OG1 : rot -83:sc= 0.693 USER MOD Set 1.2: A 58 ASN : amide:sc= -2.38 K(o=-1.7,f=-8!) USER MOD Set 2.1: A 6 THR OG1 : rot 105:sc= -0.108 USER MOD Set 2.2: A 38 HIS :FLIP no HD1:sc= -0.235 F(o=-1.2,f=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0384 (180deg=-0.403) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -157:sc= -1.28 (180deg=-2.2!) USER MOD Single : A 4 ASN : amide:sc= -0.0372 X(o=-0.037,f=-0.37) USER MOD Single : A 7 SER OG : rot -105:sc= 0.519 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.87) USER MOD Single : A 10 MET CE :methyl -162:sc= -3.79 (180deg=-5.03!) USER MOD Single : A 13 THR OG1 : rot 170:sc= -1.52 USER MOD Single : A 18 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.053) USER MOD Single : A 19 HIS : no HD1:sc= -5.8 X(o=-5.8,f=-5.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 32 THR OG1 : rot 65:sc= 0.727 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.594 F(o=-1.6!,f=-0.59) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 42 SER OG : rot 140:sc= -0.553 USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= -0.492 (180deg=-2.65!) USER MOD Single : A 46 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.14) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 55 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.5) USER MOD Single : A 64 SER OG : rot -91:sc= -1.15 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.4!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.25! USER MOD Single : A 75 ASN : amide:sc= 1.09 K(o=1.1,f=-0.21) USER MOD Single : A 79 ASN : amide:sc= -1.88 K(o=-1.9,f=-5.2!) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.0602 (180deg=-0.414) USER MOD Single : A 84 GLN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 86 ASN : amide:sc= -8.02! C(o=-8!,f=-16!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.349 -1.708 -6.894 1.00 0.00 N ATOM 2 CA MET A 1 185.144 -0.982 -7.369 1.00 0.00 C ATOM 3 C MET A 1 184.156 -1.931 -8.039 1.00 0.00 C ATOM 4 O MET A 1 183.447 -1.548 -8.969 1.00 0.00 O ATOM 5 CB MET A 1 185.585 0.103 -8.354 1.00 0.00 C ATOM 6 CG MET A 1 186.461 -0.421 -9.483 1.00 0.00 C ATOM 7 SD MET A 1 188.173 0.128 -9.350 1.00 0.00 S ATOM 8 CE MET A 1 188.997 -1.076 -10.389 1.00 0.00 C ATOM 0 H1 MET A 1 186.878 -1.106 -6.231 1.00 0.00 H new ATOM 0 H2 MET A 1 186.060 -2.583 -6.413 1.00 0.00 H new ATOM 0 H3 MET A 1 186.955 -1.944 -7.706 1.00 0.00 H new ATOM 0 HA MET A 1 184.638 -0.532 -6.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 184.701 0.576 -8.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 186.129 0.876 -7.811 1.00 0.00 H new ATOM 0 HG2 MET A 1 186.432 -1.511 -9.483 1.00 0.00 H new ATOM 0 HG3 MET A 1 186.051 -0.091 -10.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 190.067 -0.869 -10.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.828 -2.076 -9.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 188.598 -1.017 -11.402 1.00 0.00 H new ATOM 20 N THR A 2 184.115 -3.171 -7.562 1.00 0.00 N ATOM 21 CA THR A 2 183.210 -4.173 -8.122 1.00 0.00 C ATOM 22 C THR A 2 181.776 -3.980 -7.625 1.00 0.00 C ATOM 23 O THR A 2 180.867 -4.691 -8.051 1.00 0.00 O ATOM 24 CB THR A 2 183.698 -5.578 -7.768 1.00 0.00 C ATOM 25 OG1 THR A 2 185.030 -5.775 -8.211 1.00 0.00 O ATOM 26 CG2 THR A 2 182.849 -6.676 -8.371 1.00 0.00 C ATOM 0 H THR A 2 184.694 -3.507 -6.793 1.00 0.00 H new ATOM 0 HA THR A 2 183.209 -4.049 -9.205 1.00 0.00 H new ATOM 0 HB THR A 2 183.629 -5.641 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.323 -6.679 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 2 183.250 -7.647 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 2 181.825 -6.584 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 2 182.860 -6.589 -9.457 1.00 0.00 H new ATOM 34 N MET A 3 181.582 -3.017 -6.721 1.00 0.00 N ATOM 35 CA MET A 3 180.260 -2.726 -6.158 1.00 0.00 C ATOM 36 C MET A 3 179.461 -4.006 -5.905 1.00 0.00 C ATOM 37 O MET A 3 178.354 -4.172 -6.417 1.00 0.00 O ATOM 38 CB MET A 3 179.479 -1.791 -7.084 1.00 0.00 C ATOM 39 CG MET A 3 179.254 -2.351 -8.478 1.00 0.00 C ATOM 40 SD MET A 3 178.212 -1.285 -9.495 1.00 0.00 S ATOM 41 CE MET A 3 176.916 -0.861 -8.331 1.00 0.00 C ATOM 0 H MET A 3 182.328 -2.422 -6.361 1.00 0.00 H new ATOM 0 HA MET A 3 180.412 -2.232 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 3 178.512 -1.572 -6.631 1.00 0.00 H new ATOM 0 HB3 MET A 3 180.015 -0.845 -7.165 1.00 0.00 H new ATOM 0 HG2 MET A 3 180.217 -2.488 -8.970 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.793 -3.336 -8.400 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.018 -0.569 -8.876 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.695 -1.724 -7.703 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.246 -0.032 -7.705 1.00 0.00 H new ATOM 51 N ASN A 4 180.032 -4.907 -5.113 1.00 0.00 N ATOM 52 CA ASN A 4 179.376 -6.171 -4.796 1.00 0.00 C ATOM 53 C ASN A 4 178.214 -5.958 -3.830 1.00 0.00 C ATOM 54 O ASN A 4 178.278 -5.108 -2.943 1.00 0.00 O ATOM 55 CB ASN A 4 180.385 -7.155 -4.196 1.00 0.00 C ATOM 56 CG ASN A 4 180.491 -8.438 -5.000 1.00 0.00 C ATOM 57 OD1 ASN A 4 179.491 -8.956 -5.495 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.706 -8.955 -5.130 1.00 0.00 N ATOM 0 H ASN A 4 180.947 -4.786 -4.679 1.00 0.00 H new ATOM 0 HA ASN A 4 178.978 -6.588 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.365 -6.680 -4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.092 -7.393 -3.174 1.00 0.00 H new ATOM 0 HD21 ASN A 4 181.839 -9.817 -5.658 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.507 -8.490 -4.702 1.00 0.00 H new ATOM 65 N ILE A 5 177.153 -6.739 -4.011 1.00 0.00 N ATOM 66 CA ILE A 5 175.973 -6.642 -3.156 1.00 0.00 C ATOM 67 C ILE A 5 175.486 -8.026 -2.744 1.00 0.00 C ATOM 68 O ILE A 5 175.449 -8.948 -3.558 1.00 0.00 O ATOM 69 CB ILE A 5 174.816 -5.890 -3.851 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.349 -4.945 -4.932 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.000 -5.116 -2.828 1.00 0.00 C ATOM 72 CD1 ILE A 5 175.514 -5.606 -6.284 1.00 0.00 C ATOM 0 H ILE A 5 177.086 -7.447 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 5 176.274 -6.079 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 5 174.171 -6.626 -4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.669 -4.099 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.311 -4.545 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.188 -4.591 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.585 -5.808 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.641 -4.393 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.895 -4.878 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 5 176.217 -6.435 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.549 -5.981 -6.626 1.00 0.00 H new ATOM 84 N THR A 6 175.113 -8.167 -1.476 1.00 0.00 N ATOM 85 CA THR A 6 174.628 -9.445 -0.963 1.00 0.00 C ATOM 86 C THR A 6 173.594 -9.236 0.138 1.00 0.00 C ATOM 87 O THR A 6 173.929 -9.211 1.322 1.00 0.00 O ATOM 88 CB THR A 6 175.795 -10.276 -0.427 1.00 0.00 C ATOM 89 OG1 THR A 6 177.011 -9.894 -1.047 1.00 0.00 O ATOM 90 CG2 THR A 6 175.618 -11.764 -0.645 1.00 0.00 C ATOM 0 H THR A 6 175.137 -7.416 -0.787 1.00 0.00 H new ATOM 0 HA THR A 6 174.153 -9.980 -1.785 1.00 0.00 H new ATOM 0 HB THR A 6 175.820 -10.081 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.548 -9.368 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.480 -12.296 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.714 -12.101 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.532 -11.968 -1.712 1.00 0.00 H new ATOM 98 N SER A 7 172.335 -9.092 -0.259 1.00 0.00 N ATOM 99 CA SER A 7 171.250 -8.893 0.696 1.00 0.00 C ATOM 100 C SER A 7 170.684 -10.232 1.156 1.00 0.00 C ATOM 101 O SER A 7 170.752 -11.227 0.432 1.00 0.00 O ATOM 102 CB SER A 7 170.146 -8.036 0.073 1.00 0.00 C ATOM 103 OG SER A 7 170.620 -6.730 -0.213 1.00 0.00 O ATOM 0 H SER A 7 172.040 -9.109 -1.235 1.00 0.00 H new ATOM 0 HA SER A 7 171.650 -8.373 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.788 -8.506 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.297 -7.978 0.754 1.00 0.00 H new ATOM 0 HG SER A 7 170.268 -6.101 0.451 1.00 0.00 H new ATOM 109 N LYS A 8 170.140 -10.256 2.369 1.00 0.00 N ATOM 110 CA LYS A 8 169.578 -11.481 2.927 1.00 0.00 C ATOM 111 C LYS A 8 168.245 -11.836 2.274 1.00 0.00 C ATOM 112 O LYS A 8 168.184 -12.708 1.407 1.00 0.00 O ATOM 113 CB LYS A 8 169.404 -11.343 4.443 1.00 0.00 C ATOM 114 CG LYS A 8 169.254 -12.677 5.156 1.00 0.00 C ATOM 115 CD LYS A 8 168.415 -12.547 6.416 1.00 0.00 C ATOM 116 CE LYS A 8 168.923 -13.460 7.519 1.00 0.00 C ATOM 117 NZ LYS A 8 168.116 -14.707 7.625 1.00 0.00 N ATOM 0 H LYS A 8 170.077 -9.444 2.983 1.00 0.00 H new ATOM 0 HA LYS A 8 170.277 -12.291 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.264 -10.814 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.526 -10.730 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 8 168.792 -13.400 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.239 -13.066 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 8 168.432 -11.513 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 8 167.377 -12.790 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 8 169.965 -13.717 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 8 168.897 -12.929 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 168.495 -15.302 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 167.127 -14.464 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 168.161 -15.227 6.726 1.00 0.00 H new ATOM 131 N GLN A 9 167.178 -11.163 2.695 1.00 0.00 N ATOM 132 CA GLN A 9 165.851 -11.418 2.148 1.00 0.00 C ATOM 133 C GLN A 9 165.456 -10.334 1.156 1.00 0.00 C ATOM 134 O GLN A 9 165.200 -10.610 -0.016 1.00 0.00 O ATOM 135 CB GLN A 9 164.813 -11.497 3.271 1.00 0.00 C ATOM 136 CG GLN A 9 165.302 -12.231 4.511 1.00 0.00 C ATOM 137 CD GLN A 9 165.270 -11.364 5.756 1.00 0.00 C ATOM 138 OE1 GLN A 9 164.875 -11.816 6.830 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.688 -10.112 5.616 1.00 0.00 N ATOM 0 H GLN A 9 167.207 -10.438 3.412 1.00 0.00 H new ATOM 0 HA GLN A 9 165.882 -12.374 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.518 -10.486 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 9 163.921 -11.996 2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.684 -13.114 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 9 166.321 -12.581 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.007 -9.780 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.690 -9.482 6.418 1.00 0.00 H new ATOM 148 N MET A 10 165.405 -9.096 1.635 1.00 0.00 N ATOM 149 CA MET A 10 165.039 -7.968 0.789 1.00 0.00 C ATOM 150 C MET A 10 166.156 -7.641 -0.197 1.00 0.00 C ATOM 151 O MET A 10 167.196 -7.107 0.182 1.00 0.00 O ATOM 152 CB MET A 10 164.721 -6.741 1.645 1.00 0.00 C ATOM 153 CG MET A 10 164.250 -5.550 0.832 1.00 0.00 C ATOM 154 SD MET A 10 162.514 -5.147 1.122 1.00 0.00 S ATOM 155 CE MET A 10 162.667 -3.710 2.181 1.00 0.00 C ATOM 0 H MET A 10 165.612 -8.849 2.603 1.00 0.00 H new ATOM 0 HA MET A 10 164.150 -8.246 0.223 1.00 0.00 H new ATOM 0 HB2 MET A 10 163.952 -7.003 2.372 1.00 0.00 H new ATOM 0 HB3 MET A 10 165.610 -6.459 2.209 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.865 -4.684 1.076 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.398 -5.758 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.723 -3.538 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.457 -3.880 2.913 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.914 -2.837 1.577 1.00 0.00 H new ATOM 165 N GLU A 11 165.928 -7.968 -1.466 1.00 0.00 N ATOM 166 CA GLU A 11 166.912 -7.709 -2.510 1.00 0.00 C ATOM 167 C GLU A 11 167.256 -6.225 -2.576 1.00 0.00 C ATOM 168 O GLU A 11 166.924 -5.461 -1.669 1.00 0.00 O ATOM 169 CB GLU A 11 166.383 -8.191 -3.865 1.00 0.00 C ATOM 170 CG GLU A 11 167.170 -9.356 -4.445 1.00 0.00 C ATOM 171 CD GLU A 11 167.276 -10.522 -3.483 1.00 0.00 C ATOM 172 OE1 GLU A 11 166.472 -10.582 -2.529 1.00 0.00 O ATOM 173 OE2 GLU A 11 168.162 -11.380 -3.684 1.00 0.00 O ATOM 0 H GLU A 11 165.071 -8.412 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 11 167.821 -8.259 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.340 -8.487 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.405 -7.361 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 11 166.691 -9.691 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 11 168.171 -9.017 -4.711 1.00 0.00 H new ATOM 180 N ILE A 12 167.922 -5.820 -3.653 1.00 0.00 N ATOM 181 CA ILE A 12 168.309 -4.424 -3.829 1.00 0.00 C ATOM 182 C ILE A 12 167.315 -3.700 -4.730 1.00 0.00 C ATOM 183 O ILE A 12 167.276 -3.930 -5.939 1.00 0.00 O ATOM 184 CB ILE A 12 169.732 -4.278 -4.424 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.487 -5.611 -4.403 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.514 -3.218 -3.660 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.619 -6.221 -3.024 1.00 0.00 C ATOM 0 H ILE A 12 168.204 -6.436 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 12 168.308 -3.974 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 12 169.630 -3.968 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.974 -6.318 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.483 -5.460 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.512 -3.124 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.997 -2.261 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.593 -3.509 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.165 -7.162 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 12 171.160 -5.535 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.627 -6.407 -2.612 1.00 0.00 H new ATOM 199 N THR A 13 166.512 -2.825 -4.134 1.00 0.00 N ATOM 200 CA THR A 13 165.517 -2.069 -4.883 1.00 0.00 C ATOM 201 C THR A 13 166.182 -1.000 -5.745 1.00 0.00 C ATOM 202 O THR A 13 167.282 -0.541 -5.440 1.00 0.00 O ATOM 203 CB THR A 13 164.517 -1.417 -3.926 1.00 0.00 C ATOM 204 OG1 THR A 13 165.100 -0.306 -3.273 1.00 0.00 O ATOM 205 CG2 THR A 13 164.007 -2.362 -2.859 1.00 0.00 C ATOM 0 H THR A 13 166.531 -2.622 -3.135 1.00 0.00 H new ATOM 0 HA THR A 13 164.987 -2.761 -5.537 1.00 0.00 H new ATOM 0 HB THR A 13 163.677 -1.112 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.406 0.192 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.302 -1.837 -2.214 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.506 -3.207 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.845 -2.723 -2.262 1.00 0.00 H new ATOM 213 N PRO A 14 165.516 -0.584 -6.836 1.00 0.00 N ATOM 214 CA PRO A 14 166.045 0.441 -7.739 1.00 0.00 C ATOM 215 C PRO A 14 166.448 1.705 -6.990 1.00 0.00 C ATOM 216 O PRO A 14 167.418 2.372 -7.347 1.00 0.00 O ATOM 217 CB PRO A 14 164.878 0.730 -8.698 1.00 0.00 C ATOM 218 CG PRO A 14 163.680 0.092 -8.075 1.00 0.00 C ATOM 219 CD PRO A 14 164.200 -1.066 -7.274 1.00 0.00 C ATOM 0 HA PRO A 14 166.947 0.106 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.730 1.803 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.072 0.317 -9.688 1.00 0.00 H new ATOM 0 HG2 PRO A 14 163.147 0.799 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.976 -0.244 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.551 -1.299 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.279 -1.972 -7.875 1.00 0.00 H new ATOM 227 N ALA A 15 165.693 2.026 -5.944 1.00 0.00 N ATOM 228 CA ALA A 15 165.966 3.207 -5.137 1.00 0.00 C ATOM 229 C ALA A 15 167.228 3.020 -4.302 1.00 0.00 C ATOM 230 O ALA A 15 168.105 3.884 -4.280 1.00 0.00 O ATOM 231 CB ALA A 15 164.777 3.516 -4.238 1.00 0.00 C ATOM 0 H ALA A 15 164.886 1.483 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 15 166.128 4.049 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.994 4.401 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.895 3.700 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.590 2.669 -3.578 1.00 0.00 H new ATOM 237 N ILE A 16 167.311 1.887 -3.613 1.00 0.00 N ATOM 238 CA ILE A 16 168.461 1.586 -2.770 1.00 0.00 C ATOM 239 C ILE A 16 169.739 1.462 -3.596 1.00 0.00 C ATOM 240 O ILE A 16 170.803 1.917 -3.177 1.00 0.00 O ATOM 241 CB ILE A 16 168.242 0.289 -1.965 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.949 0.385 -1.155 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.424 0.019 -1.043 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.406 -0.956 -0.716 1.00 0.00 C ATOM 0 H ILE A 16 166.594 1.161 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 16 168.570 2.419 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 16 168.159 -0.542 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.128 1.001 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 16 166.193 0.895 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.248 -0.901 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.332 -0.085 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.539 0.849 -0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.488 -0.808 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.195 -1.568 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.143 -1.460 -0.091 1.00 0.00 H new ATOM 256 N ARG A 17 169.633 0.844 -4.768 1.00 0.00 N ATOM 257 CA ARG A 17 170.792 0.671 -5.636 1.00 0.00 C ATOM 258 C ARG A 17 171.250 2.012 -6.205 1.00 0.00 C ATOM 259 O ARG A 17 172.435 2.214 -6.461 1.00 0.00 O ATOM 260 CB ARG A 17 170.480 -0.324 -6.764 1.00 0.00 C ATOM 261 CG ARG A 17 169.666 0.259 -7.914 1.00 0.00 C ATOM 262 CD ARG A 17 170.428 0.209 -9.232 1.00 0.00 C ATOM 263 NE ARG A 17 171.848 0.523 -9.068 1.00 0.00 N ATOM 264 CZ ARG A 17 172.777 0.255 -9.982 1.00 0.00 C ATOM 265 NH1 ARG A 17 172.444 -0.327 -11.126 1.00 0.00 N ATOM 266 NH2 ARG A 17 174.044 0.570 -9.749 1.00 0.00 N ATOM 0 H ARG A 17 168.764 0.458 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 17 171.607 0.263 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.419 -0.711 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.937 -1.171 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.732 -0.293 -8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.403 1.292 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.327 -0.784 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.982 0.914 -9.934 1.00 0.00 H new ATOM 0 HE ARG A 17 172.143 0.974 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 17 171.471 -0.572 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 17 173.161 -0.530 -11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 17 174.305 1.017 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 17 174.757 0.365 -10.449 1.00 0.00 H new ATOM 280 N GLN A 18 170.303 2.927 -6.397 1.00 0.00 N ATOM 281 CA GLN A 18 170.614 4.247 -6.930 1.00 0.00 C ATOM 282 C GLN A 18 171.248 5.124 -5.855 1.00 0.00 C ATOM 283 O GLN A 18 172.155 5.907 -6.132 1.00 0.00 O ATOM 284 CB GLN A 18 169.350 4.917 -7.471 1.00 0.00 C ATOM 285 CG GLN A 18 168.986 4.485 -8.883 1.00 0.00 C ATOM 286 CD GLN A 18 169.567 5.400 -9.942 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.239 4.947 -10.870 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.311 6.696 -9.809 1.00 0.00 N ATOM 0 H GLN A 18 169.315 2.777 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 18 171.325 4.125 -7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.517 4.692 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 18 169.487 5.998 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 18 169.343 3.469 -9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.901 4.463 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.750 7.027 -9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.676 7.361 -10.491 1.00 0.00 H new ATOM 297 N HIS A 19 170.760 4.982 -4.628 1.00 0.00 N ATOM 298 CA HIS A 19 171.275 5.753 -3.504 1.00 0.00 C ATOM 299 C HIS A 19 172.741 5.415 -3.245 1.00 0.00 C ATOM 300 O HIS A 19 173.623 6.261 -3.400 1.00 0.00 O ATOM 301 CB HIS A 19 170.440 5.470 -2.251 1.00 0.00 C ATOM 302 CG HIS A 19 169.759 6.677 -1.685 1.00 0.00 C ATOM 303 ND1 HIS A 19 170.266 7.410 -0.632 1.00 0.00 N ATOM 304 CD2 HIS A 19 168.589 7.269 -2.019 1.00 0.00 C ATOM 305 CE1 HIS A 19 169.433 8.395 -0.342 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.409 8.331 -1.171 1.00 0.00 N ATOM 0 H HIS A 19 170.007 4.338 -4.387 1.00 0.00 H new ATOM 0 HA HIS A 19 171.205 6.813 -3.749 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.686 4.720 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.086 5.039 -1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 19 167.920 6.961 -2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 19 169.568 9.127 0.440 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.613 8.968 -1.180 1.00 0.00 H new ATOM 315 N VAL A 20 172.991 4.169 -2.850 1.00 0.00 N ATOM 316 CA VAL A 20 174.345 3.709 -2.566 1.00 0.00 C ATOM 317 C VAL A 20 175.261 3.917 -3.772 1.00 0.00 C ATOM 318 O VAL A 20 176.422 4.296 -3.623 1.00 0.00 O ATOM 319 CB VAL A 20 174.350 2.218 -2.138 1.00 0.00 C ATOM 320 CG1 VAL A 20 174.999 1.325 -3.190 1.00 0.00 C ATOM 321 CG2 VAL A 20 175.045 2.052 -0.794 1.00 0.00 C ATOM 0 H VAL A 20 172.270 3.459 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 20 174.727 4.305 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 20 173.311 1.903 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 20 174.981 0.290 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 20 174.449 1.408 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 20 176.031 1.638 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 20 175.039 1.000 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 20 176.075 2.402 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 20 174.519 2.635 -0.038 1.00 0.00 H new ATOM 331 N ALA A 21 174.731 3.668 -4.966 1.00 0.00 N ATOM 332 CA ALA A 21 175.504 3.832 -6.192 1.00 0.00 C ATOM 333 C ALA A 21 176.037 5.255 -6.313 1.00 0.00 C ATOM 334 O ALA A 21 177.150 5.473 -6.794 1.00 0.00 O ATOM 335 CB ALA A 21 174.656 3.478 -7.404 1.00 0.00 C ATOM 0 H ALA A 21 173.772 3.353 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 21 176.356 3.153 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.247 3.605 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.327 2.442 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.786 4.133 -7.443 1.00 0.00 H new ATOM 341 N ASP A 22 175.237 6.219 -5.868 1.00 0.00 N ATOM 342 CA ASP A 22 175.629 7.622 -5.924 1.00 0.00 C ATOM 343 C ASP A 22 176.736 7.915 -4.918 1.00 0.00 C ATOM 344 O ASP A 22 177.640 8.705 -5.191 1.00 0.00 O ATOM 345 CB ASP A 22 174.425 8.525 -5.651 1.00 0.00 C ATOM 346 CG ASP A 22 173.313 8.329 -6.660 1.00 0.00 C ATOM 347 OD1 ASP A 22 173.590 7.791 -7.752 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.162 8.714 -6.358 1.00 0.00 O ATOM 0 H ASP A 22 174.315 6.054 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 22 176.006 7.827 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 22 174.043 8.323 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.745 9.567 -5.666 1.00 0.00 H new ATOM 353 N ARG A 23 176.664 7.272 -3.756 1.00 0.00 N ATOM 354 CA ARG A 23 177.677 7.470 -2.718 1.00 0.00 C ATOM 355 C ARG A 23 178.938 6.678 -3.049 1.00 0.00 C ATOM 356 O ARG A 23 180.039 7.228 -3.077 1.00 0.00 O ATOM 357 CB ARG A 23 177.173 7.067 -1.318 1.00 0.00 C ATOM 358 CG ARG A 23 175.675 6.806 -1.209 1.00 0.00 C ATOM 359 CD ARG A 23 174.900 8.078 -0.902 1.00 0.00 C ATOM 360 NE ARG A 23 174.811 8.963 -2.062 1.00 0.00 N ATOM 361 CZ ARG A 23 175.615 10.004 -2.272 1.00 0.00 C ATOM 362 NH1 ARG A 23 176.593 10.285 -1.419 1.00 0.00 N ATOM 363 NH2 ARG A 23 175.442 10.768 -3.341 1.00 0.00 N ATOM 0 H ARG A 23 175.924 6.615 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 23 177.901 8.537 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 23 177.704 6.168 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 23 177.439 7.856 -0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.312 6.376 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 23 175.490 6.070 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 23 173.896 7.818 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 23 175.383 8.606 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 23 174.087 8.771 -2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 23 176.734 9.701 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 23 177.204 11.084 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 23 174.694 10.559 -4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 23 176.057 11.565 -3.503 1.00 0.00 H new ATOM 377 N LEU A 24 178.766 5.383 -3.293 1.00 0.00 N ATOM 378 CA LEU A 24 179.882 4.501 -3.618 1.00 0.00 C ATOM 379 C LEU A 24 180.751 5.082 -4.731 1.00 0.00 C ATOM 380 O LEU A 24 181.975 5.134 -4.611 1.00 0.00 O ATOM 381 CB LEU A 24 179.360 3.121 -4.032 1.00 0.00 C ATOM 382 CG LEU A 24 180.413 2.012 -4.058 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.131 1.928 -2.719 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.770 0.678 -4.404 1.00 0.00 C ATOM 0 H LEU A 24 177.858 4.918 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 24 180.499 4.404 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.564 2.830 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.913 3.201 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 24 181.148 2.250 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.877 1.134 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.623 2.878 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.409 1.712 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.533 -0.101 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.015 0.433 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.300 0.744 -5.385 1.00 0.00 H new ATOM 396 N ALA A 25 180.114 5.515 -5.813 1.00 0.00 N ATOM 397 CA ALA A 25 180.833 6.088 -6.946 1.00 0.00 C ATOM 398 C ALA A 25 181.480 7.420 -6.580 1.00 0.00 C ATOM 399 O ALA A 25 182.671 7.628 -6.812 1.00 0.00 O ATOM 400 CB ALA A 25 179.896 6.262 -8.131 1.00 0.00 C ATOM 0 H ALA A 25 179.101 5.480 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 25 181.629 5.396 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.445 6.690 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.491 5.292 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 25 179.079 6.928 -7.854 1.00 0.00 H new ATOM 406 N LYS A 26 180.687 8.323 -6.013 1.00 0.00 N ATOM 407 CA LYS A 26 181.182 9.638 -5.620 1.00 0.00 C ATOM 408 C LYS A 26 182.268 9.528 -4.551 1.00 0.00 C ATOM 409 O LYS A 26 183.096 10.427 -4.402 1.00 0.00 O ATOM 410 CB LYS A 26 180.033 10.507 -5.108 1.00 0.00 C ATOM 411 CG LYS A 26 179.182 11.108 -6.214 1.00 0.00 C ATOM 412 CD LYS A 26 179.631 12.519 -6.562 1.00 0.00 C ATOM 413 CE LYS A 26 180.941 12.513 -7.333 1.00 0.00 C ATOM 414 NZ LYS A 26 181.081 13.713 -8.204 1.00 0.00 N ATOM 0 H LYS A 26 179.698 8.169 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 26 181.620 10.105 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.397 9.906 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.442 11.312 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.240 10.478 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.138 11.124 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.861 13.011 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 26 179.749 13.100 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 26 181.774 12.475 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 26 180.998 11.612 -7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 181.988 13.670 -8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 180.300 13.737 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 181.053 14.572 -7.619 1.00 0.00 H new ATOM 428 N LEU A 27 182.259 8.426 -3.805 1.00 0.00 N ATOM 429 CA LEU A 27 183.246 8.210 -2.750 1.00 0.00 C ATOM 430 C LEU A 27 184.668 8.257 -3.306 1.00 0.00 C ATOM 431 O LEU A 27 185.622 8.497 -2.565 1.00 0.00 O ATOM 432 CB LEU A 27 183.004 6.867 -2.058 1.00 0.00 C ATOM 433 CG LEU A 27 183.289 6.853 -0.554 1.00 0.00 C ATOM 434 CD1 LEU A 27 182.404 5.836 0.149 1.00 0.00 C ATOM 435 CD2 LEU A 27 184.760 6.557 -0.293 1.00 0.00 C ATOM 0 H LEU A 27 181.582 7.671 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 27 183.134 9.013 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.966 6.575 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.626 6.111 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 27 183.061 7.840 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 27 182.622 5.841 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 27 181.357 6.094 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 27 182.598 4.843 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.945 6.551 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 27 185.015 5.583 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 185.375 7.325 -0.763 1.00 0.00 H new ATOM 447 N GLU A 28 184.804 8.028 -4.609 1.00 0.00 N ATOM 448 CA GLU A 28 186.113 8.043 -5.255 1.00 0.00 C ATOM 449 C GLU A 28 186.849 9.356 -4.975 1.00 0.00 C ATOM 450 O GLU A 28 188.079 9.404 -4.999 1.00 0.00 O ATOM 451 CB GLU A 28 185.958 7.810 -6.767 1.00 0.00 C ATOM 452 CG GLU A 28 186.434 8.966 -7.640 1.00 0.00 C ATOM 453 CD GLU A 28 186.184 8.724 -9.116 1.00 0.00 C ATOM 454 OE1 GLU A 28 185.099 8.206 -9.457 1.00 0.00 O ATOM 455 OE2 GLU A 28 187.071 9.052 -9.930 1.00 0.00 O ATOM 0 H GLU A 28 184.025 7.830 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 28 186.714 7.234 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 28 186.512 6.913 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.908 7.615 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.926 9.880 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 28 187.500 9.124 -7.477 1.00 0.00 H new ATOM 462 N LYS A 29 186.088 10.414 -4.709 1.00 0.00 N ATOM 463 CA LYS A 29 186.671 11.721 -4.424 1.00 0.00 C ATOM 464 C LYS A 29 187.400 11.720 -3.079 1.00 0.00 C ATOM 465 O LYS A 29 188.145 12.648 -2.767 1.00 0.00 O ATOM 466 CB LYS A 29 185.583 12.799 -4.435 1.00 0.00 C ATOM 467 CG LYS A 29 186.075 14.175 -4.011 1.00 0.00 C ATOM 468 CD LYS A 29 187.156 14.697 -4.945 1.00 0.00 C ATOM 469 CE LYS A 29 188.159 15.567 -4.204 1.00 0.00 C ATOM 470 NZ LYS A 29 187.552 16.844 -3.737 1.00 0.00 N ATOM 0 H LYS A 29 185.069 10.392 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 29 187.400 11.943 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.163 12.867 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.775 12.492 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.238 14.873 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 29 186.465 14.125 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 29 187.674 13.858 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 186.697 15.273 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 29 188.552 15.018 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 29 189.003 15.785 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 188.269 17.407 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 187.199 17.380 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 186.763 16.638 -3.092 1.00 0.00 H new ATOM 484 N TRP A 30 187.182 10.673 -2.286 1.00 0.00 N ATOM 485 CA TRP A 30 187.820 10.555 -0.980 1.00 0.00 C ATOM 486 C TRP A 30 189.140 9.796 -1.085 1.00 0.00 C ATOM 487 O TRP A 30 189.475 8.992 -0.217 1.00 0.00 O ATOM 488 CB TRP A 30 186.890 9.827 -0.007 1.00 0.00 C ATOM 489 CG TRP A 30 185.830 10.702 0.586 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.525 10.790 0.193 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.981 11.608 1.683 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.855 11.695 0.980 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.728 12.210 1.903 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.055 11.969 2.502 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.520 13.152 2.907 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.847 12.902 3.499 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.589 13.484 3.694 1.00 0.00 C ATOM 0 H TRP A 30 186.568 9.895 -2.527 1.00 0.00 H new ATOM 0 HA TRP A 30 188.023 11.560 -0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.413 8.997 -0.528 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.486 9.398 0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.084 10.230 -0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.870 11.943 0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.030 11.526 2.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.551 13.604 3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.669 13.187 4.139 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.459 14.211 4.482 1.00 0.00 H new ATOM 508 N GLN A 31 189.886 10.040 -2.160 1.00 0.00 N ATOM 509 CA GLN A 31 191.166 9.365 -2.376 1.00 0.00 C ATOM 510 C GLN A 31 191.045 7.849 -2.193 1.00 0.00 C ATOM 511 O GLN A 31 192.051 7.152 -2.061 1.00 0.00 O ATOM 512 CB GLN A 31 192.224 9.923 -1.420 1.00 0.00 C ATOM 513 CG GLN A 31 193.524 10.309 -2.106 1.00 0.00 C ATOM 514 CD GLN A 31 194.675 9.392 -1.737 1.00 0.00 C ATOM 515 OE1 GLN A 31 195.292 8.772 -2.602 1.00 0.00 O ATOM 516 NE2 GLN A 31 194.970 9.303 -0.445 1.00 0.00 N ATOM 0 H GLN A 31 189.628 10.699 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 31 191.470 9.554 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.817 10.798 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.436 9.179 -0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.380 10.288 -3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.781 11.334 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 31 194.432 9.835 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 31 195.735 8.703 -0.137 1.00 0.00 H new ATOM 525 N THR A 32 189.812 7.342 -2.184 1.00 0.00 N ATOM 526 CA THR A 32 189.570 5.914 -2.016 1.00 0.00 C ATOM 527 C THR A 32 189.022 5.305 -3.303 1.00 0.00 C ATOM 528 O THR A 32 188.426 6.002 -4.123 1.00 0.00 O ATOM 529 CB THR A 32 188.588 5.677 -0.867 1.00 0.00 C ATOM 530 OG1 THR A 32 188.752 6.657 0.143 1.00 0.00 O ATOM 531 CG2 THR A 32 188.742 4.321 -0.215 1.00 0.00 C ATOM 0 H THR A 32 188.966 7.902 -2.291 1.00 0.00 H new ATOM 0 HA THR A 32 190.518 5.431 -1.780 1.00 0.00 H new ATOM 0 HB THR A 32 187.598 5.735 -1.320 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.511 7.538 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 32 188.015 4.220 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.573 3.540 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 32 189.749 4.225 0.191 1.00 0.00 H new ATOM 539 N HIS A 33 189.228 4.004 -3.477 1.00 0.00 N ATOM 540 CA HIS A 33 188.752 3.314 -4.673 1.00 0.00 C ATOM 541 C HIS A 33 188.063 1.990 -4.335 1.00 0.00 C ATOM 542 O HIS A 33 187.685 1.247 -5.239 1.00 0.00 O ATOM 543 CB HIS A 33 189.911 3.062 -5.642 1.00 0.00 C ATOM 544 CG HIS A 33 191.191 2.671 -4.969 1.00 0.00 C ATOM 545 ND1 HIS A 33 191.917 3.295 -4.010 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 191.875 1.510 -5.266 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 193.011 2.508 -3.750 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 192.962 1.438 -4.519 1.00 0.00 N flip ATOM 0 H HIS A 33 189.718 3.408 -2.810 1.00 0.00 H new ATOM 0 HA HIS A 33 188.016 3.963 -5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 33 189.624 2.275 -6.340 1.00 0.00 H new ATOM 0 HB3 HIS A 33 190.082 3.963 -6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 33 191.569 0.775 -5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 33 193.787 2.729 -3.032 1.00 0.00 H new ATOM 0 HE2 HIS A 33 193.647 0.683 -4.534 1.00 0.00 H new ATOM 557 N LEU A 34 187.901 1.707 -3.034 1.00 0.00 N ATOM 558 CA LEU A 34 187.254 0.469 -2.558 1.00 0.00 C ATOM 559 C LEU A 34 187.271 -0.636 -3.612 1.00 0.00 C ATOM 560 O LEU A 34 186.447 -0.649 -4.528 1.00 0.00 O ATOM 561 CB LEU A 34 185.807 0.733 -2.100 1.00 0.00 C ATOM 562 CG LEU A 34 185.221 2.109 -2.445 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.995 3.218 -1.750 1.00 0.00 C ATOM 564 CD2 LEU A 34 185.197 2.324 -3.952 1.00 0.00 C ATOM 0 H LEU A 34 188.212 2.324 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 34 187.839 0.127 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 34 185.165 -0.031 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.762 0.604 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 34 184.193 2.139 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.561 4.183 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.944 3.076 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.037 3.191 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 34 184.778 3.306 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 34 186.212 2.267 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 34 184.584 1.554 -4.420 1.00 0.00 H new ATOM 576 N ILE A 35 188.213 -1.564 -3.478 1.00 0.00 N ATOM 577 CA ILE A 35 188.333 -2.672 -4.426 1.00 0.00 C ATOM 578 C ILE A 35 187.150 -3.626 -4.312 1.00 0.00 C ATOM 579 O ILE A 35 186.417 -3.847 -5.280 1.00 0.00 O ATOM 580 CB ILE A 35 189.642 -3.491 -4.247 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.632 -2.793 -3.309 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.291 -3.743 -5.599 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.069 -1.428 -3.795 1.00 0.00 C ATOM 0 H ILE A 35 188.903 -1.573 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 35 188.352 -2.207 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 35 189.373 -4.443 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.176 -2.690 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.512 -3.425 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.207 -4.317 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.604 -4.302 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.528 -2.790 -6.072 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.769 -0.994 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.555 -1.526 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.198 -0.779 -3.889 1.00 0.00 H new ATOM 595 N ASN A 36 186.977 -4.196 -3.123 1.00 0.00 N ATOM 596 CA ASN A 36 185.895 -5.139 -2.876 1.00 0.00 C ATOM 597 C ASN A 36 184.795 -4.515 -2.015 1.00 0.00 C ATOM 598 O ASN A 36 184.608 -4.897 -0.859 1.00 0.00 O ATOM 599 CB ASN A 36 186.446 -6.390 -2.190 1.00 0.00 C ATOM 600 CG ASN A 36 187.574 -7.029 -2.976 1.00 0.00 C ATOM 601 OD1 ASN A 36 187.559 -7.043 -4.206 1.00 0.00 O ATOM 602 ND2 ASN A 36 188.560 -7.562 -2.264 1.00 0.00 N ATOM 0 H ASN A 36 187.574 -4.020 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 36 185.457 -5.410 -3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 36 186.803 -6.128 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.642 -7.114 -2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 36 189.347 -8.006 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.530 -7.527 -1.245 1.00 0.00 H new ATOM 609 N PRO A 37 184.045 -3.545 -2.567 1.00 0.00 N ATOM 610 CA PRO A 37 182.959 -2.877 -1.844 1.00 0.00 C ATOM 611 C PRO A 37 181.728 -3.765 -1.701 1.00 0.00 C ATOM 612 O PRO A 37 180.891 -3.834 -2.601 1.00 0.00 O ATOM 613 CB PRO A 37 182.642 -1.675 -2.732 1.00 0.00 C ATOM 614 CG PRO A 37 182.980 -2.141 -4.099 1.00 0.00 C ATOM 615 CD PRO A 37 184.188 -3.023 -3.941 1.00 0.00 C ATOM 0 HA PRO A 37 183.244 -2.616 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.593 -1.388 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.232 -0.803 -2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.149 -2.690 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.193 -1.299 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.200 -3.826 -4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.115 -2.463 -4.065 1.00 0.00 H new ATOM 623 N HIS A 38 181.623 -4.445 -0.565 1.00 0.00 N ATOM 624 CA HIS A 38 180.492 -5.327 -0.307 1.00 0.00 C ATOM 625 C HIS A 38 179.334 -4.551 0.308 1.00 0.00 C ATOM 626 O HIS A 38 179.537 -3.677 1.150 1.00 0.00 O ATOM 627 CB HIS A 38 180.911 -6.471 0.620 1.00 0.00 C ATOM 628 CG HIS A 38 180.792 -7.824 -0.011 1.00 0.00 C ATOM 629 ND1 HIS A 38 179.831 -8.348 -0.807 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 181.737 -8.815 0.148 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 180.209 -9.632 -1.111 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 181.364 -9.889 -0.523 1.00 0.00 N flip ATOM 0 H HIS A 38 182.307 -4.402 0.191 1.00 0.00 H new ATOM 0 HA HIS A 38 180.161 -5.746 -1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.943 -6.315 0.934 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.296 -6.443 1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 38 182.642 -8.727 0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 38 179.653 -10.320 -1.730 1.00 0.00 H new ATOM 0 HE2 HIS A 38 181.880 -10.767 -0.578 1.00 0.00 H new ATOM 641 N ILE A 39 178.117 -4.871 -0.121 1.00 0.00 N ATOM 642 CA ILE A 39 176.926 -4.202 0.387 1.00 0.00 C ATOM 643 C ILE A 39 175.847 -5.215 0.758 1.00 0.00 C ATOM 644 O ILE A 39 175.309 -5.910 -0.102 1.00 0.00 O ATOM 645 CB ILE A 39 176.358 -3.203 -0.646 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.361 -2.075 -0.896 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.027 -2.632 -0.170 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.344 -2.379 -2.005 1.00 0.00 C ATOM 0 H ILE A 39 177.930 -5.590 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 39 177.223 -3.652 1.280 1.00 0.00 H new ATOM 0 HB ILE A 39 176.186 -3.736 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.817 -1.163 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.912 -1.878 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.645 -1.931 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.311 -3.443 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.172 -2.113 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.025 -1.537 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 39 178.914 -3.273 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.802 -2.547 -2.936 1.00 0.00 H new ATOM 660 N ILE A 40 175.538 -5.288 2.047 1.00 0.00 N ATOM 661 CA ILE A 40 174.522 -6.208 2.538 1.00 0.00 C ATOM 662 C ILE A 40 173.318 -5.446 3.083 1.00 0.00 C ATOM 663 O ILE A 40 173.336 -4.975 4.220 1.00 0.00 O ATOM 664 CB ILE A 40 175.078 -7.125 3.645 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.445 -7.684 3.241 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.104 -8.256 3.940 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.113 -8.495 4.330 1.00 0.00 C ATOM 0 H ILE A 40 175.978 -4.720 2.771 1.00 0.00 H new ATOM 0 HA ILE A 40 174.213 -6.823 1.692 1.00 0.00 H new ATOM 0 HB ILE A 40 175.202 -6.534 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.326 -8.308 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.098 -6.857 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.513 -8.893 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.152 -7.840 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.948 -8.846 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.077 -8.859 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.264 -7.869 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.480 -9.342 4.593 1.00 0.00 H new ATOM 679 N LEU A 41 172.276 -5.322 2.266 1.00 0.00 N ATOM 680 CA LEU A 41 171.072 -4.610 2.676 1.00 0.00 C ATOM 681 C LEU A 41 169.916 -5.584 2.875 1.00 0.00 C ATOM 682 O LEU A 41 169.286 -6.024 1.913 1.00 0.00 O ATOM 683 CB LEU A 41 170.717 -3.550 1.624 1.00 0.00 C ATOM 684 CG LEU A 41 169.248 -3.106 1.583 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.129 -1.618 1.874 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.633 -3.440 0.230 1.00 0.00 C ATOM 0 H LEU A 41 172.242 -5.704 1.321 1.00 0.00 H new ATOM 0 HA LEU A 41 171.258 -4.113 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.337 -2.671 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.986 -3.938 0.641 1.00 0.00 H new ATOM 0 HG LEU A 41 168.701 -3.647 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.080 -1.323 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.533 -1.407 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.688 -1.055 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.591 -3.120 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.183 -2.924 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.684 -4.516 0.063 1.00 0.00 H new ATOM 698 N SER A 42 169.657 -5.932 4.132 1.00 0.00 N ATOM 699 CA SER A 42 168.591 -6.871 4.458 1.00 0.00 C ATOM 700 C SER A 42 167.490 -6.201 5.266 1.00 0.00 C ATOM 701 O SER A 42 167.759 -5.509 6.246 1.00 0.00 O ATOM 702 CB SER A 42 169.158 -8.048 5.251 1.00 0.00 C ATOM 703 OG SER A 42 170.262 -8.631 4.583 1.00 0.00 O ATOM 0 H SER A 42 170.170 -5.578 4.939 1.00 0.00 H new ATOM 0 HA SER A 42 168.162 -7.227 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.466 -7.709 6.240 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.381 -8.798 5.399 1.00 0.00 H new ATOM 0 HG SER A 42 170.953 -8.867 5.237 1.00 0.00 H new ATOM 709 N LYS A 43 166.249 -6.424 4.858 1.00 0.00 N ATOM 710 CA LYS A 43 165.105 -5.848 5.553 1.00 0.00 C ATOM 711 C LYS A 43 164.865 -6.561 6.879 1.00 0.00 C ATOM 712 O LYS A 43 164.466 -7.725 6.903 1.00 0.00 O ATOM 713 CB LYS A 43 163.854 -5.933 4.678 1.00 0.00 C ATOM 714 CG LYS A 43 162.665 -5.169 5.236 1.00 0.00 C ATOM 715 CD LYS A 43 161.364 -5.928 5.024 1.00 0.00 C ATOM 716 CE LYS A 43 160.867 -6.557 6.316 1.00 0.00 C ATOM 717 NZ LYS A 43 161.896 -7.433 6.942 1.00 0.00 N ATOM 0 H LYS A 43 166.008 -6.999 4.051 1.00 0.00 H new ATOM 0 HA LYS A 43 165.322 -4.800 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.089 -5.548 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.577 -6.980 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.814 -4.990 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.600 -4.193 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 43 160.606 -5.249 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.513 -6.705 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.585 -5.771 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 43 159.969 -7.140 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 161.454 -8.323 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 162.645 -7.638 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 162.308 -6.950 7.766 1.00 0.00 H new ATOM 731 N GLU A 44 165.118 -5.861 7.980 1.00 0.00 N ATOM 732 CA GLU A 44 164.934 -6.437 9.307 1.00 0.00 C ATOM 733 C GLU A 44 163.679 -5.888 9.979 1.00 0.00 C ATOM 734 O GLU A 44 163.327 -4.720 9.804 1.00 0.00 O ATOM 735 CB GLU A 44 166.160 -6.162 10.180 1.00 0.00 C ATOM 736 CG GLU A 44 166.973 -7.407 10.497 1.00 0.00 C ATOM 737 CD GLU A 44 167.401 -8.155 9.250 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.500 -7.519 8.180 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.637 -9.378 9.344 1.00 0.00 O ATOM 0 H GLU A 44 165.450 -4.897 7.980 1.00 0.00 H new ATOM 0 HA GLU A 44 164.813 -7.514 9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.800 -5.439 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.835 -5.703 11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.857 -7.124 11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.384 -8.070 11.130 1.00 0.00 H new ATOM 746 N PRO A 45 162.983 -6.732 10.764 1.00 0.00 N ATOM 747 CA PRO A 45 161.763 -6.354 11.472 1.00 0.00 C ATOM 748 C PRO A 45 161.828 -4.952 12.066 1.00 0.00 C ATOM 749 O PRO A 45 160.939 -4.129 11.845 1.00 0.00 O ATOM 750 CB PRO A 45 161.666 -7.385 12.609 1.00 0.00 C ATOM 751 CG PRO A 45 162.782 -8.364 12.402 1.00 0.00 C ATOM 752 CD PRO A 45 163.328 -8.132 11.022 1.00 0.00 C ATOM 0 HA PRO A 45 160.908 -6.344 10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.754 -6.899 13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.700 -7.890 12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.560 -8.224 13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.420 -9.387 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.405 -8.297 10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 45 162.875 -8.801 10.291 1.00 0.00 H new ATOM 760 N GLN A 46 162.871 -4.704 12.846 1.00 0.00 N ATOM 761 CA GLN A 46 163.042 -3.420 13.507 1.00 0.00 C ATOM 762 C GLN A 46 164.051 -2.527 12.786 1.00 0.00 C ATOM 763 O GLN A 46 164.944 -1.956 13.414 1.00 0.00 O ATOM 764 CB GLN A 46 163.480 -3.652 14.952 1.00 0.00 C ATOM 765 CG GLN A 46 162.867 -2.674 15.940 1.00 0.00 C ATOM 766 CD GLN A 46 162.203 -3.368 17.114 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.399 -2.986 18.268 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.416 -4.397 16.823 1.00 0.00 N ATOM 0 H GLN A 46 163.613 -5.378 13.036 1.00 0.00 H new ATOM 0 HA GLN A 46 162.084 -2.900 13.484 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.212 -4.667 15.245 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.566 -3.580 15.009 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.643 -2.004 16.311 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.131 -2.056 15.425 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.283 -4.678 15.852 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.945 -4.906 17.571 1.00 0.00 H new ATOM 777 N GLY A 47 163.895 -2.386 11.472 1.00 0.00 N ATOM 778 CA GLY A 47 164.795 -1.532 10.714 1.00 0.00 C ATOM 779 C GLY A 47 165.594 -2.267 9.652 1.00 0.00 C ATOM 780 O GLY A 47 165.713 -3.493 9.681 1.00 0.00 O ATOM 0 H GLY A 47 163.168 -2.843 10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.215 -0.743 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.486 -1.047 11.403 1.00 0.00 H new ATOM 784 N PHE A 48 166.154 -1.498 8.720 1.00 0.00 N ATOM 785 CA PHE A 48 166.970 -2.046 7.641 1.00 0.00 C ATOM 786 C PHE A 48 168.396 -2.259 8.123 1.00 0.00 C ATOM 787 O PHE A 48 168.940 -1.421 8.845 1.00 0.00 O ATOM 788 CB PHE A 48 166.983 -1.086 6.443 1.00 0.00 C ATOM 789 CG PHE A 48 166.552 -1.703 5.143 1.00 0.00 C ATOM 790 CD1 PHE A 48 166.852 -3.021 4.850 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.855 -0.955 4.211 1.00 0.00 C ATOM 792 CE1 PHE A 48 166.461 -3.584 3.651 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.462 -1.512 3.009 1.00 0.00 C ATOM 794 CZ PHE A 48 165.765 -2.825 2.730 1.00 0.00 C ATOM 0 H PHE A 48 166.055 -0.483 8.692 1.00 0.00 H new ATOM 0 HA PHE A 48 166.541 -3.000 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.330 -0.242 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.990 -0.687 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 48 167.398 -3.616 5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.615 0.076 4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 48 166.699 -4.615 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.918 -0.918 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 48 165.459 -3.262 1.791 1.00 0.00 H new ATOM 804 N VAL A 49 168.997 -3.373 7.714 1.00 0.00 N ATOM 805 CA VAL A 49 170.367 -3.692 8.096 1.00 0.00 C ATOM 806 C VAL A 49 171.306 -3.562 6.902 1.00 0.00 C ATOM 807 O VAL A 49 171.519 -4.521 6.160 1.00 0.00 O ATOM 808 CB VAL A 49 170.477 -5.119 8.664 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.877 -5.374 9.202 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.431 -5.347 9.746 1.00 0.00 C ATOM 0 H VAL A 49 168.554 -4.071 7.116 1.00 0.00 H new ATOM 0 HA VAL A 49 170.656 -2.980 8.869 1.00 0.00 H new ATOM 0 HB VAL A 49 170.289 -5.826 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.935 -6.387 9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.603 -5.257 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.097 -4.660 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.525 -6.361 10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.583 -4.633 10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.435 -5.211 9.324 1.00 0.00 H new ATOM 820 N ALA A 50 171.862 -2.369 6.717 1.00 0.00 N ATOM 821 CA ALA A 50 172.773 -2.117 5.609 1.00 0.00 C ATOM 822 C ALA A 50 174.228 -2.270 6.036 1.00 0.00 C ATOM 823 O ALA A 50 174.868 -1.304 6.453 1.00 0.00 O ATOM 824 CB ALA A 50 172.534 -0.727 5.037 1.00 0.00 C ATOM 0 H ALA A 50 171.697 -1.563 7.320 1.00 0.00 H new ATOM 0 HA ALA A 50 172.573 -2.860 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.221 -0.551 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.507 -0.653 4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.702 0.020 5.813 1.00 0.00 H new ATOM 830 N ASP A 51 174.747 -3.490 5.927 1.00 0.00 N ATOM 831 CA ASP A 51 176.131 -3.769 6.297 1.00 0.00 C ATOM 832 C ASP A 51 177.018 -3.808 5.058 1.00 0.00 C ATOM 833 O ASP A 51 177.243 -4.869 4.476 1.00 0.00 O ATOM 834 CB ASP A 51 176.220 -5.101 7.047 1.00 0.00 C ATOM 835 CG ASP A 51 176.201 -4.919 8.552 1.00 0.00 C ATOM 836 OD1 ASP A 51 177.158 -4.326 9.091 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.228 -5.372 9.191 1.00 0.00 O ATOM 0 H ASP A 51 174.230 -4.300 5.586 1.00 0.00 H new ATOM 0 HA ASP A 51 176.481 -2.970 6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.387 -5.738 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.135 -5.617 6.758 1.00 0.00 H new ATOM 842 N ALA A 52 177.509 -2.642 4.651 1.00 0.00 N ATOM 843 CA ALA A 52 178.361 -2.544 3.472 1.00 0.00 C ATOM 844 C ALA A 52 179.833 -2.405 3.849 1.00 0.00 C ATOM 845 O ALA A 52 180.258 -1.370 4.364 1.00 0.00 O ATOM 846 CB ALA A 52 177.928 -1.369 2.608 1.00 0.00 C ATOM 0 H ALA A 52 177.332 -1.753 5.119 1.00 0.00 H new ATOM 0 HA ALA A 52 178.250 -3.469 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.572 -1.306 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.895 -1.512 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.007 -0.446 3.183 1.00 0.00 H new ATOM 852 N THR A 53 180.609 -3.451 3.579 1.00 0.00 N ATOM 853 CA THR A 53 182.036 -3.443 3.877 1.00 0.00 C ATOM 854 C THR A 53 182.837 -3.050 2.640 1.00 0.00 C ATOM 855 O THR A 53 182.804 -3.740 1.621 1.00 0.00 O ATOM 856 CB THR A 53 182.483 -4.817 4.379 1.00 0.00 C ATOM 857 OG1 THR A 53 181.562 -5.820 3.988 1.00 0.00 O ATOM 858 CG2 THR A 53 182.626 -4.886 5.883 1.00 0.00 C ATOM 0 H THR A 53 180.272 -4.315 3.154 1.00 0.00 H new ATOM 0 HA THR A 53 182.220 -2.707 4.660 1.00 0.00 H new ATOM 0 HB THR A 53 183.461 -4.984 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.867 -6.691 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.945 -5.887 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.369 -4.159 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 53 181.667 -4.662 6.350 1.00 0.00 H new ATOM 866 N ILE A 54 183.551 -1.934 2.734 1.00 0.00 N ATOM 867 CA ILE A 54 184.358 -1.444 1.620 1.00 0.00 C ATOM 868 C ILE A 54 185.845 -1.542 1.927 1.00 0.00 C ATOM 869 O ILE A 54 186.341 -0.893 2.846 1.00 0.00 O ATOM 870 CB ILE A 54 184.022 0.022 1.263 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.569 0.806 2.509 1.00 0.00 C ATOM 872 CG2 ILE A 54 182.972 0.078 0.161 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.065 0.852 2.725 1.00 0.00 C ATOM 0 H ILE A 54 183.588 -1.351 3.570 1.00 0.00 H new ATOM 0 HA ILE A 54 184.117 -2.080 0.768 1.00 0.00 H new ATOM 0 HB ILE A 54 184.928 0.498 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 54 184.034 0.362 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 54 183.942 1.827 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 54 182.749 1.118 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 54 183.352 -0.424 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 54 182.063 -0.420 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.844 1.425 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 54 181.589 1.326 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 54 181.682 -0.162 2.838 1.00 0.00 H new ATOM 885 N ASN A 55 186.549 -2.353 1.144 1.00 0.00 N ATOM 886 CA ASN A 55 187.985 -2.541 1.325 1.00 0.00 C ATOM 887 C ASN A 55 188.767 -1.354 0.774 1.00 0.00 C ATOM 888 O ASN A 55 189.063 -1.289 -0.420 1.00 0.00 O ATOM 889 CB ASN A 55 188.441 -3.828 0.633 1.00 0.00 C ATOM 890 CG ASN A 55 189.742 -4.359 1.205 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.760 -5.380 1.893 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.839 -3.666 0.921 1.00 0.00 N ATOM 0 H ASN A 55 186.148 -2.892 0.376 1.00 0.00 H new ATOM 0 HA ASN A 55 188.182 -2.617 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.665 -4.587 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.565 -3.640 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.744 -3.975 1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.777 -2.825 0.347 1.00 0.00 H new ATOM 899 N THR A 56 189.098 -0.416 1.656 1.00 0.00 N ATOM 900 CA THR A 56 189.847 0.773 1.267 1.00 0.00 C ATOM 901 C THR A 56 191.346 0.559 1.470 1.00 0.00 C ATOM 902 O THR A 56 191.758 -0.281 2.269 1.00 0.00 O ATOM 903 CB THR A 56 189.378 1.982 2.079 1.00 0.00 C ATOM 904 OG1 THR A 56 189.709 1.826 3.446 1.00 0.00 O ATOM 905 CG2 THR A 56 187.886 2.218 1.990 1.00 0.00 C ATOM 0 H THR A 56 188.859 -0.457 2.647 1.00 0.00 H new ATOM 0 HA THR A 56 189.664 0.961 0.209 1.00 0.00 H new ATOM 0 HB THR A 56 189.892 2.840 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.024 1.282 3.888 1.00 0.00 H new ATOM 0 HG21 THR A 56 187.619 3.089 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.606 2.391 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.356 1.343 2.367 1.00 0.00 H new ATOM 913 N PRO A 57 192.186 1.320 0.746 1.00 0.00 N ATOM 914 CA PRO A 57 193.645 1.209 0.852 1.00 0.00 C ATOM 915 C PRO A 57 194.150 1.416 2.279 1.00 0.00 C ATOM 916 O PRO A 57 195.264 1.017 2.614 1.00 0.00 O ATOM 917 CB PRO A 57 194.170 2.322 -0.068 1.00 0.00 C ATOM 918 CG PRO A 57 193.002 3.222 -0.305 1.00 0.00 C ATOM 919 CD PRO A 57 191.787 2.346 -0.231 1.00 0.00 C ATOM 0 HA PRO A 57 193.988 0.213 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 57 194.994 2.862 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.547 1.912 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 57 192.960 4.013 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.074 3.708 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 57 190.908 2.900 0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.543 1.910 -1.200 1.00 0.00 H new ATOM 927 N ASN A 58 193.326 2.041 3.117 1.00 0.00 N ATOM 928 CA ASN A 58 193.701 2.296 4.505 1.00 0.00 C ATOM 929 C ASN A 58 193.104 1.246 5.440 1.00 0.00 C ATOM 930 O ASN A 58 193.655 0.968 6.505 1.00 0.00 O ATOM 931 CB ASN A 58 193.242 3.692 4.933 1.00 0.00 C ATOM 932 CG ASN A 58 191.738 3.859 4.858 1.00 0.00 C ATOM 933 OD1 ASN A 58 190.984 3.031 5.371 1.00 0.00 O ATOM 934 ND2 ASN A 58 191.291 4.934 4.218 1.00 0.00 N ATOM 0 H ASN A 58 192.398 2.379 2.860 1.00 0.00 H new ATOM 0 HA ASN A 58 194.787 2.239 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.575 3.883 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.719 4.438 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 58 190.288 5.099 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 58 191.951 5.595 3.808 1.00 0.00 H new ATOM 941 N GLY A 59 191.978 0.669 5.036 1.00 0.00 N ATOM 942 CA GLY A 59 191.330 -0.343 5.853 1.00 0.00 C ATOM 943 C GLY A 59 189.849 -0.462 5.552 1.00 0.00 C ATOM 944 O GLY A 59 189.148 0.544 5.441 1.00 0.00 O ATOM 0 H GLY A 59 191.502 0.882 4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 59 191.812 -1.306 5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.466 -0.099 6.906 1.00 0.00 H new ATOM 948 N VAL A 60 189.370 -1.696 5.417 1.00 0.00 N ATOM 949 CA VAL A 60 187.962 -1.945 5.121 1.00 0.00 C ATOM 950 C VAL A 60 187.045 -1.109 6.012 1.00 0.00 C ATOM 951 O VAL A 60 187.070 -1.235 7.237 1.00 0.00 O ATOM 952 CB VAL A 60 187.609 -3.438 5.291 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.131 -3.680 5.017 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.469 -4.299 4.379 1.00 0.00 C ATOM 0 H VAL A 60 189.936 -2.539 5.508 1.00 0.00 H new ATOM 0 HA VAL A 60 187.805 -1.656 4.082 1.00 0.00 H new ATOM 0 HB VAL A 60 187.814 -3.719 6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.906 -4.739 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.531 -3.096 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 60 185.896 -3.378 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.205 -5.348 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.299 -4.012 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.520 -4.155 4.628 1.00 0.00 H new ATOM 964 N LEU A 61 186.232 -0.256 5.391 1.00 0.00 N ATOM 965 CA LEU A 61 185.307 0.593 6.134 1.00 0.00 C ATOM 966 C LEU A 61 183.952 -0.093 6.281 1.00 0.00 C ATOM 967 O LEU A 61 183.377 -0.570 5.303 1.00 0.00 O ATOM 968 CB LEU A 61 185.142 1.946 5.440 1.00 0.00 C ATOM 969 CG LEU A 61 186.419 2.782 5.337 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.110 4.159 4.766 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.087 2.907 6.698 1.00 0.00 C ATOM 0 H LEU A 61 186.196 -0.136 4.379 1.00 0.00 H new ATOM 0 HA LEU A 61 185.722 0.761 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 61 184.755 1.777 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.390 2.524 5.978 1.00 0.00 H new ATOM 0 HG LEU A 61 187.108 2.275 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.030 4.740 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.676 4.052 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.402 4.672 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.994 3.505 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 61 186.403 3.391 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.343 1.915 7.070 1.00 0.00 H new ATOM 983 N VAL A 62 183.457 -0.155 7.512 1.00 0.00 N ATOM 984 CA VAL A 62 182.180 -0.803 7.789 1.00 0.00 C ATOM 985 C VAL A 62 181.030 0.199 7.779 1.00 0.00 C ATOM 986 O VAL A 62 180.855 0.970 8.724 1.00 0.00 O ATOM 987 CB VAL A 62 182.212 -1.534 9.147 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.833 -2.065 9.516 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.229 -2.664 9.113 1.00 0.00 C ATOM 0 H VAL A 62 183.920 0.235 8.333 1.00 0.00 H new ATOM 0 HA VAL A 62 182.015 -1.531 6.995 1.00 0.00 H new ATOM 0 HB VAL A 62 182.510 -0.818 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.885 -2.576 10.478 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.130 -1.235 9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.496 -2.765 8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.241 -3.172 10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 62 182.957 -3.375 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.218 -2.257 8.905 1.00 0.00 H new ATOM 999 N ALA A 63 180.244 0.174 6.709 1.00 0.00 N ATOM 1000 CA ALA A 63 179.104 1.070 6.576 1.00 0.00 C ATOM 1001 C ALA A 63 177.830 0.404 7.084 1.00 0.00 C ATOM 1002 O ALA A 63 177.068 -0.170 6.305 1.00 0.00 O ATOM 1003 CB ALA A 63 178.938 1.494 5.125 1.00 0.00 C ATOM 0 H ALA A 63 180.377 -0.459 5.920 1.00 0.00 H new ATOM 0 HA ALA A 63 179.289 1.956 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.083 2.164 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.838 2.010 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.774 0.613 4.505 1.00 0.00 H new ATOM 1009 N SER A 64 177.609 0.474 8.393 1.00 0.00 N ATOM 1010 CA SER A 64 176.430 -0.133 9.001 1.00 0.00 C ATOM 1011 C SER A 64 175.374 0.917 9.332 1.00 0.00 C ATOM 1012 O SER A 64 175.533 1.701 10.267 1.00 0.00 O ATOM 1013 CB SER A 64 176.820 -0.894 10.268 1.00 0.00 C ATOM 1014 OG SER A 64 178.042 -1.588 10.091 1.00 0.00 O ATOM 0 H SER A 64 178.230 0.944 9.052 1.00 0.00 H new ATOM 0 HA SER A 64 176.004 -0.829 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.912 -0.197 11.101 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.032 -1.600 10.529 1.00 0.00 H new ATOM 0 HG SER A 64 177.859 -2.495 9.767 1.00 0.00 H new ATOM 1020 N GLY A 65 174.292 0.921 8.559 1.00 0.00 N ATOM 1021 CA GLY A 65 173.219 1.872 8.787 1.00 0.00 C ATOM 1022 C GLY A 65 171.905 1.188 9.107 1.00 0.00 C ATOM 1023 O GLY A 65 171.370 0.441 8.286 1.00 0.00 O ATOM 0 H GLY A 65 174.139 0.282 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.491 2.534 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.095 2.496 7.902 1.00 0.00 H new ATOM 1027 N LYS A 66 171.381 1.443 10.302 1.00 0.00 N ATOM 1028 CA LYS A 66 170.121 0.842 10.727 1.00 0.00 C ATOM 1029 C LYS A 66 168.987 1.860 10.672 1.00 0.00 C ATOM 1030 O LYS A 66 169.067 2.923 11.287 1.00 0.00 O ATOM 1031 CB LYS A 66 170.252 0.284 12.146 1.00 0.00 C ATOM 1032 CG LYS A 66 170.934 1.238 13.114 1.00 0.00 C ATOM 1033 CD LYS A 66 170.738 0.802 14.557 1.00 0.00 C ATOM 1034 CE LYS A 66 171.709 1.508 15.491 1.00 0.00 C ATOM 1035 NZ LYS A 66 172.653 0.553 16.137 1.00 0.00 N ATOM 0 H LYS A 66 171.808 2.061 10.992 1.00 0.00 H new ATOM 0 HA LYS A 66 169.887 0.027 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.259 0.042 12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.815 -0.649 12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.999 1.286 12.889 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.534 2.243 12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.715 1.015 14.866 1.00 0.00 H new ATOM 0 HD3 LYS A 66 170.877 -0.276 14.634 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.274 2.254 14.931 1.00 0.00 H new ATOM 0 HE3 LYS A 66 171.150 2.042 16.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 173.298 1.074 16.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 172.116 -0.144 16.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 173.205 0.062 15.405 1.00 0.00 H new ATOM 1049 N HIS A 67 167.929 1.531 9.934 1.00 0.00 N ATOM 1050 CA HIS A 67 166.783 2.433 9.811 1.00 0.00 C ATOM 1051 C HIS A 67 165.669 1.812 8.974 1.00 0.00 C ATOM 1052 O HIS A 67 165.900 1.381 7.847 1.00 0.00 O ATOM 1053 CB HIS A 67 167.221 3.761 9.190 1.00 0.00 C ATOM 1054 CG HIS A 67 166.644 4.962 9.873 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.400 5.836 10.624 1.00 0.00 N ATOM 1056 CD2 HIS A 67 165.375 5.434 9.915 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.622 6.794 11.099 1.00 0.00 C ATOM 1058 NE2 HIS A 67 165.389 6.572 10.682 1.00 0.00 N ATOM 0 H HIS A 67 167.840 0.656 9.417 1.00 0.00 H new ATOM 0 HA HIS A 67 166.393 2.612 10.813 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.309 3.825 9.219 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.929 3.775 8.140 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.513 4.996 9.434 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.941 7.617 11.721 1.00 0.00 H new ATOM 0 HE2 HIS A 67 164.578 7.153 10.895 1.00 0.00 H new ATOM 1067 N GLU A 68 164.459 1.774 9.535 1.00 0.00 N ATOM 1068 CA GLU A 68 163.300 1.205 8.841 1.00 0.00 C ATOM 1069 C GLU A 68 163.247 1.651 7.384 1.00 0.00 C ATOM 1070 O GLU A 68 163.106 0.828 6.478 1.00 0.00 O ATOM 1071 CB GLU A 68 162.008 1.604 9.557 1.00 0.00 C ATOM 1072 CG GLU A 68 160.983 0.483 9.625 1.00 0.00 C ATOM 1073 CD GLU A 68 159.671 0.930 10.241 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.704 1.761 11.172 1.00 0.00 O ATOM 1075 OE2 GLU A 68 158.609 0.448 9.791 1.00 0.00 O ATOM 0 H GLU A 68 164.255 2.131 10.469 1.00 0.00 H new ATOM 0 HA GLU A 68 163.402 0.120 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.248 1.928 10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.567 2.459 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 68 160.798 0.103 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 68 161.391 -0.343 10.208 1.00 0.00 H new ATOM 1082 N ASP A 69 163.368 2.952 7.161 1.00 0.00 N ATOM 1083 CA ASP A 69 163.343 3.496 5.809 1.00 0.00 C ATOM 1084 C ASP A 69 164.630 3.139 5.076 1.00 0.00 C ATOM 1085 O ASP A 69 165.715 3.184 5.654 1.00 0.00 O ATOM 1086 CB ASP A 69 163.163 5.013 5.847 1.00 0.00 C ATOM 1087 CG ASP A 69 162.696 5.573 4.518 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.470 5.610 4.286 1.00 0.00 O ATOM 1089 OD2 ASP A 69 163.558 5.975 3.707 1.00 0.00 O ATOM 0 H ASP A 69 163.484 3.650 7.896 1.00 0.00 H new ATOM 0 HA ASP A 69 162.499 3.059 5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.440 5.271 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.107 5.481 6.124 1.00 0.00 H new ATOM 1094 N MET A 70 164.506 2.775 3.805 1.00 0.00 N ATOM 1095 CA MET A 70 165.670 2.401 3.014 1.00 0.00 C ATOM 1096 C MET A 70 166.534 3.619 2.695 1.00 0.00 C ATOM 1097 O MET A 70 167.750 3.590 2.882 1.00 0.00 O ATOM 1098 CB MET A 70 165.239 1.671 1.732 1.00 0.00 C ATOM 1099 CG MET A 70 164.793 2.576 0.590 1.00 0.00 C ATOM 1100 SD MET A 70 163.120 3.211 0.816 1.00 0.00 S ATOM 1101 CE MET A 70 162.238 2.278 -0.433 1.00 0.00 C ATOM 0 H MET A 70 163.618 2.731 3.304 1.00 0.00 H new ATOM 0 HA MET A 70 166.278 1.716 3.605 1.00 0.00 H new ATOM 0 HB2 MET A 70 166.071 1.058 1.385 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.422 0.992 1.977 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.486 3.413 0.503 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.843 2.022 -0.348 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.185 2.558 -0.420 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.659 2.495 -1.415 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.333 1.212 -0.225 1.00 0.00 H new ATOM 1111 N TYR A 71 165.903 4.688 2.223 1.00 0.00 N ATOM 1112 CA TYR A 71 166.628 5.909 1.887 1.00 0.00 C ATOM 1113 C TYR A 71 167.303 6.490 3.122 1.00 0.00 C ATOM 1114 O TYR A 71 168.393 7.059 3.035 1.00 0.00 O ATOM 1115 CB TYR A 71 165.688 6.940 1.258 1.00 0.00 C ATOM 1116 CG TYR A 71 165.604 6.850 -0.253 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.077 5.734 -0.935 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.054 7.886 -0.998 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.005 5.652 -2.308 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.977 7.812 -2.376 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.456 6.693 -3.026 1.00 0.00 C ATOM 1122 OH TYR A 71 165.383 6.615 -4.398 1.00 0.00 O ATOM 0 H TYR A 71 164.896 4.735 2.065 1.00 0.00 H new ATOM 0 HA TYR A 71 167.399 5.657 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.690 6.811 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.023 7.940 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.509 4.916 -0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.680 8.764 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.377 4.777 -2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.545 8.625 -2.941 1.00 0.00 H new ATOM 0 HH TYR A 71 164.969 7.430 -4.750 1.00 0.00 H new ATOM 1132 N THR A 72 166.664 6.329 4.275 1.00 0.00 N ATOM 1133 CA THR A 72 167.230 6.827 5.521 1.00 0.00 C ATOM 1134 C THR A 72 168.401 5.949 5.941 1.00 0.00 C ATOM 1135 O THR A 72 169.364 6.424 6.545 1.00 0.00 O ATOM 1136 CB THR A 72 166.174 6.865 6.625 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.976 7.453 6.151 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.615 7.643 7.847 1.00 0.00 C ATOM 0 H THR A 72 165.762 5.862 4.372 1.00 0.00 H new ATOM 0 HA THR A 72 167.584 7.845 5.358 1.00 0.00 H new ATOM 0 HB THR A 72 166.017 5.825 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.311 7.467 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.820 7.631 8.592 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.512 7.186 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.832 8.673 7.564 1.00 0.00 H new ATOM 1146 N ALA A 73 168.320 4.668 5.592 1.00 0.00 N ATOM 1147 CA ALA A 73 169.383 3.726 5.905 1.00 0.00 C ATOM 1148 C ALA A 73 170.636 4.078 5.117 1.00 0.00 C ATOM 1149 O ALA A 73 171.756 3.826 5.563 1.00 0.00 O ATOM 1150 CB ALA A 73 168.939 2.303 5.604 1.00 0.00 C ATOM 0 H ALA A 73 167.529 4.262 5.093 1.00 0.00 H new ATOM 0 HA ALA A 73 169.611 3.791 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.747 1.611 5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.063 2.060 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.689 2.216 4.547 1.00 0.00 H new ATOM 1156 N ILE A 74 170.439 4.680 3.947 1.00 0.00 N ATOM 1157 CA ILE A 74 171.558 5.090 3.102 1.00 0.00 C ATOM 1158 C ILE A 74 172.250 6.300 3.717 1.00 0.00 C ATOM 1159 O ILE A 74 173.477 6.356 3.796 1.00 0.00 O ATOM 1160 CB ILE A 74 171.135 5.456 1.657 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.790 4.828 1.268 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.218 5.040 0.672 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.823 3.319 1.154 1.00 0.00 C ATOM 0 H ILE A 74 169.519 4.894 3.563 1.00 0.00 H new ATOM 0 HA ILE A 74 172.227 4.232 3.045 1.00 0.00 H new ATOM 0 HB ILE A 74 171.008 6.538 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.042 5.109 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.468 5.247 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.910 5.302 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.147 5.556 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.374 3.963 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.835 2.953 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.545 3.027 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 74 170.113 2.888 2.112 1.00 0.00 H new ATOM 1175 N ASN A 75 171.446 7.269 4.149 1.00 0.00 N ATOM 1176 CA ASN A 75 171.966 8.487 4.759 1.00 0.00 C ATOM 1177 C ASN A 75 172.839 8.161 5.965 1.00 0.00 C ATOM 1178 O ASN A 75 174.025 8.489 5.991 1.00 0.00 O ATOM 1179 CB ASN A 75 170.817 9.404 5.180 1.00 0.00 C ATOM 1180 CG ASN A 75 170.234 10.174 4.010 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.522 11.357 3.826 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.412 9.505 3.211 1.00 0.00 N ATOM 0 H ASN A 75 170.429 7.232 4.087 1.00 0.00 H new ATOM 0 HA ASN A 75 172.578 9.001 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.032 8.808 5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.174 10.107 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.991 9.971 2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.201 8.525 3.401 1.00 0.00 H new ATOM 1189 N GLU A 76 172.250 7.514 6.965 1.00 0.00 N ATOM 1190 CA GLU A 76 172.986 7.147 8.170 1.00 0.00 C ATOM 1191 C GLU A 76 174.197 6.286 7.819 1.00 0.00 C ATOM 1192 O GLU A 76 175.238 6.360 8.472 1.00 0.00 O ATOM 1193 CB GLU A 76 172.074 6.400 9.146 1.00 0.00 C ATOM 1194 CG GLU A 76 172.184 6.898 10.578 1.00 0.00 C ATOM 1195 CD GLU A 76 171.318 6.107 11.540 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.888 4.994 11.174 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.072 6.603 12.660 1.00 0.00 O ATOM 0 H GLU A 76 171.269 7.234 6.966 1.00 0.00 H new ATOM 0 HA GLU A 76 173.337 8.062 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.041 6.498 8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.318 5.338 9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 76 173.224 6.840 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 76 171.896 7.949 10.616 1.00 0.00 H new ATOM 1204 N LEU A 77 174.050 5.472 6.779 1.00 0.00 N ATOM 1205 CA LEU A 77 175.123 4.593 6.330 1.00 0.00 C ATOM 1206 C LEU A 77 176.303 5.399 5.790 1.00 0.00 C ATOM 1207 O LEU A 77 177.440 5.221 6.228 1.00 0.00 O ATOM 1208 CB LEU A 77 174.600 3.636 5.256 1.00 0.00 C ATOM 1209 CG LEU A 77 175.669 2.789 4.559 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.254 1.327 4.516 1.00 0.00 C ATOM 1211 CD2 LEU A 77 175.932 3.312 3.153 1.00 0.00 C ATOM 0 H LEU A 77 173.194 5.403 6.229 1.00 0.00 H new ATOM 0 HA LEU A 77 175.472 4.015 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 77 173.870 2.967 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.071 4.217 4.501 1.00 0.00 H new ATOM 0 HG LEU A 77 176.592 2.864 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.028 0.744 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.120 0.957 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.317 1.231 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.694 2.698 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.012 3.269 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.279 4.344 3.208 1.00 0.00 H new ATOM 1223 N ILE A 78 176.030 6.279 4.831 1.00 0.00 N ATOM 1224 CA ILE A 78 177.073 7.102 4.229 1.00 0.00 C ATOM 1225 C ILE A 78 177.704 8.041 5.259 1.00 0.00 C ATOM 1226 O ILE A 78 178.903 8.316 5.209 1.00 0.00 O ATOM 1227 CB ILE A 78 176.525 7.921 3.033 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.626 8.152 1.995 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.934 9.249 3.493 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.840 8.868 2.545 1.00 0.00 C ATOM 0 H ILE A 78 175.096 6.440 4.455 1.00 0.00 H new ATOM 0 HA ILE A 78 177.843 6.424 3.860 1.00 0.00 H new ATOM 0 HB ILE A 78 175.724 7.344 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.936 7.190 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.217 8.732 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.559 9.799 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.115 9.062 4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.705 9.837 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.577 8.996 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.544 9.845 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 78 179.275 8.279 3.353 1.00 0.00 H new ATOM 1242 N ASN A 79 176.890 8.527 6.191 1.00 0.00 N ATOM 1243 CA ASN A 79 177.370 9.432 7.231 1.00 0.00 C ATOM 1244 C ASN A 79 178.526 8.807 8.007 1.00 0.00 C ATOM 1245 O ASN A 79 179.621 9.367 8.074 1.00 0.00 O ATOM 1246 CB ASN A 79 176.236 9.793 8.190 1.00 0.00 C ATOM 1247 CG ASN A 79 175.100 10.519 7.498 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.117 10.706 6.281 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.104 10.933 8.273 1.00 0.00 N ATOM 0 H ASN A 79 175.895 8.310 6.248 1.00 0.00 H new ATOM 0 HA ASN A 79 177.729 10.340 6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.853 8.884 8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.628 10.419 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.311 11.428 7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.132 10.756 9.277 1.00 0.00 H new ATOM 1256 N LYS A 80 178.272 7.640 8.593 1.00 0.00 N ATOM 1257 CA LYS A 80 179.289 6.937 9.365 1.00 0.00 C ATOM 1258 C LYS A 80 180.538 6.694 8.523 1.00 0.00 C ATOM 1259 O LYS A 80 181.661 6.877 8.991 1.00 0.00 O ATOM 1260 CB LYS A 80 178.738 5.604 9.881 1.00 0.00 C ATOM 1261 CG LYS A 80 179.067 5.334 11.339 1.00 0.00 C ATOM 1262 CD LYS A 80 180.467 4.761 11.496 1.00 0.00 C ATOM 1263 CE LYS A 80 180.755 4.383 12.941 1.00 0.00 C ATOM 1264 NZ LYS A 80 180.332 5.451 13.889 1.00 0.00 N ATOM 0 H LYS A 80 177.372 7.163 8.547 1.00 0.00 H new ATOM 0 HA LYS A 80 179.562 7.562 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.656 5.594 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.138 4.794 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.985 6.259 11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.339 4.638 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 80 180.575 3.882 10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 80 181.201 5.492 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 80 180.236 3.456 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 80 181.822 4.193 13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 180.925 5.412 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 180.439 6.380 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 179.336 5.307 14.153 1.00 0.00 H new ATOM 1278 N LEU A 81 180.330 6.285 7.275 1.00 0.00 N ATOM 1279 CA LEU A 81 181.436 6.019 6.358 1.00 0.00 C ATOM 1280 C LEU A 81 182.370 7.222 6.263 1.00 0.00 C ATOM 1281 O LEU A 81 183.584 7.093 6.422 1.00 0.00 O ATOM 1282 CB LEU A 81 180.897 5.678 4.969 1.00 0.00 C ATOM 1283 CG LEU A 81 180.570 4.203 4.743 1.00 0.00 C ATOM 1284 CD1 LEU A 81 179.597 4.046 3.585 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.843 3.412 4.484 1.00 0.00 C ATOM 0 H LEU A 81 179.405 6.130 6.874 1.00 0.00 H new ATOM 0 HA LEU A 81 182.000 5.172 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.996 6.265 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.631 5.989 4.225 1.00 0.00 H new ATOM 0 HG LEU A 81 180.098 3.810 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 81 179.375 2.989 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 81 178.675 4.583 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 81 180.043 4.453 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 81 181.593 2.363 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.342 3.805 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.508 3.501 5.343 1.00 0.00 H new ATOM 1297 N GLU A 82 181.795 8.392 5.996 1.00 0.00 N ATOM 1298 CA GLU A 82 182.573 9.621 5.874 1.00 0.00 C ATOM 1299 C GLU A 82 183.455 9.837 7.099 1.00 0.00 C ATOM 1300 O GLU A 82 184.681 9.833 7.002 1.00 0.00 O ATOM 1301 CB GLU A 82 181.645 10.822 5.676 1.00 0.00 C ATOM 1302 CG GLU A 82 182.171 11.838 4.675 1.00 0.00 C ATOM 1303 CD GLU A 82 181.113 12.838 4.252 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.365 13.318 5.129 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.033 13.141 3.042 1.00 0.00 O ATOM 0 H GLU A 82 180.792 8.514 5.860 1.00 0.00 H new ATOM 0 HA GLU A 82 183.219 9.524 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.670 10.466 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.493 11.315 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 82 183.015 12.371 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.545 11.316 3.795 1.00 0.00 H new ATOM 1312 N ARG A 83 182.825 10.022 8.257 1.00 0.00 N ATOM 1313 CA ARG A 83 183.561 10.238 9.502 1.00 0.00 C ATOM 1314 C ARG A 83 184.668 9.199 9.666 1.00 0.00 C ATOM 1315 O ARG A 83 185.832 9.541 9.883 1.00 0.00 O ATOM 1316 CB ARG A 83 182.610 10.185 10.699 1.00 0.00 C ATOM 1317 CG ARG A 83 183.063 11.040 11.871 1.00 0.00 C ATOM 1318 CD ARG A 83 182.225 10.773 13.112 1.00 0.00 C ATOM 1319 NE ARG A 83 181.215 11.807 13.325 1.00 0.00 N ATOM 1320 CZ ARG A 83 181.500 13.057 13.689 1.00 0.00 C ATOM 1321 NH1 ARG A 83 182.758 13.430 13.878 1.00 0.00 N ATOM 1322 NH2 ARG A 83 180.521 13.935 13.861 1.00 0.00 N ATOM 0 H ARG A 83 181.810 10.027 8.360 1.00 0.00 H new ATOM 0 HA ARG A 83 184.019 11.226 9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.620 10.513 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.512 9.151 11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 83 184.112 10.836 12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 83 182.992 12.094 11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 83 181.736 9.803 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 83 182.877 10.718 13.984 1.00 0.00 H new ATOM 0 HE ARG A 83 180.236 11.558 13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 83 183.514 12.759 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 83 182.969 14.388 14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 83 179.552 13.653 13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 83 180.737 14.892 14.140 1.00 0.00 H new ATOM 1336 N GLN A 84 184.297 7.928 9.550 1.00 0.00 N ATOM 1337 CA GLN A 84 185.253 6.834 9.676 1.00 0.00 C ATOM 1338 C GLN A 84 186.378 6.981 8.656 1.00 0.00 C ATOM 1339 O GLN A 84 187.558 6.868 8.994 1.00 0.00 O ATOM 1340 CB GLN A 84 184.542 5.490 9.477 1.00 0.00 C ATOM 1341 CG GLN A 84 184.628 4.565 10.679 1.00 0.00 C ATOM 1342 CD GLN A 84 184.067 3.185 10.389 1.00 0.00 C ATOM 1343 OE1 GLN A 84 184.636 2.172 10.796 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.944 3.140 9.680 1.00 0.00 N ATOM 0 H GLN A 84 183.339 7.630 9.368 1.00 0.00 H new ATOM 0 HA GLN A 84 185.685 6.868 10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.493 5.676 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.973 4.987 8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.669 4.473 10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 84 184.084 5.007 11.514 1.00 0.00 H new ATOM 0 HE21 GLN A 84 182.506 4.005 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 84 182.520 2.241 9.453 1.00 0.00 H new ATOM 1353 N LEU A 85 186.000 7.230 7.406 1.00 0.00 N ATOM 1354 CA LEU A 85 186.970 7.389 6.328 1.00 0.00 C ATOM 1355 C LEU A 85 187.896 8.574 6.590 1.00 0.00 C ATOM 1356 O LEU A 85 189.090 8.393 6.814 1.00 0.00 O ATOM 1357 CB LEU A 85 186.251 7.575 4.992 1.00 0.00 C ATOM 1358 CG LEU A 85 187.116 7.337 3.752 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.319 6.627 2.669 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.673 8.655 3.231 1.00 0.00 C ATOM 0 H LEU A 85 185.027 7.326 7.114 1.00 0.00 H new ATOM 0 HA LEU A 85 187.576 6.484 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.399 6.896 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 85 185.853 8.589 4.949 1.00 0.00 H new ATOM 0 HG LEU A 85 187.952 6.697 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.953 6.468 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.971 5.665 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.462 7.239 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.286 8.468 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 85 186.850 9.319 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.283 9.123 4.004 1.00 0.00 H new ATOM 1372 N ASN A 86 187.335 9.783 6.554 1.00 0.00 N ATOM 1373 CA ASN A 86 188.105 11.012 6.778 1.00 0.00 C ATOM 1374 C ASN A 86 189.221 10.811 7.802 1.00 0.00 C ATOM 1375 O ASN A 86 190.356 11.238 7.588 1.00 0.00 O ATOM 1376 CB ASN A 86 187.179 12.135 7.250 1.00 0.00 C ATOM 1377 CG ASN A 86 185.936 12.268 6.393 1.00 0.00 C ATOM 1378 OD1 ASN A 86 185.695 11.461 5.496 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.137 13.293 6.668 1.00 0.00 N ATOM 0 H ASN A 86 186.344 9.940 6.371 1.00 0.00 H new ATOM 0 HA ASN A 86 188.565 11.283 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.885 11.948 8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.725 13.079 7.240 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.285 13.435 6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.376 13.938 7.421 1.00 0.00 H new ATOM 1386 N LYS A 87 188.891 10.171 8.917 1.00 0.00 N ATOM 1387 CA LYS A 87 189.864 9.930 9.977 1.00 0.00 C ATOM 1388 C LYS A 87 190.994 9.015 9.511 1.00 0.00 C ATOM 1389 O LYS A 87 192.135 9.452 9.360 1.00 0.00 O ATOM 1390 CB LYS A 87 189.178 9.322 11.200 1.00 0.00 C ATOM 1391 CG LYS A 87 189.803 9.744 12.519 1.00 0.00 C ATOM 1392 CD LYS A 87 191.323 9.679 12.470 1.00 0.00 C ATOM 1393 CE LYS A 87 191.923 9.611 13.865 1.00 0.00 C ATOM 1394 NZ LYS A 87 192.057 8.208 14.345 1.00 0.00 N ATOM 0 H LYS A 87 187.957 9.809 9.111 1.00 0.00 H new ATOM 0 HA LYS A 87 190.299 10.893 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.127 9.609 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 87 189.212 8.235 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.490 10.760 12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.437 9.099 13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 87 191.633 8.805 11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 87 191.709 10.555 11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 87 192.903 10.089 13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 87 191.296 10.173 14.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 192.470 8.206 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 191.119 7.759 14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 192.676 7.678 13.699 1.00 0.00 H new ATOM 1408 N LEU A 88 190.674 7.742 9.302 1.00 0.00 N ATOM 1409 CA LEU A 88 191.668 6.762 8.869 1.00 0.00 C ATOM 1410 C LEU A 88 192.208 7.079 7.474 1.00 0.00 C ATOM 1411 O LEU A 88 193.188 6.480 7.031 1.00 0.00 O ATOM 1412 CB LEU A 88 191.061 5.357 8.883 1.00 0.00 C ATOM 1413 CG LEU A 88 191.931 4.279 9.531 1.00 0.00 C ATOM 1414 CD1 LEU A 88 191.288 2.910 9.376 1.00 0.00 C ATOM 1415 CD2 LEU A 88 193.328 4.284 8.926 1.00 0.00 C ATOM 0 H LEU A 88 189.735 7.363 9.425 1.00 0.00 H new ATOM 0 HA LEU A 88 192.502 6.808 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.107 5.396 9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.847 5.060 7.856 1.00 0.00 H new ATOM 0 HG LEU A 88 192.016 4.501 10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.921 2.156 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 88 190.310 2.911 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 88 191.171 2.681 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 88 193.932 3.510 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 88 193.262 4.088 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 88 193.792 5.257 9.089 1.00 0.00 H new