USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=25 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 13 THR OG1 : rot -167:sc= -0.291! USER MOD Set 1.2: A 70 MET CE :methyl -165:sc= -0.285 (180deg=-1.01) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.0645 USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= 0.128 F(o=-1.6,f=0.064) USER MOD Set 3.1: A 19 HIS :FLIP no HD1:sc= -4.39 F(o=-6!,f=-4.4) USER MOD Set 3.2: A 75 ASN :FLIP amide:sc= -0.0208 F(o=-6.2,f=-4.4) USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 2 THR OG1 : rot 180:sc= 0.0369 USER MOD Set 5.2: A 36 ASN : amide:sc= -0.0125 K(o=0.024,f=-1.3!) USER MOD Single : A 1 MET CE :methyl -126:sc= -1.42 (180deg=-5.48!) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.131 (180deg=0.123) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.6!) USER MOD Single : A 7 SER OG : rot -119:sc= -0.136 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.304 (180deg=-0.501) USER MOD Single : A 9 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.5) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.53) 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= 0.0114 K(o=0.011,f=-0.91) USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.232 USER MOD Single : A 33 HIS : no HD1:sc= -2.42 X(o=-2.4,f=-2.8!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.724 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0738 X(o=-0.074,f=0) USER MOD Single : A 53 THR OG1 : rot -16:sc= 0.718 USER MOD Single : A 55 ASN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.353 F(o=-1.1,f=-0.35) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -172:sc= -2.08 USER MOD Single : A 79 ASN : amide:sc= -0.0881 X(o=-0.088,f=-0.32) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.047) USER MOD Single : A 84 GLN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.1) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.122) USER MOD Single : A 89 GLN : amide:sc= -0.99 K(o=-0.99,f=-2.8) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -0.145 F(o=-0.78,f=-0.15) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.147 (180deg=-0.995) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 65:sc= 0.129 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.930 -0.122 -7.865 1.00 0.00 N ATOM 2 CA MET A 1 184.616 -0.312 -7.195 1.00 0.00 C ATOM 3 C MET A 1 183.711 -1.231 -8.008 1.00 0.00 C ATOM 4 O MET A 1 182.944 -0.774 -8.855 1.00 0.00 O ATOM 5 CB MET A 1 183.959 1.057 -7.018 1.00 0.00 C ATOM 6 CG MET A 1 183.801 1.831 -8.318 1.00 0.00 C ATOM 7 SD MET A 1 184.755 3.361 -8.343 1.00 0.00 S ATOM 8 CE MET A 1 183.475 4.563 -7.987 1.00 0.00 C ATOM 0 H1 MET A 1 186.506 0.547 -7.316 1.00 0.00 H new ATOM 0 H2 MET A 1 186.424 -1.035 -7.926 1.00 0.00 H new ATOM 0 H3 MET A 1 185.780 0.255 -8.823 1.00 0.00 H new ATOM 0 HA MET A 1 184.772 -0.782 -6.224 1.00 0.00 H new ATOM 0 HB2 MET A 1 182.977 0.923 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 184.554 1.649 -6.323 1.00 0.00 H new ATOM 0 HG2 MET A 1 184.113 1.201 -9.151 1.00 0.00 H new ATOM 0 HG3 MET A 1 182.747 2.063 -8.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 183.473 5.332 -8.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 182.505 4.066 -7.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 183.668 5.023 -7.018 1.00 0.00 H new ATOM 20 N THR A 2 183.805 -2.530 -7.744 1.00 0.00 N ATOM 21 CA THR A 2 182.995 -3.516 -8.451 1.00 0.00 C ATOM 22 C THR A 2 181.519 -3.397 -8.071 1.00 0.00 C ATOM 23 O THR A 2 180.646 -3.898 -8.778 1.00 0.00 O ATOM 24 CB THR A 2 183.496 -4.929 -8.148 1.00 0.00 C ATOM 25 OG1 THR A 2 183.903 -5.037 -6.796 1.00 0.00 O ATOM 26 CG2 THR A 2 184.663 -5.347 -9.015 1.00 0.00 C ATOM 0 H THR A 2 184.434 -2.925 -7.045 1.00 0.00 H new ATOM 0 HA THR A 2 183.090 -3.321 -9.519 1.00 0.00 H new ATOM 0 HB THR A 2 182.653 -5.587 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 2 184.218 -5.948 -6.621 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.970 -6.359 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 2 184.365 -5.322 -10.063 1.00 0.00 H new ATOM 0 HG23 THR A 2 185.496 -4.662 -8.858 1.00 0.00 H new ATOM 34 N MET A 3 181.247 -2.734 -6.949 1.00 0.00 N ATOM 35 CA MET A 3 179.877 -2.554 -6.479 1.00 0.00 C ATOM 36 C MET A 3 179.241 -3.896 -6.130 1.00 0.00 C ATOM 37 O MET A 3 178.408 -4.413 -6.875 1.00 0.00 O ATOM 38 CB MET A 3 179.038 -1.838 -7.540 1.00 0.00 C ATOM 39 CG MET A 3 177.627 -1.507 -7.078 1.00 0.00 C ATOM 40 SD MET A 3 176.370 -1.978 -8.285 1.00 0.00 S ATOM 41 CE MET A 3 175.505 -0.424 -8.496 1.00 0.00 C ATOM 0 H MET A 3 181.957 -2.313 -6.350 1.00 0.00 H new ATOM 0 HA MET A 3 179.907 -1.941 -5.578 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.543 -0.916 -7.829 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.982 -2.464 -8.431 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.429 -2.017 -6.135 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.555 -0.437 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 3 174.696 -0.553 -9.215 1.00 0.00 H new ATOM 0 HE2 MET A 3 175.092 -0.104 -7.539 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.199 0.332 -8.862 1.00 0.00 H new ATOM 51 N ASN A 4 179.642 -4.457 -4.994 1.00 0.00 N ATOM 52 CA ASN A 4 179.114 -5.740 -4.545 1.00 0.00 C ATOM 53 C ASN A 4 178.052 -5.546 -3.468 1.00 0.00 C ATOM 54 O ASN A 4 178.254 -4.798 -2.511 1.00 0.00 O ATOM 55 CB ASN A 4 180.246 -6.621 -4.009 1.00 0.00 C ATOM 56 CG ASN A 4 180.723 -7.635 -5.030 1.00 0.00 C ATOM 57 OD1 ASN A 4 180.054 -7.886 -6.033 1.00 0.00 O ATOM 58 ND2 ASN A 4 181.887 -8.224 -4.780 1.00 0.00 N ATOM 0 H ASN A 4 180.332 -4.043 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 4 178.651 -6.233 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.083 -5.990 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 4 179.904 -7.143 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.260 -8.915 -5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.408 -7.986 -3.936 1.00 0.00 H new ATOM 65 N ILE A 5 176.921 -6.226 -3.627 1.00 0.00 N ATOM 66 CA ILE A 5 175.829 -6.128 -2.664 1.00 0.00 C ATOM 67 C ILE A 5 175.347 -7.513 -2.244 1.00 0.00 C ATOM 68 O ILE A 5 174.942 -8.321 -3.079 1.00 0.00 O ATOM 69 CB ILE A 5 174.635 -5.333 -3.234 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.128 -4.189 -4.129 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.773 -4.799 -2.098 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.065 -3.163 -4.460 1.00 0.00 C ATOM 0 H ILE A 5 176.737 -6.850 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 5 176.222 -5.598 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 5 174.028 -6.001 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.960 -3.688 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 5 175.515 -4.609 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.933 -4.240 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.397 -5.632 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.371 -4.143 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 5 174.493 -2.388 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 5 173.241 -3.648 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.694 -2.713 -3.539 1.00 0.00 H new ATOM 84 N THR A 6 175.398 -7.784 -0.942 1.00 0.00 N ATOM 85 CA THR A 6 174.970 -9.075 -0.411 1.00 0.00 C ATOM 86 C THR A 6 173.884 -8.905 0.647 1.00 0.00 C ATOM 87 O THR A 6 174.176 -8.801 1.837 1.00 0.00 O ATOM 88 CB THR A 6 176.165 -9.821 0.185 1.00 0.00 C ATOM 89 OG1 THR A 6 177.182 -9.995 -0.784 1.00 0.00 O ATOM 90 CG2 THR A 6 175.806 -11.188 0.724 1.00 0.00 C ATOM 0 H THR A 6 175.731 -7.127 -0.236 1.00 0.00 H new ATOM 0 HA THR A 6 174.555 -9.656 -1.234 1.00 0.00 H new ATOM 0 HB THR A 6 176.511 -9.200 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.938 -10.472 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.698 -11.664 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.058 -11.084 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.403 -11.802 -0.081 1.00 0.00 H new ATOM 98 N SER A 7 172.630 -8.884 0.204 1.00 0.00 N ATOM 99 CA SER A 7 171.500 -8.734 1.114 1.00 0.00 C ATOM 100 C SER A 7 170.964 -10.097 1.544 1.00 0.00 C ATOM 101 O SER A 7 171.312 -11.123 0.960 1.00 0.00 O ATOM 102 CB SER A 7 170.388 -7.922 0.446 1.00 0.00 C ATOM 103 OG SER A 7 170.813 -6.593 0.194 1.00 0.00 O ATOM 0 H SER A 7 172.371 -8.969 -0.779 1.00 0.00 H new ATOM 0 HA SER A 7 171.845 -8.204 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.097 -8.398 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.506 -7.911 1.086 1.00 0.00 H new ATOM 0 HG SER A 7 170.240 -5.968 0.684 1.00 0.00 H new ATOM 109 N LYS A 8 170.116 -10.103 2.569 1.00 0.00 N ATOM 110 CA LYS A 8 169.540 -11.347 3.073 1.00 0.00 C ATOM 111 C LYS A 8 168.433 -11.852 2.145 1.00 0.00 C ATOM 112 O LYS A 8 168.685 -12.670 1.260 1.00 0.00 O ATOM 113 CB LYS A 8 168.999 -11.149 4.494 1.00 0.00 C ATOM 114 CG LYS A 8 169.876 -11.771 5.569 1.00 0.00 C ATOM 115 CD LYS A 8 169.623 -13.265 5.699 1.00 0.00 C ATOM 116 CE LYS A 8 170.922 -14.054 5.704 1.00 0.00 C ATOM 117 NZ LYS A 8 171.664 -13.910 4.421 1.00 0.00 N ATOM 0 H LYS A 8 169.813 -9.265 3.065 1.00 0.00 H new ATOM 0 HA LYS A 8 170.328 -12.099 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 8 168.899 -10.082 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.000 -11.580 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.925 -11.598 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.683 -11.284 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.073 -13.463 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 8 168.995 -13.602 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 8 171.550 -13.714 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 8 170.706 -15.107 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 172.408 -14.634 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 171.006 -14.030 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 172.096 -12.965 4.374 1.00 0.00 H new ATOM 131 N GLN A 9 167.211 -11.370 2.353 1.00 0.00 N ATOM 132 CA GLN A 9 166.078 -11.786 1.529 1.00 0.00 C ATOM 133 C GLN A 9 165.227 -10.593 1.092 1.00 0.00 C ATOM 134 O GLN A 9 164.232 -10.761 0.386 1.00 0.00 O ATOM 135 CB GLN A 9 165.213 -12.796 2.291 1.00 0.00 C ATOM 136 CG GLN A 9 164.383 -12.177 3.404 1.00 0.00 C ATOM 137 CD GLN A 9 165.235 -11.642 4.538 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.784 -12.405 5.333 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.347 -10.321 4.621 1.00 0.00 N ATOM 0 H GLN A 9 166.979 -10.694 3.081 1.00 0.00 H new ATOM 0 HA GLN A 9 166.478 -12.256 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.546 -13.293 1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.858 -13.565 2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 9 163.779 -11.367 2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.692 -12.924 3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 9 164.875 -9.725 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.905 -9.902 5.365 1.00 0.00 H new ATOM 148 N MET A 10 165.616 -9.389 1.508 1.00 0.00 N ATOM 149 CA MET A 10 164.879 -8.184 1.149 1.00 0.00 C ATOM 150 C MET A 10 165.250 -7.704 -0.255 1.00 0.00 C ATOM 151 O MET A 10 164.653 -6.761 -0.771 1.00 0.00 O ATOM 152 CB MET A 10 165.152 -7.075 2.168 1.00 0.00 C ATOM 153 CG MET A 10 164.309 -5.828 1.954 1.00 0.00 C ATOM 154 SD MET A 10 162.539 -6.173 1.984 1.00 0.00 S ATOM 155 CE MET A 10 161.899 -4.721 1.154 1.00 0.00 C ATOM 0 H MET A 10 166.436 -9.225 2.092 1.00 0.00 H new ATOM 0 HA MET A 10 163.816 -8.427 1.156 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.966 -7.461 3.170 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.206 -6.803 2.122 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.546 -5.097 2.727 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.571 -5.377 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 10 160.813 -4.786 1.094 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.179 -3.829 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.315 -4.664 0.148 1.00 0.00 H new ATOM 165 N GLU A 11 166.236 -8.362 -0.864 1.00 0.00 N ATOM 166 CA GLU A 11 166.692 -8.010 -2.206 1.00 0.00 C ATOM 167 C GLU A 11 167.004 -6.518 -2.314 1.00 0.00 C ATOM 168 O GLU A 11 166.819 -5.763 -1.360 1.00 0.00 O ATOM 169 CB GLU A 11 165.650 -8.435 -3.255 1.00 0.00 C ATOM 170 CG GLU A 11 164.638 -7.356 -3.631 1.00 0.00 C ATOM 171 CD GLU A 11 163.218 -7.886 -3.695 1.00 0.00 C ATOM 172 OE1 GLU A 11 163.049 -9.121 -3.772 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.277 -7.067 -3.669 1.00 0.00 O ATOM 0 H GLU A 11 166.736 -9.146 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 11 167.618 -8.551 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.173 -8.752 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.110 -9.303 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.687 -6.547 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.907 -6.931 -4.598 1.00 0.00 H new ATOM 180 N ILE A 12 167.484 -6.102 -3.481 1.00 0.00 N ATOM 181 CA ILE A 12 167.822 -4.703 -3.710 1.00 0.00 C ATOM 182 C ILE A 12 166.747 -4.009 -4.539 1.00 0.00 C ATOM 183 O ILE A 12 166.537 -4.344 -5.704 1.00 0.00 O ATOM 184 CB ILE A 12 169.182 -4.558 -4.424 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.191 -5.570 -3.871 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.712 -3.138 -4.277 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.338 -5.518 -2.365 1.00 0.00 C ATOM 0 H ILE A 12 167.647 -6.713 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 12 167.886 -4.229 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 12 169.038 -4.763 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.883 -6.574 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.163 -5.389 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.672 -3.053 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.003 -2.438 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.841 -2.905 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.068 -6.261 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.676 -4.526 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.376 -5.730 -1.898 1.00 0.00 H new ATOM 199 N THR A 13 166.069 -3.041 -3.930 1.00 0.00 N ATOM 200 CA THR A 13 165.016 -2.301 -4.616 1.00 0.00 C ATOM 201 C THR A 13 165.618 -1.297 -5.597 1.00 0.00 C ATOM 202 O THR A 13 166.773 -0.898 -5.454 1.00 0.00 O ATOM 203 CB THR A 13 164.116 -1.576 -3.606 1.00 0.00 C ATOM 204 OG1 THR A 13 164.622 -0.286 -3.314 1.00 0.00 O ATOM 205 CG2 THR A 13 163.962 -2.315 -2.290 1.00 0.00 C ATOM 0 H THR A 13 166.230 -2.751 -2.965 1.00 0.00 H new ATOM 0 HA THR A 13 164.409 -3.014 -5.173 1.00 0.00 H new ATOM 0 HB THR A 13 163.140 -1.520 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.162 0.076 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.313 -1.744 -1.626 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.522 -3.295 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.940 -2.437 -1.825 1.00 0.00 H new ATOM 213 N PRO A 14 164.843 -0.877 -6.611 1.00 0.00 N ATOM 214 CA PRO A 14 165.310 0.083 -7.613 1.00 0.00 C ATOM 215 C PRO A 14 165.879 1.348 -6.979 1.00 0.00 C ATOM 216 O PRO A 14 166.894 1.878 -7.429 1.00 0.00 O ATOM 217 CB PRO A 14 164.050 0.409 -8.432 1.00 0.00 C ATOM 218 CG PRO A 14 162.906 -0.138 -7.642 1.00 0.00 C ATOM 219 CD PRO A 14 163.457 -1.294 -6.862 1.00 0.00 C ATOM 0 HA PRO A 14 166.122 -0.326 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.946 1.484 -8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.097 -0.046 -9.421 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.494 0.620 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.097 -0.460 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.908 -1.456 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.409 -2.225 -7.428 1.00 0.00 H new ATOM 227 N ALA A 15 165.220 1.824 -5.929 1.00 0.00 N ATOM 228 CA ALA A 15 165.661 3.025 -5.231 1.00 0.00 C ATOM 229 C ALA A 15 167.005 2.802 -4.547 1.00 0.00 C ATOM 230 O ALA A 15 167.915 3.623 -4.664 1.00 0.00 O ATOM 231 CB ALA A 15 164.615 3.457 -4.214 1.00 0.00 C ATOM 0 H ALA A 15 164.378 1.396 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 15 165.786 3.818 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.957 4.355 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.675 3.667 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.462 2.659 -3.488 1.00 0.00 H new ATOM 237 N ILE A 16 167.124 1.689 -3.830 1.00 0.00 N ATOM 238 CA ILE A 16 168.357 1.362 -3.125 1.00 0.00 C ATOM 239 C ILE A 16 169.526 1.213 -4.096 1.00 0.00 C ATOM 240 O ILE A 16 170.595 1.784 -3.882 1.00 0.00 O ATOM 241 CB ILE A 16 168.209 0.068 -2.297 1.00 0.00 C ATOM 242 CG1 ILE A 16 167.022 0.186 -1.340 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.487 -0.223 -1.519 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.787 -1.059 -0.511 1.00 0.00 C ATOM 0 H ILE A 16 166.381 0.999 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 16 168.562 2.190 -2.447 1.00 0.00 H new ATOM 0 HB ILE A 16 168.028 -0.760 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.187 1.032 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 16 166.122 0.405 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.361 -1.139 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.317 -0.343 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.698 0.605 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.930 -0.903 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.590 -1.904 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.671 -1.267 0.091 1.00 0.00 H new ATOM 256 N ARG A 17 169.322 0.443 -5.161 1.00 0.00 N ATOM 257 CA ARG A 17 170.371 0.228 -6.152 1.00 0.00 C ATOM 258 C ARG A 17 170.839 1.556 -6.743 1.00 0.00 C ATOM 259 O ARG A 17 172.013 1.718 -7.080 1.00 0.00 O ATOM 260 CB ARG A 17 169.883 -0.717 -7.259 1.00 0.00 C ATOM 261 CG ARG A 17 168.941 -0.078 -8.270 1.00 0.00 C ATOM 262 CD ARG A 17 169.039 -0.760 -9.624 1.00 0.00 C ATOM 263 NE ARG A 17 167.902 -0.446 -10.486 1.00 0.00 N ATOM 264 CZ ARG A 17 166.759 -1.130 -10.489 1.00 0.00 C ATOM 265 NH1 ARG A 17 166.586 -2.158 -9.668 1.00 0.00 N ATOM 266 NH2 ARG A 17 165.782 -0.782 -11.316 1.00 0.00 N ATOM 0 H ARG A 17 168.446 -0.040 -5.359 1.00 0.00 H new ATOM 0 HA ARG A 17 171.220 -0.239 -5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.750 -1.112 -7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.378 -1.565 -6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 17 167.916 -0.138 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.181 0.980 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 17 169.962 -0.453 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.097 -1.839 -9.482 1.00 0.00 H new ATOM 0 HE ARG A 17 167.989 0.345 -11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 17 167.332 -2.430 -9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 17 165.707 -2.676 -9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 17 165.907 0.008 -11.949 1.00 0.00 H new ATOM 0 HH22 ARG A 17 164.906 -1.305 -11.319 1.00 0.00 H new ATOM 280 N GLN A 18 169.915 2.504 -6.863 1.00 0.00 N ATOM 281 CA GLN A 18 170.235 3.816 -7.410 1.00 0.00 C ATOM 282 C GLN A 18 170.967 4.668 -6.379 1.00 0.00 C ATOM 283 O GLN A 18 171.903 5.395 -6.713 1.00 0.00 O ATOM 284 CB GLN A 18 168.958 4.529 -7.866 1.00 0.00 C ATOM 285 CG GLN A 18 169.115 5.276 -9.181 1.00 0.00 C ATOM 286 CD GLN A 18 169.625 4.388 -10.298 1.00 0.00 C ATOM 287 OE1 GLN A 18 168.878 3.586 -10.860 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.905 4.526 -10.629 1.00 0.00 N ATOM 0 H GLN A 18 168.939 2.387 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 18 170.889 3.675 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.159 3.795 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.649 5.232 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.154 5.701 -9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.803 6.109 -9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 18 171.489 5.203 -10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 18 171.303 3.955 -11.375 1.00 0.00 H new ATOM 297 N HIS A 19 170.540 4.569 -5.124 1.00 0.00 N ATOM 298 CA HIS A 19 171.161 5.327 -4.045 1.00 0.00 C ATOM 299 C HIS A 19 172.625 4.933 -3.883 1.00 0.00 C ATOM 300 O HIS A 19 173.496 5.788 -3.730 1.00 0.00 O ATOM 301 CB HIS A 19 170.405 5.101 -2.733 1.00 0.00 C ATOM 302 CG HIS A 19 169.789 6.348 -2.175 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.720 6.811 -0.904 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 169.140 7.282 -2.956 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 169.040 8.003 -0.941 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 168.702 8.265 -2.190 1.00 0.00 N flip ATOM 0 H HIS A 19 169.767 3.972 -4.830 1.00 0.00 H new ATOM 0 HA HIS A 19 171.115 6.386 -4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.622 4.361 -2.897 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.090 4.682 -1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.010 7.219 -4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 19 168.818 8.625 -0.087 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.190 9.087 -2.509 1.00 0.00 H new ATOM 315 N VAL A 20 172.889 3.630 -3.925 1.00 0.00 N ATOM 316 CA VAL A 20 174.249 3.124 -3.790 1.00 0.00 C ATOM 317 C VAL A 20 175.091 3.505 -5.003 1.00 0.00 C ATOM 318 O VAL A 20 176.276 3.813 -4.877 1.00 0.00 O ATOM 319 CB VAL A 20 174.270 1.591 -3.621 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.687 1.096 -3.380 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.351 1.169 -2.485 1.00 0.00 C ATOM 0 H VAL A 20 172.180 2.908 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 20 174.672 3.580 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 20 173.906 1.138 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.679 0.012 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.316 1.365 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 20 176.084 1.555 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.378 0.084 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.684 1.632 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.332 1.487 -2.704 1.00 0.00 H new ATOM 331 N ALA A 21 174.468 3.489 -6.177 1.00 0.00 N ATOM 332 CA ALA A 21 175.157 3.839 -7.412 1.00 0.00 C ATOM 333 C ALA A 21 175.729 5.251 -7.334 1.00 0.00 C ATOM 334 O ALA A 21 176.915 5.467 -7.584 1.00 0.00 O ATOM 335 CB ALA A 21 174.214 3.713 -8.599 1.00 0.00 C ATOM 0 H ALA A 21 173.487 3.237 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 21 175.985 3.144 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.744 3.978 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.855 2.686 -8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.366 4.385 -8.463 1.00 0.00 H new ATOM 341 N ASP A 22 174.878 6.209 -6.980 1.00 0.00 N ATOM 342 CA ASP A 22 175.299 7.599 -6.864 1.00 0.00 C ATOM 343 C ASP A 22 176.368 7.750 -5.786 1.00 0.00 C ATOM 344 O ASP A 22 177.368 8.439 -5.983 1.00 0.00 O ATOM 345 CB ASP A 22 174.099 8.492 -6.538 1.00 0.00 C ATOM 346 CG ASP A 22 173.312 8.877 -7.775 1.00 0.00 C ATOM 347 OD1 ASP A 22 172.840 7.965 -8.486 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.167 10.090 -8.033 1.00 0.00 O ATOM 0 H ASP A 22 173.893 6.047 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 22 175.722 7.908 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.442 7.973 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.447 9.395 -6.037 1.00 0.00 H new ATOM 353 N ARG A 23 176.149 7.096 -4.650 1.00 0.00 N ATOM 354 CA ARG A 23 177.095 7.153 -3.541 1.00 0.00 C ATOM 355 C ARG A 23 178.438 6.557 -3.947 1.00 0.00 C ATOM 356 O ARG A 23 179.491 7.140 -3.689 1.00 0.00 O ATOM 357 CB ARG A 23 176.535 6.405 -2.330 1.00 0.00 C ATOM 358 CG ARG A 23 177.478 6.377 -1.136 1.00 0.00 C ATOM 359 CD ARG A 23 177.548 4.992 -0.510 1.00 0.00 C ATOM 360 NE ARG A 23 178.791 4.301 -0.846 1.00 0.00 N ATOM 361 CZ ARG A 23 178.980 2.994 -0.678 1.00 0.00 C ATOM 362 NH1 ARG A 23 178.012 2.235 -0.180 1.00 0.00 N ATOM 363 NH2 ARG A 23 180.140 2.445 -1.010 1.00 0.00 N ATOM 0 H ARG A 23 175.325 6.521 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 23 177.247 8.199 -3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.596 6.871 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.303 5.381 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 23 178.475 6.685 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 23 177.143 7.098 -0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 23 177.463 5.079 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 23 176.700 4.398 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 23 179.558 4.852 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 23 177.117 2.652 0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 23 178.163 1.234 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 23 180.887 3.024 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 23 180.286 1.444 -0.882 1.00 0.00 H new ATOM 377 N LEU A 24 178.393 5.391 -4.583 1.00 0.00 N ATOM 378 CA LEU A 24 179.605 4.710 -5.025 1.00 0.00 C ATOM 379 C LEU A 24 180.418 5.592 -5.968 1.00 0.00 C ATOM 380 O LEU A 24 181.650 5.569 -5.947 1.00 0.00 O ATOM 381 CB LEU A 24 179.246 3.396 -5.721 1.00 0.00 C ATOM 382 CG LEU A 24 180.435 2.619 -6.295 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.869 1.520 -5.337 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.083 2.035 -7.657 1.00 0.00 C ATOM 0 H LEU A 24 177.529 4.897 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 24 180.213 4.498 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.724 2.757 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.547 3.610 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 24 181.268 3.310 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.715 0.979 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.163 1.962 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.041 0.830 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.939 1.486 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.234 1.359 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.823 2.842 -8.343 1.00 0.00 H new ATOM 396 N ALA A 25 179.724 6.363 -6.798 1.00 0.00 N ATOM 397 CA ALA A 25 180.385 7.246 -7.751 1.00 0.00 C ATOM 398 C ALA A 25 180.912 8.505 -7.070 1.00 0.00 C ATOM 399 O ALA A 25 182.056 8.905 -7.287 1.00 0.00 O ATOM 400 CB ALA A 25 179.428 7.615 -8.875 1.00 0.00 C ATOM 0 H ALA A 25 178.705 6.394 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 25 181.238 6.711 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.933 8.275 -9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.106 6.710 -9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.559 8.125 -8.460 1.00 0.00 H new ATOM 406 N LYS A 26 180.072 9.128 -6.251 1.00 0.00 N ATOM 407 CA LYS A 26 180.456 10.344 -5.545 1.00 0.00 C ATOM 408 C LYS A 26 181.652 10.095 -4.628 1.00 0.00 C ATOM 409 O LYS A 26 182.561 10.920 -4.541 1.00 0.00 O ATOM 410 CB LYS A 26 179.275 10.881 -4.731 1.00 0.00 C ATOM 411 CG LYS A 26 179.007 12.361 -4.952 1.00 0.00 C ATOM 412 CD LYS A 26 177.850 12.583 -5.915 1.00 0.00 C ATOM 413 CE LYS A 26 176.614 13.098 -5.195 1.00 0.00 C ATOM 414 NZ LYS A 26 175.935 12.026 -4.414 1.00 0.00 N ATOM 0 H LYS A 26 179.122 8.811 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 26 180.745 11.087 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.380 10.316 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.466 10.709 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.783 12.837 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 26 179.905 12.839 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.147 13.296 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.613 11.648 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 26 176.897 13.910 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 26 175.917 13.513 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 175.098 12.420 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 175.642 11.262 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 176.591 11.647 -3.701 1.00 0.00 H new ATOM 428 N LEU A 27 181.643 8.954 -3.948 1.00 0.00 N ATOM 429 CA LEU A 27 182.727 8.599 -3.036 1.00 0.00 C ATOM 430 C LEU A 27 184.058 8.482 -3.777 1.00 0.00 C ATOM 431 O LEU A 27 185.124 8.540 -3.164 1.00 0.00 O ATOM 432 CB LEU A 27 182.407 7.284 -2.320 1.00 0.00 C ATOM 433 CG LEU A 27 182.378 7.371 -0.793 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.489 6.281 -0.214 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.787 7.270 -0.228 1.00 0.00 C ATOM 0 H LEU A 27 180.899 8.259 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 27 182.819 9.395 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.438 6.925 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.147 6.539 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 27 181.963 8.338 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.480 6.358 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.474 6.399 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.875 5.304 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.748 7.334 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.229 6.317 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.395 8.087 -0.618 1.00 0.00 H new ATOM 447 N GLU A 28 183.993 8.312 -5.095 1.00 0.00 N ATOM 448 CA GLU A 28 185.195 8.184 -5.910 1.00 0.00 C ATOM 449 C GLU A 28 186.125 9.381 -5.725 1.00 0.00 C ATOM 450 O GLU A 28 187.326 9.290 -5.979 1.00 0.00 O ATOM 451 CB GLU A 28 184.821 8.041 -7.387 1.00 0.00 C ATOM 452 CG GLU A 28 186.021 7.903 -8.310 1.00 0.00 C ATOM 453 CD GLU A 28 186.809 6.633 -8.056 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.255 5.706 -7.428 1.00 0.00 O ATOM 455 OE2 GLU A 28 187.979 6.566 -8.486 1.00 0.00 O ATOM 0 H GLU A 28 183.120 8.260 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 28 185.724 7.289 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.179 7.168 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.238 8.910 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.681 7.914 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.676 8.765 -8.180 1.00 0.00 H new ATOM 462 N LYS A 29 185.565 10.505 -5.287 1.00 0.00 N ATOM 463 CA LYS A 29 186.354 11.716 -5.081 1.00 0.00 C ATOM 464 C LYS A 29 187.150 11.643 -3.785 1.00 0.00 C ATOM 465 O LYS A 29 188.266 12.156 -3.707 1.00 0.00 O ATOM 466 CB LYS A 29 185.448 12.950 -5.075 1.00 0.00 C ATOM 467 CG LYS A 29 184.509 13.013 -3.880 1.00 0.00 C ATOM 468 CD LYS A 29 185.136 13.765 -2.717 1.00 0.00 C ATOM 469 CE LYS A 29 184.085 14.475 -1.880 1.00 0.00 C ATOM 470 NZ LYS A 29 183.808 15.848 -2.385 1.00 0.00 N ATOM 0 H LYS A 29 184.573 10.603 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 29 187.060 11.799 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 29 186.069 13.846 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.857 12.961 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 29 183.580 13.502 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 29 184.252 12.002 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.692 13.068 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 185.852 14.493 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 29 183.163 13.893 -1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 29 184.422 14.530 -0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 183.086 16.299 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 184.682 16.411 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 183.462 15.794 -3.364 1.00 0.00 H new ATOM 484 N TRP A 30 186.583 10.996 -2.771 1.00 0.00 N ATOM 485 CA TRP A 30 187.260 10.856 -1.487 1.00 0.00 C ATOM 486 C TRP A 30 188.687 10.357 -1.697 1.00 0.00 C ATOM 487 O TRP A 30 189.010 9.821 -2.757 1.00 0.00 O ATOM 488 CB TRP A 30 186.497 9.888 -0.582 1.00 0.00 C ATOM 489 CG TRP A 30 185.475 10.560 0.284 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.168 10.804 -0.028 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.674 11.071 1.606 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.543 11.435 1.020 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.446 11.611 2.034 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.771 11.126 2.470 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.287 12.195 3.289 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.612 11.706 3.714 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.378 12.235 4.113 1.00 0.00 C ATOM 0 H TRP A 30 185.661 10.562 -2.813 1.00 0.00 H new ATOM 0 HA TRP A 30 187.292 11.833 -1.005 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.002 9.139 -1.200 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.208 9.359 0.052 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.695 10.540 -0.962 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.565 11.725 1.040 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.727 10.722 2.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.336 12.602 3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.453 11.752 4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.286 12.684 5.091 1.00 0.00 H new ATOM 508 N GLN A 31 189.536 10.535 -0.694 1.00 0.00 N ATOM 509 CA GLN A 31 190.925 10.097 -0.791 1.00 0.00 C ATOM 510 C GLN A 31 191.013 8.575 -0.804 1.00 0.00 C ATOM 511 O GLN A 31 191.559 7.964 0.115 1.00 0.00 O ATOM 512 CB GLN A 31 191.741 10.651 0.371 1.00 0.00 C ATOM 513 CG GLN A 31 191.983 12.150 0.292 1.00 0.00 C ATOM 514 CD GLN A 31 190.909 12.952 1.000 1.00 0.00 C ATOM 515 OE1 GLN A 31 189.841 13.208 0.445 1.00 0.00 O ATOM 516 NE2 GLN A 31 191.189 13.353 2.235 1.00 0.00 N ATOM 0 H GLN A 31 189.291 10.977 0.192 1.00 0.00 H new ATOM 0 HA GLN A 31 191.334 10.479 -1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.226 10.424 1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.702 10.139 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.953 12.381 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 31 192.027 12.453 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 31 192.088 13.118 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 31 190.505 13.896 2.762 1.00 0.00 H new ATOM 525 N THR A 32 190.468 7.970 -1.851 1.00 0.00 N ATOM 526 CA THR A 32 190.481 6.517 -1.987 1.00 0.00 C ATOM 527 C THR A 32 190.015 6.094 -3.376 1.00 0.00 C ATOM 528 O THR A 32 189.513 6.911 -4.150 1.00 0.00 O ATOM 529 CB THR A 32 189.588 5.873 -0.922 1.00 0.00 C ATOM 530 OG1 THR A 32 188.779 6.846 -0.282 1.00 0.00 O ATOM 531 CG2 THR A 32 190.372 5.144 0.150 1.00 0.00 C ATOM 0 H THR A 32 190.011 8.462 -2.619 1.00 0.00 H new ATOM 0 HA THR A 32 191.507 6.177 -1.847 1.00 0.00 H new ATOM 0 HB THR A 32 188.975 5.149 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.014 6.406 0.144 1.00 0.00 H new ATOM 0 HG21 THR A 32 189.682 4.710 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 32 190.964 4.351 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 32 191.035 5.845 0.656 1.00 0.00 H new ATOM 539 N HIS A 33 190.181 4.812 -3.685 1.00 0.00 N ATOM 540 CA HIS A 33 189.773 4.277 -4.980 1.00 0.00 C ATOM 541 C HIS A 33 188.821 3.091 -4.821 1.00 0.00 C ATOM 542 O HIS A 33 188.413 2.490 -5.811 1.00 0.00 O ATOM 543 CB HIS A 33 191.000 3.858 -5.794 1.00 0.00 C ATOM 544 CG HIS A 33 192.013 3.089 -5.006 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.310 3.521 -4.822 1.00 0.00 N ATOM 546 CD2 HIS A 33 191.919 1.905 -4.355 1.00 0.00 C ATOM 547 CE1 HIS A 33 193.970 2.636 -4.095 1.00 0.00 C ATOM 548 NE2 HIS A 33 193.148 1.647 -3.799 1.00 0.00 N ATOM 0 H HIS A 33 190.595 4.124 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 33 189.243 5.067 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 33 190.674 3.252 -6.639 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.474 4.750 -6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 33 191.041 1.280 -4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.005 2.710 -3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 33 193.387 0.824 -3.246 1.00 0.00 H new ATOM 557 N LEU A 34 188.463 2.778 -3.567 1.00 0.00 N ATOM 558 CA LEU A 34 187.542 1.677 -3.242 1.00 0.00 C ATOM 559 C LEU A 34 187.556 0.563 -4.288 1.00 0.00 C ATOM 560 O LEU A 34 187.034 0.720 -5.390 1.00 0.00 O ATOM 561 CB LEU A 34 186.125 2.225 -3.074 1.00 0.00 C ATOM 562 CG LEU A 34 186.049 3.617 -2.435 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.247 4.565 -3.308 1.00 0.00 C ATOM 564 CD2 LEU A 34 185.458 3.534 -1.039 1.00 0.00 C ATOM 0 H LEU A 34 188.804 3.281 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 34 187.885 1.233 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 185.646 2.262 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.550 1.528 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 34 187.062 4.011 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.205 5.547 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.724 4.651 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 34 184.235 4.178 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.413 4.532 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 34 184.453 3.116 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.084 2.894 -0.417 1.00 0.00 H new ATOM 576 N ILE A 35 188.154 -0.568 -3.928 1.00 0.00 N ATOM 577 CA ILE A 35 188.239 -1.709 -4.834 1.00 0.00 C ATOM 578 C ILE A 35 187.025 -2.621 -4.704 1.00 0.00 C ATOM 579 O ILE A 35 186.270 -2.806 -5.659 1.00 0.00 O ATOM 580 CB ILE A 35 189.512 -2.543 -4.580 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.694 -1.635 -4.224 1.00 0.00 C ATOM 582 CG2 ILE A 35 189.843 -3.390 -5.801 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.863 -2.378 -3.613 1.00 0.00 C ATOM 0 H ILE A 35 188.586 -0.719 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 35 188.273 -1.296 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 35 189.324 -3.206 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.031 -1.121 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.356 -0.869 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.743 -3.973 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.013 -4.064 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.010 -2.740 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.663 -1.674 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.542 -2.870 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.227 -3.126 -4.317 1.00 0.00 H new ATOM 595 N ASN A 36 186.853 -3.205 -3.521 1.00 0.00 N ATOM 596 CA ASN A 36 185.740 -4.114 -3.274 1.00 0.00 C ATOM 597 C ASN A 36 184.726 -3.512 -2.301 1.00 0.00 C ATOM 598 O ASN A 36 184.777 -3.776 -1.100 1.00 0.00 O ATOM 599 CB ASN A 36 186.269 -5.439 -2.724 1.00 0.00 C ATOM 600 CG ASN A 36 186.976 -6.263 -3.781 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.685 -6.149 -4.972 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.914 -7.100 -3.349 1.00 0.00 N ATOM 0 H ASN A 36 187.469 -3.065 -2.721 1.00 0.00 H new ATOM 0 HA ASN A 36 185.229 -4.287 -4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 36 186.957 -5.239 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.440 -6.015 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 36 188.425 -7.680 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.123 -7.162 -2.352 1.00 0.00 H new ATOM 609 N PRO A 37 183.784 -2.699 -2.808 1.00 0.00 N ATOM 610 CA PRO A 37 182.756 -2.066 -1.985 1.00 0.00 C ATOM 611 C PRO A 37 181.559 -2.982 -1.748 1.00 0.00 C ATOM 612 O PRO A 37 180.637 -3.038 -2.563 1.00 0.00 O ATOM 613 CB PRO A 37 182.350 -0.864 -2.829 1.00 0.00 C ATOM 614 CG PRO A 37 182.516 -1.328 -4.236 1.00 0.00 C ATOM 615 CD PRO A 37 183.646 -2.330 -4.230 1.00 0.00 C ATOM 0 HA PRO A 37 183.116 -1.812 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.321 -0.566 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.980 0.001 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.597 -1.783 -4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.744 -0.491 -4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.414 -3.198 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.566 -1.897 -4.622 1.00 0.00 H new ATOM 623 N HIS A 38 181.577 -3.700 -0.630 1.00 0.00 N ATOM 624 CA HIS A 38 180.492 -4.615 -0.289 1.00 0.00 C ATOM 625 C HIS A 38 179.364 -3.881 0.433 1.00 0.00 C ATOM 626 O HIS A 38 179.611 -2.960 1.213 1.00 0.00 O ATOM 627 CB HIS A 38 181.018 -5.760 0.581 1.00 0.00 C ATOM 628 CG HIS A 38 180.939 -7.100 -0.081 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.020 -7.705 -0.687 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.899 -7.954 -0.233 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.649 -8.873 -1.182 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.367 -9.047 -0.919 1.00 0.00 N ATOM 0 H HIS A 38 182.331 -3.666 0.056 1.00 0.00 H new ATOM 0 HA HIS A 38 180.092 -5.028 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.055 -5.556 0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.450 -5.789 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.889 -7.803 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.286 -9.567 -1.711 1.00 0.00 H new ATOM 0 HE2 HIS A 38 179.814 -9.862 -1.183 1.00 0.00 H new ATOM 641 N ILE A 39 178.128 -4.294 0.169 1.00 0.00 N ATOM 642 CA ILE A 39 176.964 -3.676 0.794 1.00 0.00 C ATOM 643 C ILE A 39 175.889 -4.717 1.105 1.00 0.00 C ATOM 644 O ILE A 39 175.268 -5.274 0.199 1.00 0.00 O ATOM 645 CB ILE A 39 176.364 -2.575 -0.106 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.381 -1.453 -0.319 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.082 -2.020 0.502 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.374 -1.738 -1.424 1.00 0.00 C ATOM 0 H ILE A 39 177.907 -5.054 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 39 177.303 -3.224 1.726 1.00 0.00 H new ATOM 0 HB ILE A 39 176.121 -3.016 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.849 -0.530 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.924 -1.284 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.676 -1.245 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.353 -2.823 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.299 -1.594 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.064 -0.899 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 39 178.933 -2.643 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.841 -1.877 -2.365 1.00 0.00 H new ATOM 660 N ILE A 40 175.671 -4.967 2.392 1.00 0.00 N ATOM 661 CA ILE A 40 174.667 -5.933 2.824 1.00 0.00 C ATOM 662 C ILE A 40 173.435 -5.222 3.374 1.00 0.00 C ATOM 663 O ILE A 40 173.405 -4.817 4.537 1.00 0.00 O ATOM 664 CB ILE A 40 175.231 -6.888 3.899 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.422 -7.674 3.340 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.148 -7.839 4.396 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.701 -7.474 4.121 1.00 0.00 C ATOM 0 H ILE A 40 176.176 -4.514 3.154 1.00 0.00 H new ATOM 0 HA ILE A 40 174.385 -6.520 1.950 1.00 0.00 H new ATOM 0 HB ILE A 40 175.574 -6.292 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.174 -8.735 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.588 -7.377 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.566 -8.503 5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.330 -7.264 4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.772 -8.431 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.500 -8.061 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.974 -6.419 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.553 -7.798 5.151 1.00 0.00 H new ATOM 679 N LEU A 41 172.422 -5.068 2.529 1.00 0.00 N ATOM 680 CA LEU A 41 171.185 -4.403 2.925 1.00 0.00 C ATOM 681 C LEU A 41 170.071 -5.421 3.156 1.00 0.00 C ATOM 682 O LEU A 41 169.490 -5.946 2.206 1.00 0.00 O ATOM 683 CB LEU A 41 170.769 -3.389 1.853 1.00 0.00 C ATOM 684 CG LEU A 41 169.326 -2.880 1.955 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.294 -1.360 2.009 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.498 -3.392 0.785 1.00 0.00 C ATOM 0 H LEU A 41 172.433 -5.395 1.563 1.00 0.00 H new ATOM 0 HA LEU A 41 171.360 -3.875 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.443 -2.534 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.907 -3.845 0.873 1.00 0.00 H new ATOM 0 HG LEU A 41 168.892 -3.262 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.261 -1.020 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.851 -1.015 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.747 -0.954 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.477 -3.022 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.933 -3.040 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.491 -4.482 0.794 1.00 0.00 H new ATOM 698 N SER A 42 169.782 -5.697 4.425 1.00 0.00 N ATOM 699 CA SER A 42 168.742 -6.653 4.782 1.00 0.00 C ATOM 700 C SER A 42 167.565 -5.955 5.456 1.00 0.00 C ATOM 701 O SER A 42 167.647 -4.777 5.805 1.00 0.00 O ATOM 702 CB SER A 42 169.310 -7.726 5.712 1.00 0.00 C ATOM 703 OG SER A 42 170.372 -8.429 5.090 1.00 0.00 O ATOM 0 H SER A 42 170.255 -5.271 5.222 1.00 0.00 H new ATOM 0 HA SER A 42 168.385 -7.122 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.666 -7.263 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.521 -8.425 5.991 1.00 0.00 H new ATOM 0 HG SER A 42 170.719 -9.108 5.705 1.00 0.00 H new ATOM 709 N LYS A 43 166.474 -6.691 5.639 1.00 0.00 N ATOM 710 CA LYS A 43 165.281 -6.141 6.276 1.00 0.00 C ATOM 711 C LYS A 43 165.123 -6.687 7.691 1.00 0.00 C ATOM 712 O LYS A 43 164.844 -7.869 7.882 1.00 0.00 O ATOM 713 CB LYS A 43 164.036 -6.468 5.449 1.00 0.00 C ATOM 714 CG LYS A 43 162.757 -5.870 6.013 1.00 0.00 C ATOM 715 CD LYS A 43 161.963 -6.897 6.805 1.00 0.00 C ATOM 716 CE LYS A 43 161.390 -6.297 8.079 1.00 0.00 C ATOM 717 NZ LYS A 43 160.852 -7.342 8.992 1.00 0.00 N ATOM 0 H LYS A 43 166.390 -7.667 5.356 1.00 0.00 H new ATOM 0 HA LYS A 43 165.395 -5.058 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.180 -6.104 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.925 -7.551 5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.002 -5.024 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.144 -5.485 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.153 -7.286 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.606 -7.741 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.165 -5.730 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.597 -5.594 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.471 -6.892 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.094 -7.867 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.614 -7.998 9.256 1.00 0.00 H new ATOM 731 N GLU A 44 165.309 -5.818 8.681 1.00 0.00 N ATOM 732 CA GLU A 44 165.190 -6.219 10.077 1.00 0.00 C ATOM 733 C GLU A 44 163.930 -5.637 10.713 1.00 0.00 C ATOM 734 O GLU A 44 163.499 -4.537 10.369 1.00 0.00 O ATOM 735 CB GLU A 44 166.422 -5.773 10.866 1.00 0.00 C ATOM 736 CG GLU A 44 167.352 -6.917 11.239 1.00 0.00 C ATOM 737 CD GLU A 44 168.252 -6.577 12.411 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.476 -5.373 12.657 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.733 -7.516 13.081 1.00 0.00 O ATOM 0 H GLU A 44 165.542 -4.835 8.542 1.00 0.00 H new ATOM 0 HA GLU A 44 165.119 -7.306 10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.976 -5.043 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.097 -5.268 11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.759 -7.798 11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.966 -7.177 10.377 1.00 0.00 H new ATOM 746 N PRO A 45 163.326 -6.378 11.658 1.00 0.00 N ATOM 747 CA PRO A 45 162.115 -5.957 12.360 1.00 0.00 C ATOM 748 C PRO A 45 162.111 -4.472 12.700 1.00 0.00 C ATOM 749 O PRO A 45 161.135 -3.767 12.445 1.00 0.00 O ATOM 750 CB PRO A 45 162.146 -6.776 13.661 1.00 0.00 C ATOM 751 CG PRO A 45 163.293 -7.736 13.546 1.00 0.00 C ATOM 752 CD PRO A 45 163.773 -7.694 12.123 1.00 0.00 C ATOM 0 HA PRO A 45 161.230 -6.118 11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.274 -6.124 14.525 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.207 -7.312 13.802 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.095 -7.459 14.230 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.978 -8.744 13.815 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.856 -7.797 12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.341 -8.499 11.528 1.00 0.00 H new ATOM 760 N GLN A 46 163.196 -4.018 13.313 1.00 0.00 N ATOM 761 CA GLN A 46 163.313 -2.631 13.732 1.00 0.00 C ATOM 762 C GLN A 46 164.173 -1.803 12.776 1.00 0.00 C ATOM 763 O GLN A 46 165.076 -1.086 13.209 1.00 0.00 O ATOM 764 CB GLN A 46 163.891 -2.584 15.144 1.00 0.00 C ATOM 765 CG GLN A 46 163.309 -1.476 16.007 1.00 0.00 C ATOM 766 CD GLN A 46 162.332 -1.997 17.043 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.378 -1.604 18.209 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.441 -2.886 16.621 1.00 0.00 N ATOM 0 H GLN A 46 164.009 -4.594 13.531 1.00 0.00 H new ATOM 0 HA GLN A 46 162.317 -2.189 13.718 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.714 -3.543 15.631 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.971 -2.453 15.081 1.00 0.00 H new ATOM 0 HG2 GLN A 46 164.119 -0.948 16.510 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.804 -0.751 15.369 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.440 -3.183 15.645 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.758 -3.272 17.273 1.00 0.00 H new ATOM 777 N GLY A 47 163.874 -1.882 11.482 1.00 0.00 N ATOM 778 CA GLY A 47 164.619 -1.106 10.505 1.00 0.00 C ATOM 779 C GLY A 47 165.515 -1.941 9.609 1.00 0.00 C ATOM 780 O GLY A 47 165.791 -3.106 9.897 1.00 0.00 O ATOM 0 H GLY A 47 163.133 -2.466 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.916 -0.552 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.230 -0.371 11.029 1.00 0.00 H new ATOM 784 N PHE A 48 165.974 -1.326 8.519 1.00 0.00 N ATOM 785 CA PHE A 48 166.854 -1.990 7.562 1.00 0.00 C ATOM 786 C PHE A 48 168.273 -2.089 8.109 1.00 0.00 C ATOM 787 O PHE A 48 168.737 -1.187 8.809 1.00 0.00 O ATOM 788 CB PHE A 48 166.887 -1.215 6.238 1.00 0.00 C ATOM 789 CG PHE A 48 165.713 -1.452 5.324 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.847 -2.519 5.516 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.482 -0.595 4.258 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.778 -2.724 4.664 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.416 -0.796 3.405 1.00 0.00 C ATOM 794 CZ PHE A 48 163.562 -1.861 3.607 1.00 0.00 C ATOM 0 H PHE A 48 165.748 -0.361 8.277 1.00 0.00 H new ATOM 0 HA PHE A 48 166.462 -2.993 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.944 -0.150 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.801 -1.478 5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 48 165.010 -3.197 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 48 166.146 0.241 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.112 -3.559 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.250 -0.120 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 48 162.727 -2.019 2.941 1.00 0.00 H new ATOM 804 N VAL A 49 168.958 -3.180 7.776 1.00 0.00 N ATOM 805 CA VAL A 49 170.331 -3.391 8.223 1.00 0.00 C ATOM 806 C VAL A 49 171.306 -3.288 7.054 1.00 0.00 C ATOM 807 O VAL A 49 171.454 -4.230 6.275 1.00 0.00 O ATOM 808 CB VAL A 49 170.510 -4.768 8.888 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.871 -4.864 9.560 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.396 -5.030 9.885 1.00 0.00 C ATOM 0 H VAL A 49 168.584 -3.932 7.197 1.00 0.00 H new ATOM 0 HA VAL A 49 170.543 -2.612 8.955 1.00 0.00 H new ATOM 0 HB VAL A 49 170.458 -5.533 8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.979 -5.844 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.655 -4.727 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.956 -4.090 10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.541 -6.008 10.344 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.411 -4.261 10.657 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.435 -5.009 9.371 1.00 0.00 H new ATOM 820 N ALA A 50 171.968 -2.143 6.935 1.00 0.00 N ATOM 821 CA ALA A 50 172.925 -1.930 5.858 1.00 0.00 C ATOM 822 C ALA A 50 174.351 -2.181 6.333 1.00 0.00 C ATOM 823 O ALA A 50 175.052 -1.255 6.737 1.00 0.00 O ATOM 824 CB ALA A 50 172.792 -0.518 5.303 1.00 0.00 C ATOM 0 H ALA A 50 171.860 -1.351 7.569 1.00 0.00 H new ATOM 0 HA ALA A 50 172.704 -2.643 5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.514 -0.374 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.783 -0.373 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.984 0.204 6.096 1.00 0.00 H new ATOM 830 N ASP A 51 174.775 -3.440 6.283 1.00 0.00 N ATOM 831 CA ASP A 51 176.118 -3.813 6.707 1.00 0.00 C ATOM 832 C ASP A 51 177.070 -3.845 5.517 1.00 0.00 C ATOM 833 O ASP A 51 177.284 -4.895 4.909 1.00 0.00 O ATOM 834 CB ASP A 51 176.100 -5.177 7.400 1.00 0.00 C ATOM 835 CG ASP A 51 175.685 -5.084 8.856 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.474 -3.954 9.344 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.573 -6.143 9.508 1.00 0.00 O ATOM 0 H ASP A 51 174.206 -4.219 5.952 1.00 0.00 H new ATOM 0 HA ASP A 51 176.471 -3.063 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.415 -5.840 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.091 -5.626 7.336 1.00 0.00 H new ATOM 842 N ALA A 52 177.635 -2.690 5.186 1.00 0.00 N ATOM 843 CA ALA A 52 178.559 -2.588 4.064 1.00 0.00 C ATOM 844 C ALA A 52 179.999 -2.799 4.513 1.00 0.00 C ATOM 845 O ALA A 52 180.308 -2.733 5.702 1.00 0.00 O ATOM 846 CB ALA A 52 178.412 -1.236 3.383 1.00 0.00 C ATOM 0 H ALA A 52 177.469 -1.812 5.678 1.00 0.00 H new ATOM 0 HA ALA A 52 178.311 -3.374 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.108 -1.172 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.392 -1.122 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.631 -0.443 4.098 1.00 0.00 H new ATOM 852 N THR A 53 180.876 -3.051 3.548 1.00 0.00 N ATOM 853 CA THR A 53 182.288 -3.272 3.826 1.00 0.00 C ATOM 854 C THR A 53 183.122 -3.022 2.573 1.00 0.00 C ATOM 855 O THR A 53 183.204 -3.876 1.690 1.00 0.00 O ATOM 856 CB THR A 53 182.512 -4.698 4.334 1.00 0.00 C ATOM 857 OG1 THR A 53 181.756 -4.934 5.509 1.00 0.00 O ATOM 858 CG2 THR A 53 183.960 -5.004 4.651 1.00 0.00 C ATOM 0 H THR A 53 180.630 -3.107 2.560 1.00 0.00 H new ATOM 0 HA THR A 53 182.603 -2.571 4.599 1.00 0.00 H new ATOM 0 HB THR A 53 182.193 -5.347 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.465 -4.078 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 53 184.046 -6.031 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.564 -4.879 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 53 184.315 -4.322 5.424 1.00 0.00 H new ATOM 866 N ILE A 54 183.732 -1.845 2.499 1.00 0.00 N ATOM 867 CA ILE A 54 184.550 -1.481 1.348 1.00 0.00 C ATOM 868 C ILE A 54 186.023 -1.775 1.598 1.00 0.00 C ATOM 869 O ILE A 54 186.547 -1.503 2.677 1.00 0.00 O ATOM 870 CB ILE A 54 184.391 0.011 0.991 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.911 0.403 0.986 1.00 0.00 C ATOM 872 CG2 ILE A 54 185.030 0.306 -0.359 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.670 1.856 0.636 1.00 0.00 C ATOM 0 H ILE A 54 183.676 -1.127 3.221 1.00 0.00 H new ATOM 0 HA ILE A 54 184.199 -2.088 0.513 1.00 0.00 H new ATOM 0 HB ILE A 54 184.901 0.606 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.379 -0.227 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.487 0.200 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.909 1.363 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 54 186.092 0.062 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.548 -0.296 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.600 2.061 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.173 2.494 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 54 183.064 2.061 -0.360 1.00 0.00 H new ATOM 885 N ASN A 55 186.687 -2.331 0.590 1.00 0.00 N ATOM 886 CA ASN A 55 188.101 -2.660 0.697 1.00 0.00 C ATOM 887 C ASN A 55 188.963 -1.533 0.140 1.00 0.00 C ATOM 888 O ASN A 55 189.327 -1.536 -1.038 1.00 0.00 O ATOM 889 CB ASN A 55 188.402 -3.965 -0.044 1.00 0.00 C ATOM 890 CG ASN A 55 189.405 -4.830 0.695 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.237 -6.044 0.800 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.456 -4.204 1.215 1.00 0.00 N ATOM 0 H ASN A 55 186.267 -2.563 -0.310 1.00 0.00 H new ATOM 0 HA ASN A 55 188.340 -2.789 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.476 -4.524 -0.182 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.787 -3.735 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.163 -4.733 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.555 -3.195 1.104 1.00 0.00 H new ATOM 899 N THR A 56 189.284 -0.567 0.995 1.00 0.00 N ATOM 900 CA THR A 56 190.103 0.571 0.595 1.00 0.00 C ATOM 901 C THR A 56 191.575 0.303 0.893 1.00 0.00 C ATOM 902 O THR A 56 191.904 -0.555 1.712 1.00 0.00 O ATOM 903 CB THR A 56 189.642 1.835 1.323 1.00 0.00 C ATOM 904 OG1 THR A 56 189.499 1.592 2.711 1.00 0.00 O ATOM 905 CG2 THR A 56 188.323 2.371 0.812 1.00 0.00 C ATOM 0 H THR A 56 188.988 -0.550 1.971 1.00 0.00 H new ATOM 0 HA THR A 56 189.987 0.719 -0.479 1.00 0.00 H new ATOM 0 HB THR A 56 190.417 2.577 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.205 2.413 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.054 3.267 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.415 2.617 -0.246 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.548 1.616 0.943 1.00 0.00 H new ATOM 913 N PRO A 57 192.488 1.036 0.231 1.00 0.00 N ATOM 914 CA PRO A 57 193.931 0.872 0.430 1.00 0.00 C ATOM 915 C PRO A 57 194.333 0.980 1.899 1.00 0.00 C ATOM 916 O PRO A 57 195.394 0.499 2.297 1.00 0.00 O ATOM 917 CB PRO A 57 194.551 2.020 -0.383 1.00 0.00 C ATOM 918 CG PRO A 57 193.419 2.938 -0.710 1.00 0.00 C ATOM 919 CD PRO A 57 192.191 2.078 -0.761 1.00 0.00 C ATOM 0 HA PRO A 57 194.269 -0.115 0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.321 2.536 0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.027 1.646 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.318 3.718 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.585 3.438 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.292 2.639 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.031 1.658 -1.754 1.00 0.00 H new ATOM 927 N ASN A 58 193.483 1.614 2.703 1.00 0.00 N ATOM 928 CA ASN A 58 193.761 1.778 4.129 1.00 0.00 C ATOM 929 C ASN A 58 193.212 0.603 4.939 1.00 0.00 C ATOM 930 O ASN A 58 193.509 0.470 6.127 1.00 0.00 O ATOM 931 CB ASN A 58 193.165 3.092 4.658 1.00 0.00 C ATOM 932 CG ASN A 58 192.881 4.101 3.562 1.00 0.00 C ATOM 933 OD1 ASN A 58 191.648 4.107 3.068 1.00 0.00 O flip ATOM 934 ND2 ASN A 58 193.759 4.867 3.163 1.00 0.00 N flip ATOM 0 H ASN A 58 192.600 2.021 2.394 1.00 0.00 H new ATOM 0 HA ASN A 58 194.844 1.808 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 58 192.240 2.875 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.854 3.532 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 58 194.693 4.828 3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 58 193.552 5.540 2.425 1.00 0.00 H new ATOM 941 N GLY A 59 192.415 -0.248 4.296 1.00 0.00 N ATOM 942 CA GLY A 59 191.848 -1.392 4.984 1.00 0.00 C ATOM 943 C GLY A 59 190.406 -1.649 4.592 1.00 0.00 C ATOM 944 O GLY A 59 190.036 -1.500 3.427 1.00 0.00 O ATOM 0 H GLY A 59 192.153 -0.165 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.445 -2.277 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.905 -1.230 6.060 1.00 0.00 H new ATOM 948 N VAL A 60 189.588 -2.034 5.567 1.00 0.00 N ATOM 949 CA VAL A 60 188.179 -2.312 5.317 1.00 0.00 C ATOM 950 C VAL A 60 187.285 -1.457 6.215 1.00 0.00 C ATOM 951 O VAL A 60 187.375 -1.524 7.442 1.00 0.00 O ATOM 952 CB VAL A 60 187.863 -3.819 5.516 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.719 -4.042 6.501 1.00 0.00 C ATOM 954 CG2 VAL A 60 187.548 -4.476 4.179 1.00 0.00 C ATOM 0 H VAL A 60 189.877 -2.160 6.537 1.00 0.00 H new ATOM 0 HA VAL A 60 187.970 -2.054 4.279 1.00 0.00 H new ATOM 0 HB VAL A 60 188.752 -4.283 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.534 -5.111 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 60 186.986 -3.621 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 60 185.818 -3.553 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 60 187.329 -5.532 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 60 186.683 -3.989 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 60 188.406 -4.378 3.514 1.00 0.00 H new ATOM 964 N LEU A 61 186.423 -0.659 5.595 1.00 0.00 N ATOM 965 CA LEU A 61 185.509 0.205 6.334 1.00 0.00 C ATOM 966 C LEU A 61 184.099 -0.372 6.319 1.00 0.00 C ATOM 967 O LEU A 61 183.501 -0.549 5.258 1.00 0.00 O ATOM 968 CB LEU A 61 185.508 1.613 5.740 1.00 0.00 C ATOM 969 CG LEU A 61 186.743 2.459 6.063 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.719 2.912 7.516 1.00 0.00 C ATOM 971 CD2 LEU A 61 188.017 1.681 5.764 1.00 0.00 C ATOM 0 H LEU A 61 186.338 -0.592 4.581 1.00 0.00 H new ATOM 0 HA LEU A 61 185.851 0.262 7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.416 1.533 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.623 2.140 6.097 1.00 0.00 H new ATOM 0 HG LEU A 61 186.726 3.346 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.605 3.512 7.725 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.826 3.510 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.709 2.039 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.884 2.298 6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 61 188.041 0.775 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 61 188.040 1.412 4.708 1.00 0.00 H new ATOM 983 N VAL A 62 183.580 -0.681 7.502 1.00 0.00 N ATOM 984 CA VAL A 62 182.247 -1.258 7.625 1.00 0.00 C ATOM 985 C VAL A 62 181.186 -0.190 7.868 1.00 0.00 C ATOM 986 O VAL A 62 181.114 0.393 8.949 1.00 0.00 O ATOM 987 CB VAL A 62 182.190 -2.286 8.769 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.852 -3.009 8.775 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.340 -3.277 8.654 1.00 0.00 C ATOM 0 H VAL A 62 184.063 -0.541 8.390 1.00 0.00 H new ATOM 0 HA VAL A 62 182.037 -1.754 6.677 1.00 0.00 H new ATOM 0 HB VAL A 62 182.291 -1.754 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.832 -3.731 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.048 -2.286 8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.715 -3.529 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.284 -3.996 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.273 -3.803 7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.288 -2.742 8.707 1.00 0.00 H new ATOM 999 N ALA A 63 180.356 0.050 6.860 1.00 0.00 N ATOM 1000 CA ALA A 63 179.288 1.037 6.970 1.00 0.00 C ATOM 1001 C ALA A 63 177.996 0.381 7.441 1.00 0.00 C ATOM 1002 O ALA A 63 177.169 -0.031 6.630 1.00 0.00 O ATOM 1003 CB ALA A 63 179.069 1.734 5.635 1.00 0.00 C ATOM 0 H ALA A 63 180.401 -0.424 5.958 1.00 0.00 H new ATOM 0 HA ALA A 63 179.586 1.782 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.269 2.467 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.987 2.238 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.794 0.997 4.881 1.00 0.00 H new ATOM 1009 N SER A 64 177.832 0.281 8.757 1.00 0.00 N ATOM 1010 CA SER A 64 176.641 -0.336 9.331 1.00 0.00 C ATOM 1011 C SER A 64 175.576 0.708 9.646 1.00 0.00 C ATOM 1012 O SER A 64 175.715 1.489 10.587 1.00 0.00 O ATOM 1013 CB SER A 64 177.005 -1.108 10.601 1.00 0.00 C ATOM 1014 OG SER A 64 178.370 -1.488 10.594 1.00 0.00 O ATOM 0 H SER A 64 178.507 0.618 9.444 1.00 0.00 H new ATOM 0 HA SER A 64 176.233 -1.028 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.801 -0.491 11.476 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.378 -1.996 10.683 1.00 0.00 H new ATOM 0 HG SER A 64 178.577 -1.978 11.417 1.00 0.00 H new ATOM 1020 N GLY A 65 174.508 0.711 8.855 1.00 0.00 N ATOM 1021 CA GLY A 65 173.428 1.657 9.066 1.00 0.00 C ATOM 1022 C GLY A 65 172.114 0.968 9.373 1.00 0.00 C ATOM 1023 O GLY A 65 171.771 -0.035 8.747 1.00 0.00 O ATOM 0 H GLY A 65 174.371 0.074 8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.687 2.324 9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.312 2.277 8.177 1.00 0.00 H new ATOM 1027 N LYS A 66 171.376 1.504 10.341 1.00 0.00 N ATOM 1028 CA LYS A 66 170.093 0.929 10.728 1.00 0.00 C ATOM 1029 C LYS A 66 168.999 1.990 10.737 1.00 0.00 C ATOM 1030 O LYS A 66 169.145 3.038 11.367 1.00 0.00 O ATOM 1031 CB LYS A 66 170.198 0.276 12.109 1.00 0.00 C ATOM 1032 CG LYS A 66 170.424 1.267 13.239 1.00 0.00 C ATOM 1033 CD LYS A 66 170.890 0.570 14.507 1.00 0.00 C ATOM 1034 CE LYS A 66 169.871 -0.450 14.991 1.00 0.00 C ATOM 1035 NZ LYS A 66 170.295 -1.099 16.263 1.00 0.00 N ATOM 0 H LYS A 66 171.644 2.334 10.870 1.00 0.00 H new ATOM 0 HA LYS A 66 169.829 0.169 9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.284 -0.284 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.017 -0.443 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.166 2.005 12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.500 1.809 13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.843 0.074 14.321 1.00 0.00 H new ATOM 0 HD3 LYS A 66 171.063 1.311 15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 66 168.908 0.040 15.137 1.00 0.00 H new ATOM 0 HE3 LYS A 66 169.728 -1.212 14.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 169.574 -1.787 16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 171.201 -1.588 16.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 170.407 -0.375 17.002 1.00 0.00 H new ATOM 1049 N HIS A 67 167.901 1.715 10.037 1.00 0.00 N ATOM 1050 CA HIS A 67 166.788 2.659 9.975 1.00 0.00 C ATOM 1051 C HIS A 67 165.587 2.059 9.249 1.00 0.00 C ATOM 1052 O HIS A 67 165.739 1.250 8.335 1.00 0.00 O ATOM 1053 CB HIS A 67 167.227 3.952 9.284 1.00 0.00 C ATOM 1054 CG HIS A 67 166.847 5.189 10.037 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.209 6.313 9.630 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 167.122 5.371 11.376 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 166.112 7.142 10.720 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 166.668 6.552 11.760 1.00 0.00 N flip ATOM 0 H HIS A 67 167.758 0.854 9.509 1.00 0.00 H new ATOM 0 HA HIS A 67 166.485 2.884 10.998 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.309 3.935 9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.784 3.991 8.289 1.00 0.00 H new ATOM 0 HD2 HIS A 67 167.629 4.660 12.012 1.00 0.00 H new ATOM 0 HE1 HIS A 67 165.654 8.120 10.725 1.00 0.00 H new ATOM 0 HE2 HIS A 67 166.736 6.941 12.701 1.00 0.00 H new ATOM 1067 N GLU A 68 164.391 2.468 9.666 1.00 0.00 N ATOM 1068 CA GLU A 68 163.156 1.980 9.063 1.00 0.00 C ATOM 1069 C GLU A 68 163.011 2.474 7.627 1.00 0.00 C ATOM 1070 O GLU A 68 162.562 1.737 6.749 1.00 0.00 O ATOM 1071 CB GLU A 68 161.950 2.427 9.892 1.00 0.00 C ATOM 1072 CG GLU A 68 160.614 1.993 9.312 1.00 0.00 C ATOM 1073 CD GLU A 68 159.572 1.729 10.382 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.771 0.797 11.190 1.00 0.00 O ATOM 1075 OE2 GLU A 68 158.555 2.455 10.413 1.00 0.00 O ATOM 0 H GLU A 68 164.252 3.139 10.422 1.00 0.00 H new ATOM 0 HA GLU A 68 163.198 0.891 9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.045 2.026 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.963 3.513 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 68 160.247 2.765 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.756 1.090 8.718 1.00 0.00 H new ATOM 1082 N ASP A 69 163.393 3.724 7.394 1.00 0.00 N ATOM 1083 CA ASP A 69 163.302 4.311 6.064 1.00 0.00 C ATOM 1084 C ASP A 69 164.363 3.726 5.136 1.00 0.00 C ATOM 1085 O ASP A 69 165.529 3.609 5.506 1.00 0.00 O ATOM 1086 CB ASP A 69 163.455 5.830 6.140 1.00 0.00 C ATOM 1087 CG ASP A 69 162.134 6.534 6.381 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.176 5.865 6.824 1.00 0.00 O ATOM 1089 OD2 ASP A 69 162.057 7.755 6.129 1.00 0.00 O ATOM 0 H ASP A 69 163.768 4.349 8.108 1.00 0.00 H new ATOM 0 HA ASP A 69 162.319 4.073 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 69 164.149 6.083 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.894 6.195 5.211 1.00 0.00 H new ATOM 1094 N MET A 70 163.944 3.357 3.932 1.00 0.00 N ATOM 1095 CA MET A 70 164.854 2.781 2.949 1.00 0.00 C ATOM 1096 C MET A 70 165.967 3.765 2.592 1.00 0.00 C ATOM 1097 O MET A 70 167.139 3.517 2.867 1.00 0.00 O ATOM 1098 CB MET A 70 164.079 2.378 1.689 1.00 0.00 C ATOM 1099 CG MET A 70 164.963 1.975 0.517 1.00 0.00 C ATOM 1100 SD MET A 70 164.030 1.760 -1.010 1.00 0.00 S ATOM 1101 CE MET A 70 162.698 0.705 -0.448 1.00 0.00 C ATOM 0 H MET A 70 162.980 3.446 3.612 1.00 0.00 H new ATOM 0 HA MET A 70 165.313 1.894 3.385 1.00 0.00 H new ATOM 0 HB2 MET A 70 163.417 1.547 1.933 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.446 3.211 1.383 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.730 2.735 0.366 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.479 1.045 0.758 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.192 0.268 -1.309 1.00 0.00 H new ATOM 0 HE2 MET A 70 163.103 -0.091 0.177 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.986 1.294 0.130 1.00 0.00 H new ATOM 1111 N TYR A 71 165.590 4.880 1.974 1.00 0.00 N ATOM 1112 CA TYR A 71 166.556 5.896 1.574 1.00 0.00 C ATOM 1113 C TYR A 71 167.345 6.415 2.772 1.00 0.00 C ATOM 1114 O TYR A 71 168.564 6.566 2.702 1.00 0.00 O ATOM 1115 CB TYR A 71 165.846 7.054 0.862 1.00 0.00 C ATOM 1116 CG TYR A 71 165.930 6.992 -0.650 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.231 5.803 -1.309 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.710 8.128 -1.420 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.309 5.749 -2.687 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.787 8.081 -2.799 1.00 0.00 C ATOM 1121 CZ TYR A 71 166.088 6.891 -3.427 1.00 0.00 C ATOM 1122 OH TYR A 71 166.165 6.841 -4.801 1.00 0.00 O ATOM 0 H TYR A 71 164.623 5.102 1.740 1.00 0.00 H new ATOM 0 HA TYR A 71 167.262 5.434 0.883 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.797 7.060 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.278 7.995 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.407 4.907 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 71 165.475 9.063 -0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.542 4.818 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 71 165.612 8.973 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 71 165.982 7.730 -5.171 1.00 0.00 H new ATOM 1132 N THR A 72 166.649 6.676 3.874 1.00 0.00 N ATOM 1133 CA THR A 72 167.304 7.167 5.080 1.00 0.00 C ATOM 1134 C THR A 72 168.349 6.166 5.564 1.00 0.00 C ATOM 1135 O THR A 72 169.364 6.546 6.147 1.00 0.00 O ATOM 1136 CB THR A 72 166.279 7.427 6.182 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.089 7.972 5.642 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.775 8.378 7.249 1.00 0.00 C ATOM 0 H THR A 72 165.639 6.557 3.957 1.00 0.00 H new ATOM 0 HA THR A 72 167.801 8.106 4.839 1.00 0.00 H new ATOM 0 HB THR A 72 166.096 6.455 6.640 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.495 8.248 6.371 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.998 8.519 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.666 7.963 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 72 167.019 9.339 6.795 1.00 0.00 H new ATOM 1146 N ALA A 73 168.094 4.886 5.308 1.00 0.00 N ATOM 1147 CA ALA A 73 169.017 3.831 5.709 1.00 0.00 C ATOM 1148 C ALA A 73 170.338 3.962 4.962 1.00 0.00 C ATOM 1149 O ALA A 73 171.383 4.195 5.568 1.00 0.00 O ATOM 1150 CB ALA A 73 168.396 2.463 5.461 1.00 0.00 C ATOM 0 H ALA A 73 167.258 4.556 4.826 1.00 0.00 H new ATOM 0 HA ALA A 73 169.217 3.933 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.096 1.685 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.477 2.370 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.170 2.353 4.400 1.00 0.00 H new ATOM 1156 N ILE A 74 170.282 3.820 3.640 1.00 0.00 N ATOM 1157 CA ILE A 74 171.485 3.932 2.810 1.00 0.00 C ATOM 1158 C ILE A 74 172.235 5.224 3.127 1.00 0.00 C ATOM 1159 O ILE A 74 173.463 5.273 3.065 1.00 0.00 O ATOM 1160 CB ILE A 74 171.189 3.886 1.282 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.686 4.020 0.981 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.745 2.607 0.673 1.00 0.00 C ATOM 1163 CD1 ILE A 74 168.931 2.704 1.002 1.00 0.00 C ATOM 0 H ILE A 74 169.425 3.629 3.121 1.00 0.00 H new ATOM 0 HA ILE A 74 172.096 3.063 3.054 1.00 0.00 H new ATOM 0 HB ILE A 74 171.687 4.742 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.239 4.695 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.562 4.482 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.530 2.589 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.823 2.570 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.280 1.745 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 74 167.879 2.884 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.350 2.032 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.021 2.248 1.988 1.00 0.00 H new ATOM 1175 N ASN A 75 171.485 6.266 3.475 1.00 0.00 N ATOM 1176 CA ASN A 75 172.076 7.555 3.810 1.00 0.00 C ATOM 1177 C ASN A 75 172.925 7.445 5.072 1.00 0.00 C ATOM 1178 O ASN A 75 174.035 7.971 5.135 1.00 0.00 O ATOM 1179 CB ASN A 75 170.983 8.608 4.007 1.00 0.00 C ATOM 1180 CG ASN A 75 170.654 9.348 2.724 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.595 8.616 1.619 1.00 0.00 O flip ATOM 1182 ND2 ASN A 75 170.453 10.562 2.729 1.00 0.00 N flip ATOM 0 H ASN A 75 170.467 6.241 3.532 1.00 0.00 H new ATOM 0 HA ASN A 75 172.717 7.861 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.082 8.126 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.304 9.324 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 75 170.509 11.085 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 75 170.230 11.046 1.859 1.00 0.00 H new ATOM 1189 N GLU A 76 172.396 6.752 6.075 1.00 0.00 N ATOM 1190 CA GLU A 76 173.110 6.567 7.332 1.00 0.00 C ATOM 1191 C GLU A 76 174.372 5.734 7.118 1.00 0.00 C ATOM 1192 O GLU A 76 175.343 5.857 7.866 1.00 0.00 O ATOM 1193 CB GLU A 76 172.204 5.887 8.360 1.00 0.00 C ATOM 1194 CG GLU A 76 171.182 6.826 8.981 1.00 0.00 C ATOM 1195 CD GLU A 76 171.813 7.830 9.924 1.00 0.00 C ATOM 1196 OE1 GLU A 76 172.441 8.792 9.434 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.677 7.656 11.154 1.00 0.00 O ATOM 0 H GLU A 76 171.477 6.310 6.042 1.00 0.00 H new ATOM 0 HA GLU A 76 173.401 7.548 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.681 5.059 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.821 5.460 9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 76 170.654 7.358 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.438 6.241 9.523 1.00 0.00 H new ATOM 1204 N LEU A 77 174.351 4.887 6.091 1.00 0.00 N ATOM 1205 CA LEU A 77 175.491 4.033 5.777 1.00 0.00 C ATOM 1206 C LEU A 77 176.666 4.859 5.250 1.00 0.00 C ATOM 1207 O LEU A 77 177.812 4.645 5.647 1.00 0.00 O ATOM 1208 CB LEU A 77 175.071 2.962 4.754 1.00 0.00 C ATOM 1209 CG LEU A 77 176.113 2.593 3.688 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.066 1.102 3.389 1.00 0.00 C ATOM 1211 CD2 LEU A 77 175.883 3.399 2.420 1.00 0.00 C ATOM 0 H LEU A 77 173.556 4.775 5.462 1.00 0.00 H new ATOM 0 HA LEU A 77 175.821 3.538 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.802 2.056 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.170 3.308 4.247 1.00 0.00 H new ATOM 0 HG LEU A 77 177.103 2.834 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.811 0.859 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 77 176.278 0.541 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.075 0.836 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.630 3.126 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.887 3.188 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 77 175.967 4.462 2.645 1.00 0.00 H new ATOM 1223 N ILE A 78 176.378 5.793 4.348 1.00 0.00 N ATOM 1224 CA ILE A 78 177.417 6.636 3.767 1.00 0.00 C ATOM 1225 C ILE A 78 178.014 7.591 4.800 1.00 0.00 C ATOM 1226 O ILE A 78 179.205 7.896 4.755 1.00 0.00 O ATOM 1227 CB ILE A 78 176.881 7.450 2.568 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.984 8.338 1.984 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.682 8.288 2.986 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.526 9.194 0.823 1.00 0.00 C ATOM 0 H ILE A 78 175.437 5.984 4.005 1.00 0.00 H new ATOM 0 HA ILE A 78 178.200 5.964 3.417 1.00 0.00 H new ATOM 0 HB ILE A 78 176.559 6.753 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.371 8.986 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.810 7.707 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.318 8.855 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.891 7.634 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 78 175.978 8.977 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.361 9.795 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.166 8.553 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 78 176.721 9.851 1.151 1.00 0.00 H new ATOM 1242 N ASN A 79 177.186 8.059 5.727 1.00 0.00 N ATOM 1243 CA ASN A 79 177.647 8.980 6.762 1.00 0.00 C ATOM 1244 C ASN A 79 178.563 8.266 7.757 1.00 0.00 C ATOM 1245 O ASN A 79 179.573 8.817 8.193 1.00 0.00 O ATOM 1246 CB ASN A 79 176.444 9.619 7.478 1.00 0.00 C ATOM 1247 CG ASN A 79 176.331 9.228 8.942 1.00 0.00 C ATOM 1248 OD1 ASN A 79 176.866 9.905 9.820 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.634 8.131 9.211 1.00 0.00 N ATOM 0 H ASN A 79 176.197 7.818 5.784 1.00 0.00 H new ATOM 0 HA ASN A 79 178.226 9.773 6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.522 10.704 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.529 9.330 6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.525 7.820 10.176 1.00 0.00 H new ATOM 0 HD22 ASN A 79 175.207 7.599 8.453 1.00 0.00 H new ATOM 1256 N LYS A 80 178.199 7.037 8.110 1.00 0.00 N ATOM 1257 CA LYS A 80 178.987 6.250 9.051 1.00 0.00 C ATOM 1258 C LYS A 80 180.402 6.026 8.526 1.00 0.00 C ATOM 1259 O LYS A 80 181.382 6.310 9.215 1.00 0.00 O ATOM 1260 CB LYS A 80 178.310 4.904 9.316 1.00 0.00 C ATOM 1261 CG LYS A 80 177.234 4.967 10.388 1.00 0.00 C ATOM 1262 CD LYS A 80 177.197 3.694 11.217 1.00 0.00 C ATOM 1263 CE LYS A 80 178.113 3.792 12.427 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.532 4.651 13.495 1.00 0.00 N ATOM 0 H LYS A 80 177.365 6.566 7.759 1.00 0.00 H new ATOM 0 HA LYS A 80 179.051 6.807 9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.867 4.540 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.067 4.178 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.418 5.821 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 80 176.262 5.126 9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.176 3.502 11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.497 2.847 10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 80 178.298 2.794 12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 80 179.078 4.197 12.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 178.079 4.532 14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.567 5.647 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.544 4.375 13.663 1.00 0.00 H new ATOM 1278 N LEU A 81 180.502 5.521 7.301 1.00 0.00 N ATOM 1279 CA LEU A 81 181.799 5.264 6.685 1.00 0.00 C ATOM 1280 C LEU A 81 182.578 6.563 6.498 1.00 0.00 C ATOM 1281 O LEU A 81 183.809 6.571 6.540 1.00 0.00 O ATOM 1282 CB LEU A 81 181.617 4.565 5.335 1.00 0.00 C ATOM 1283 CG LEU A 81 182.473 3.312 5.136 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.704 2.248 4.366 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.766 3.660 4.419 1.00 0.00 C ATOM 0 H LEU A 81 179.702 5.282 6.716 1.00 0.00 H new ATOM 0 HA LEU A 81 182.367 4.613 7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.568 4.292 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.848 5.275 4.541 1.00 0.00 H new ATOM 0 HG LEU A 81 182.720 2.908 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 81 182.332 1.367 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.806 1.975 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.422 2.639 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 81 184.362 2.757 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.537 4.091 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 81 184.328 4.382 5.012 1.00 0.00 H new ATOM 1297 N GLU A 82 181.852 7.660 6.294 1.00 0.00 N ATOM 1298 CA GLU A 82 182.477 8.967 6.100 1.00 0.00 C ATOM 1299 C GLU A 82 183.375 9.321 7.282 1.00 0.00 C ATOM 1300 O GLU A 82 184.589 9.461 7.129 1.00 0.00 O ATOM 1301 CB GLU A 82 181.405 10.044 5.913 1.00 0.00 C ATOM 1302 CG GLU A 82 181.969 11.447 5.763 1.00 0.00 C ATOM 1303 CD GLU A 82 180.949 12.430 5.221 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.887 12.595 5.858 1.00 0.00 O ATOM 1305 OE2 GLU A 82 181.212 13.034 4.161 1.00 0.00 O ATOM 0 H GLU A 82 180.833 7.670 6.259 1.00 0.00 H new ATOM 0 HA GLU A 82 183.094 8.920 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.812 9.804 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.729 10.023 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.326 11.797 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.831 11.419 5.097 1.00 0.00 H new ATOM 1312 N ARG A 83 182.773 9.460 8.457 1.00 0.00 N ATOM 1313 CA ARG A 83 183.523 9.795 9.662 1.00 0.00 C ATOM 1314 C ARG A 83 184.594 8.743 9.940 1.00 0.00 C ATOM 1315 O ARG A 83 185.710 9.070 10.343 1.00 0.00 O ATOM 1316 CB ARG A 83 182.579 9.908 10.862 1.00 0.00 C ATOM 1317 CG ARG A 83 183.290 10.225 12.170 1.00 0.00 C ATOM 1318 CD ARG A 83 182.717 11.467 12.834 1.00 0.00 C ATOM 1319 NE ARG A 83 183.173 11.607 14.216 1.00 0.00 N ATOM 1320 CZ ARG A 83 182.665 10.923 15.237 1.00 0.00 C ATOM 1321 NH1 ARG A 83 181.681 10.055 15.041 1.00 0.00 N ATOM 1322 NH2 ARG A 83 183.143 11.108 16.461 1.00 0.00 N ATOM 0 H ARG A 83 181.770 9.346 8.601 1.00 0.00 H new ATOM 0 HA ARG A 83 184.012 10.756 9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.842 10.685 10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.033 8.971 10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 83 183.201 9.376 12.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 184.353 10.371 11.980 1.00 0.00 H new ATOM 0 HD2 ARG A 83 183.008 12.350 12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.628 11.420 12.814 1.00 0.00 H new ATOM 0 HE ARG A 83 183.925 12.268 14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 83 181.309 9.909 14.102 1.00 0.00 H new ATOM 0 HH12 ARG A 83 181.296 9.534 15.829 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.899 11.774 16.618 1.00 0.00 H new ATOM 0 HH22 ARG A 83 182.754 10.584 17.245 1.00 0.00 H new ATOM 1336 N GLN A 84 184.245 7.482 9.716 1.00 0.00 N ATOM 1337 CA GLN A 84 185.172 6.378 9.936 1.00 0.00 C ATOM 1338 C GLN A 84 186.389 6.501 9.023 1.00 0.00 C ATOM 1339 O GLN A 84 187.526 6.319 9.459 1.00 0.00 O ATOM 1340 CB GLN A 84 184.469 5.043 9.693 1.00 0.00 C ATOM 1341 CG GLN A 84 185.168 3.857 10.338 1.00 0.00 C ATOM 1342 CD GLN A 84 184.360 2.578 10.236 1.00 0.00 C ATOM 1343 OE1 GLN A 84 184.260 1.815 11.198 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.779 2.335 9.067 1.00 0.00 N ATOM 0 H GLN A 84 183.324 7.198 9.381 1.00 0.00 H new ATOM 0 HA GLN A 84 185.512 6.419 10.971 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.450 5.104 10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.397 4.871 8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.138 3.709 9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.359 4.079 11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.888 2.994 8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.224 1.489 8.940 1.00 0.00 H new ATOM 1353 N LEU A 85 186.140 6.809 7.755 1.00 0.00 N ATOM 1354 CA LEU A 85 187.214 6.955 6.778 1.00 0.00 C ATOM 1355 C LEU A 85 188.103 8.147 7.119 1.00 0.00 C ATOM 1356 O LEU A 85 189.320 8.095 6.942 1.00 0.00 O ATOM 1357 CB LEU A 85 186.630 7.125 5.373 1.00 0.00 C ATOM 1358 CG LEU A 85 187.635 6.958 4.231 1.00 0.00 C ATOM 1359 CD1 LEU A 85 187.029 6.142 3.098 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.094 8.318 3.722 1.00 0.00 C ATOM 0 H LEU A 85 185.204 6.962 7.379 1.00 0.00 H new ATOM 0 HA LEU A 85 187.824 6.052 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.827 6.400 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.181 8.115 5.300 1.00 0.00 H new ATOM 0 HG LEU A 85 188.503 6.421 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 85 187.759 6.035 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 85 186.750 5.156 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 186.143 6.650 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.808 8.181 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.234 8.879 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.569 8.869 4.534 1.00 0.00 H new ATOM 1372 N ASN A 86 187.486 9.217 7.609 1.00 0.00 N ATOM 1373 CA ASN A 86 188.219 10.425 7.975 1.00 0.00 C ATOM 1374 C ASN A 86 189.308 10.116 8.998 1.00 0.00 C ATOM 1375 O ASN A 86 190.458 10.530 8.841 1.00 0.00 O ATOM 1376 CB ASN A 86 187.261 11.476 8.539 1.00 0.00 C ATOM 1377 CG ASN A 86 186.585 12.286 7.451 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.199 12.625 6.439 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.312 12.601 7.654 1.00 0.00 N ATOM 0 H ASN A 86 186.479 9.273 7.762 1.00 0.00 H new ATOM 0 HA ASN A 86 188.692 10.817 7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.502 10.983 9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.810 12.147 9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.804 13.145 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.842 12.299 8.507 1.00 0.00 H new ATOM 1386 N LYS A 87 188.939 9.391 10.049 1.00 0.00 N ATOM 1387 CA LYS A 87 189.885 9.033 11.102 1.00 0.00 C ATOM 1388 C LYS A 87 190.964 8.092 10.572 1.00 0.00 C ATOM 1389 O LYS A 87 192.157 8.387 10.664 1.00 0.00 O ATOM 1390 CB LYS A 87 189.150 8.381 12.277 1.00 0.00 C ATOM 1391 CG LYS A 87 190.073 7.859 13.371 1.00 0.00 C ATOM 1392 CD LYS A 87 191.190 8.844 13.684 1.00 0.00 C ATOM 1393 CE LYS A 87 192.108 8.315 14.775 1.00 0.00 C ATOM 1394 NZ LYS A 87 191.407 8.200 16.084 1.00 0.00 N ATOM 0 H LYS A 87 187.993 9.040 10.195 1.00 0.00 H new ATOM 0 HA LYS A 87 190.368 9.947 11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.463 9.108 12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.545 7.556 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.494 7.667 14.274 1.00 0.00 H new ATOM 0 HG3 LYS A 87 190.504 6.907 13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 87 191.769 9.038 12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.761 9.796 13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 87 192.494 7.338 14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 87 192.967 8.978 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 192.101 8.001 16.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 190.917 9.093 16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.713 7.426 16.040 1.00 0.00 H new ATOM 1408 N LEU A 88 190.540 6.960 10.021 1.00 0.00 N ATOM 1409 CA LEU A 88 191.473 5.974 9.481 1.00 0.00 C ATOM 1410 C LEU A 88 192.391 6.598 8.431 1.00 0.00 C ATOM 1411 O LEU A 88 193.470 6.076 8.149 1.00 0.00 O ATOM 1412 CB LEU A 88 190.707 4.800 8.869 1.00 0.00 C ATOM 1413 CG LEU A 88 191.385 3.437 9.021 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.410 2.316 8.695 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.614 3.352 8.130 1.00 0.00 C ATOM 0 H LEU A 88 189.557 6.701 9.936 1.00 0.00 H new ATOM 0 HA LEU A 88 192.090 5.612 10.303 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.719 4.751 9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.556 4.998 7.808 1.00 0.00 H new ATOM 0 HG LEU A 88 191.703 3.324 10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.910 1.354 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.559 2.365 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.061 2.424 7.668 1.00 0.00 H new ATOM 0 HD21 LEU A 88 193.084 2.376 8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.319 3.487 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 88 193.321 4.132 8.410 1.00 0.00 H new ATOM 1427 N GLN A 89 191.957 7.713 7.852 1.00 0.00 N ATOM 1428 CA GLN A 89 192.744 8.401 6.833 1.00 0.00 C ATOM 1429 C GLN A 89 193.920 9.144 7.460 1.00 0.00 C ATOM 1430 O GLN A 89 195.072 8.935 7.082 1.00 0.00 O ATOM 1431 CB GLN A 89 191.864 9.379 6.055 1.00 0.00 C ATOM 1432 CG GLN A 89 191.227 8.772 4.817 1.00 0.00 C ATOM 1433 CD GLN A 89 191.979 9.114 3.546 1.00 0.00 C ATOM 1434 OE1 GLN A 89 192.440 10.241 3.368 1.00 0.00 O ATOM 1435 NE2 GLN A 89 192.108 8.139 2.653 1.00 0.00 N ATOM 0 H GLN A 89 191.066 8.159 8.070 1.00 0.00 H new ATOM 0 HA GLN A 89 193.138 7.651 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 89 191.078 9.750 6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 89 192.465 10.239 5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 89 191.185 7.689 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 89 190.199 9.124 4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 89 191.710 7.219 2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 89 192.605 8.310 1.779 1.00 0.00 H new ATOM 1444 N HIS A 90 193.619 10.015 8.418 1.00 0.00 N ATOM 1445 CA HIS A 90 194.651 10.793 9.096 1.00 0.00 C ATOM 1446 C HIS A 90 195.542 9.894 9.947 1.00 0.00 C ATOM 1447 O HIS A 90 195.108 9.359 10.967 1.00 0.00 O ATOM 1448 CB HIS A 90 194.013 11.872 9.971 1.00 0.00 C ATOM 1449 CG HIS A 90 193.200 12.865 9.202 1.00 0.00 C ATOM 1450 ND1 HIS A 90 192.402 12.709 8.117 1.00 0.00 N flip ATOM 1451 CD2 HIS A 90 193.148 14.206 9.522 1.00 0.00 C flip ATOM 1452 CE1 HIS A 90 191.889 13.945 7.809 1.00 0.00 C flip ATOM 1453 NE2 HIS A 90 192.353 14.830 8.671 1.00 0.00 N flip ATOM 0 H HIS A 90 192.670 10.200 8.742 1.00 0.00 H new ATOM 0 HA HIS A 90 195.269 11.269 8.335 1.00 0.00 H new ATOM 0 HB2 HIS A 90 193.377 11.394 10.716 1.00 0.00 H new ATOM 0 HB3 HIS A 90 194.798 12.400 10.513 1.00 0.00 H new ATOM 0 HD2 HIS A 90 193.675 14.673 10.341 1.00 0.00 H new ATOM 0 HE1 HIS A 90 191.215 14.158 6.993 1.00 0.00 H new ATOM 0 HE2 HIS A 90 192.135 15.826 8.679 1.00 0.00 H new ATOM 1462 N LYS A 91 196.792 9.736 9.524 1.00 0.00 N ATOM 1463 CA LYS A 91 197.752 8.906 10.249 1.00 0.00 C ATOM 1464 C LYS A 91 197.198 7.502 10.475 1.00 0.00 C ATOM 1465 O LYS A 91 196.718 7.182 11.564 1.00 0.00 O ATOM 1466 CB LYS A 91 198.109 9.546 11.594 1.00 0.00 C ATOM 1467 CG LYS A 91 198.057 11.066 11.590 1.00 0.00 C ATOM 1468 CD LYS A 91 199.166 11.662 10.737 1.00 0.00 C ATOM 1469 CE LYS A 91 198.650 12.789 9.855 1.00 0.00 C ATOM 1470 NZ LYS A 91 197.723 13.694 10.591 1.00 0.00 N ATOM 0 H LYS A 91 197.166 10.172 8.681 1.00 0.00 H new ATOM 0 HA LYS A 91 198.654 8.831 9.641 1.00 0.00 H new ATOM 0 HB2 LYS A 91 197.425 9.171 12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 91 199.111 9.228 11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 91 197.089 11.396 11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 91 198.144 11.436 12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 91 199.960 12.039 11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 91 199.605 10.883 10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 91 199.493 13.366 9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 91 198.135 12.367 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 197.814 14.661 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 196.744 13.366 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 197.963 13.688 11.603 1.00 0.00 H new ATOM 1484 N GLY A 92 197.267 6.669 9.444 1.00 0.00 N ATOM 1485 CA GLY A 92 196.768 5.310 9.555 1.00 0.00 C ATOM 1486 C GLY A 92 197.122 4.461 8.350 1.00 0.00 C ATOM 1487 O GLY A 92 196.286 3.712 7.843 1.00 0.00 O ATOM 0 H GLY A 92 197.659 6.909 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 92 197.177 4.848 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 92 195.685 5.333 9.674 1.00 0.00 H new ATOM 1491 N GLU A 93 198.364 4.578 7.889 1.00 0.00 N ATOM 1492 CA GLU A 93 198.826 3.814 6.736 1.00 0.00 C ATOM 1493 C GLU A 93 200.297 3.441 6.884 1.00 0.00 C ATOM 1494 O GLU A 93 201.147 4.303 7.100 1.00 0.00 O ATOM 1495 CB GLU A 93 198.619 4.618 5.450 1.00 0.00 C ATOM 1496 CG GLU A 93 197.181 4.611 4.953 1.00 0.00 C ATOM 1497 CD GLU A 93 196.603 6.006 4.819 1.00 0.00 C ATOM 1498 OE1 GLU A 93 196.947 6.875 5.647 1.00 0.00 O ATOM 1499 OE2 GLU A 93 195.805 6.231 3.883 1.00 0.00 O ATOM 0 H GLU A 93 199.067 5.194 8.296 1.00 0.00 H new ATOM 0 HA GLU A 93 198.241 2.896 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 93 198.931 5.648 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 93 199.266 4.215 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 93 197.137 4.109 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 93 196.566 4.031 5.641 1.00 0.00 H new ATOM 1506 N ALA A 94 200.589 2.148 6.766 1.00 0.00 N ATOM 1507 CA ALA A 94 201.958 1.661 6.887 1.00 0.00 C ATOM 1508 C ALA A 94 202.124 0.314 6.190 1.00 0.00 C ATOM 1509 O ALA A 94 201.145 -0.382 5.923 1.00 0.00 O ATOM 1510 CB ALA A 94 202.352 1.555 8.354 1.00 0.00 C ATOM 0 H ALA A 94 199.896 1.421 6.587 1.00 0.00 H new ATOM 0 HA ALA A 94 202.619 2.376 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 94 203.376 1.190 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 94 202.281 2.537 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 94 201.681 0.862 8.862 1.00 0.00 H new ATOM 1516 N ARG A 95 203.370 -0.046 5.899 1.00 0.00 N ATOM 1517 CA ARG A 95 203.664 -1.309 5.233 1.00 0.00 C ATOM 1518 C ARG A 95 203.504 -2.481 6.195 1.00 0.00 C ATOM 1519 O ARG A 95 204.480 -2.969 6.766 1.00 0.00 O ATOM 1520 CB ARG A 95 205.084 -1.292 4.664 1.00 0.00 C ATOM 1521 CG ARG A 95 205.271 -0.295 3.531 1.00 0.00 C ATOM 1522 CD ARG A 95 206.479 0.602 3.761 1.00 0.00 C ATOM 1523 NE ARG A 95 206.119 2.018 3.747 1.00 0.00 N ATOM 1524 CZ ARG A 95 207.001 3.010 3.858 1.00 0.00 C ATOM 1525 NH1 ARG A 95 208.295 2.743 3.990 1.00 0.00 N ATOM 1526 NH2 ARG A 95 206.589 4.269 3.834 1.00 0.00 N ATOM 0 H ARG A 95 204.192 0.519 6.114 1.00 0.00 H new ATOM 0 HA ARG A 95 202.954 -1.433 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 95 205.785 -1.056 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 95 205.335 -2.290 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 95 205.391 -0.832 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 95 204.375 0.319 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 95 206.938 0.354 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 95 207.225 0.410 2.990 1.00 0.00 H new ATOM 0 HE ARG A 95 205.134 2.261 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 95 208.617 1.775 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 95 208.967 3.506 4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 95 205.596 4.479 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 95 207.265 5.028 3.919 1.00 0.00 H new ATOM 1540 N ARG A 96 202.264 -2.928 6.372 1.00 0.00 N ATOM 1541 CA ARG A 96 201.974 -4.043 7.266 1.00 0.00 C ATOM 1542 C ARG A 96 202.341 -5.376 6.619 1.00 0.00 C ATOM 1543 O ARG A 96 202.621 -6.355 7.310 1.00 0.00 O ATOM 1544 CB ARG A 96 200.494 -4.042 7.650 1.00 0.00 C ATOM 1545 CG ARG A 96 200.177 -3.172 8.857 1.00 0.00 C ATOM 1546 CD ARG A 96 200.659 -3.812 10.149 1.00 0.00 C ATOM 1547 NE ARG A 96 200.349 -5.239 10.205 1.00 0.00 N ATOM 1548 CZ ARG A 96 199.120 -5.725 10.361 1.00 0.00 C ATOM 1549 NH1 ARG A 96 198.085 -4.904 10.486 1.00 0.00 N ATOM 1550 NH2 ARG A 96 198.925 -7.036 10.395 1.00 0.00 N ATOM 0 H ARG A 96 201.445 -2.535 5.908 1.00 0.00 H new ATOM 0 HA ARG A 96 202.579 -3.920 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 96 199.907 -3.696 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 96 200.181 -5.065 7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 96 200.647 -2.196 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 96 199.102 -3.004 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 96 201.736 -3.672 10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 96 200.197 -3.308 10.997 1.00 0.00 H new ATOM 0 HE ARG A 96 201.120 -5.901 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 96 198.229 -3.894 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 96 197.145 -5.282 10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 96 199.717 -7.672 10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 197.983 -7.409 10.515 1.00 0.00 H new ATOM 1564 N ALA A 97 202.336 -5.407 5.288 1.00 0.00 N ATOM 1565 CA ALA A 97 202.666 -6.620 4.551 1.00 0.00 C ATOM 1566 C ALA A 97 201.620 -7.705 4.784 1.00 0.00 C ATOM 1567 O ALA A 97 201.317 -8.055 5.925 1.00 0.00 O ATOM 1568 CB ALA A 97 204.047 -7.123 4.945 1.00 0.00 C ATOM 0 H ALA A 97 202.107 -4.605 4.700 1.00 0.00 H new ATOM 0 HA ALA A 97 202.672 -6.377 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 97 204.277 -8.029 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 97 204.791 -6.359 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 97 204.064 -7.342 6.013 1.00 0.00 H new ATOM 1574 N ALA A 98 201.067 -8.231 3.696 1.00 0.00 N ATOM 1575 CA ALA A 98 200.053 -9.275 3.782 1.00 0.00 C ATOM 1576 C ALA A 98 200.632 -10.637 3.415 1.00 0.00 C ATOM 1577 O ALA A 98 201.298 -10.783 2.390 1.00 0.00 O ATOM 1578 CB ALA A 98 198.876 -8.938 2.879 1.00 0.00 C ATOM 0 H ALA A 98 201.304 -7.951 2.744 1.00 0.00 H new ATOM 0 HA ALA A 98 199.705 -9.326 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 98 198.125 -9.725 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 98 198.439 -7.989 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 98 199.220 -8.858 1.848 1.00 0.00 H new ATOM 1584 N THR A 99 200.373 -11.631 4.258 1.00 0.00 N ATOM 1585 CA THR A 99 200.867 -12.982 4.020 1.00 0.00 C ATOM 1586 C THR A 99 200.081 -13.658 2.901 1.00 0.00 C ATOM 1587 O THR A 99 198.851 -13.710 2.937 1.00 0.00 O ATOM 1588 CB THR A 99 200.774 -13.815 5.299 1.00 0.00 C ATOM 1589 OG1 THR A 99 201.201 -13.064 6.422 1.00 0.00 O ATOM 1590 CG2 THR A 99 201.603 -15.080 5.250 1.00 0.00 C ATOM 0 H THR A 99 199.824 -11.526 5.111 1.00 0.00 H new ATOM 0 HA THR A 99 201.911 -12.912 3.716 1.00 0.00 H new ATOM 0 HB THR A 99 199.723 -14.091 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 99 201.132 -13.615 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 99 201.492 -15.624 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 99 201.263 -15.706 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 99 202.652 -14.822 5.102 1.00 0.00 H new ATOM 1598 N SER A 100 200.799 -14.172 1.908 1.00 0.00 N ATOM 1599 CA SER A 100 200.168 -14.844 0.779 1.00 0.00 C ATOM 1600 C SER A 100 199.668 -16.230 1.176 1.00 0.00 C ATOM 1601 O SER A 100 200.224 -17.246 0.759 1.00 0.00 O ATOM 1602 CB SER A 100 201.153 -14.957 -0.388 1.00 0.00 C ATOM 1603 OG SER A 100 202.491 -14.825 0.058 1.00 0.00 O ATOM 0 H SER A 100 201.817 -14.136 1.862 1.00 0.00 H new ATOM 0 HA SER A 100 199.311 -14.247 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 100 201.025 -15.919 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 100 200.935 -14.186 -1.127 1.00 0.00 H new ATOM 0 HG SER A 100 202.715 -15.575 0.647 1.00 0.00 H new ATOM 1609 N VAL A 101 198.615 -16.264 1.987 1.00 0.00 N ATOM 1610 CA VAL A 101 198.041 -17.525 2.442 1.00 0.00 C ATOM 1611 C VAL A 101 196.842 -17.923 1.586 1.00 0.00 C ATOM 1612 O VAL A 101 196.559 -19.107 1.409 1.00 0.00 O ATOM 1613 CB VAL A 101 197.602 -17.444 3.916 1.00 0.00 C ATOM 1614 CG1 VAL A 101 197.154 -18.808 4.418 1.00 0.00 C ATOM 1615 CG2 VAL A 101 198.729 -16.893 4.778 1.00 0.00 C ATOM 0 H VAL A 101 198.142 -15.433 2.342 1.00 0.00 H new ATOM 0 HA VAL A 101 198.820 -18.281 2.345 1.00 0.00 H new ATOM 0 HB VAL A 101 196.754 -16.763 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 101 196.848 -18.729 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 101 196.314 -19.158 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 101 197.979 -19.515 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 101 198.401 -16.843 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 101 199.598 -17.547 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 101 198.996 -15.894 4.433 1.00 0.00 H new ATOM 1625 N LYS A 102 196.138 -16.923 1.060 1.00 0.00 N ATOM 1626 CA LYS A 102 194.968 -17.171 0.225 1.00 0.00 C ATOM 1627 C LYS A 102 195.382 -17.569 -1.188 1.00 0.00 C ATOM 1628 O LYS A 102 194.833 -18.510 -1.763 1.00 0.00 O ATOM 1629 CB LYS A 102 194.079 -15.927 0.177 1.00 0.00 C ATOM 1630 CG LYS A 102 192.836 -16.099 -0.679 1.00 0.00 C ATOM 1631 CD LYS A 102 191.859 -17.083 -0.054 1.00 0.00 C ATOM 1632 CE LYS A 102 191.143 -17.907 -1.112 1.00 0.00 C ATOM 1633 NZ LYS A 102 190.207 -17.079 -1.922 1.00 0.00 N ATOM 0 H LYS A 102 196.358 -15.936 1.197 1.00 0.00 H new ATOM 0 HA LYS A 102 194.406 -17.995 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 102 193.778 -15.667 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 102 194.661 -15.089 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 102 192.347 -15.134 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 102 193.122 -16.449 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 102 192.394 -17.747 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 102 191.126 -16.540 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 102 191.878 -18.372 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 102 190.590 -18.714 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 189.739 -17.678 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 189.490 -16.656 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 190.738 -16.324 -2.402 1.00 0.00 H new ATOM 1647 N ASP A 103 196.351 -16.847 -1.743 1.00 0.00 N ATOM 1648 CA ASP A 103 196.836 -17.126 -3.090 1.00 0.00 C ATOM 1649 C ASP A 103 197.354 -18.557 -3.198 1.00 0.00 C ATOM 1650 O ASP A 103 198.312 -18.934 -2.524 1.00 0.00 O ATOM 1651 CB ASP A 103 197.941 -16.140 -3.472 1.00 0.00 C ATOM 1652 CG ASP A 103 199.141 -16.232 -2.550 1.00 0.00 C ATOM 1653 OD1 ASP A 103 198.989 -16.759 -1.428 1.00 0.00 O ATOM 1654 OD2 ASP A 103 200.232 -15.776 -2.949 1.00 0.00 O ATOM 0 H ASP A 103 196.815 -16.065 -1.281 1.00 0.00 H new ATOM 0 HA ASP A 103 196.001 -17.009 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 103 198.258 -16.333 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 103 197.544 -15.125 -3.447 1.00 0.00 H new ATOM 1659 N ALA A 104 196.713 -19.350 -4.051 1.00 0.00 N ATOM 1660 CA ALA A 104 197.107 -20.739 -4.249 1.00 0.00 C ATOM 1661 C ALA A 104 198.534 -20.835 -4.779 1.00 0.00 C ATOM 1662 O ALA A 104 198.753 -20.934 -5.986 1.00 0.00 O ATOM 1663 CB ALA A 104 196.141 -21.432 -5.198 1.00 0.00 C ATOM 0 H ALA A 104 195.918 -19.053 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 104 197.072 -21.242 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 104 196.448 -22.469 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 104 195.136 -21.404 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 104 196.147 -20.920 -6.160 1.00 0.00 H new ATOM 1669 N ASN A 105 199.502 -20.805 -3.868 1.00 0.00 N ATOM 1670 CA ASN A 105 200.908 -20.889 -4.245 1.00 0.00 C ATOM 1671 C ASN A 105 201.457 -22.303 -4.043 1.00 0.00 C ATOM 1672 O ASN A 105 202.651 -22.543 -4.219 1.00 0.00 O ATOM 1673 CB ASN A 105 201.733 -19.889 -3.431 1.00 0.00 C ATOM 1674 CG ASN A 105 202.591 -18.998 -4.308 1.00 0.00 C ATOM 1675 OD1 ASN A 105 202.126 -18.463 -5.313 1.00 0.00 O ATOM 1676 ND2 ASN A 105 203.854 -18.835 -3.929 1.00 0.00 N ATOM 0 H ASN A 105 199.338 -20.723 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 105 200.984 -20.644 -5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 105 201.063 -19.270 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 105 202.372 -20.431 -2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 105 204.480 -18.247 -4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 105 204.198 -19.298 -3.088 1.00 0.00 H new ATOM 1683 N PHE A 106 200.582 -23.235 -3.671 1.00 0.00 N ATOM 1684 CA PHE A 106 200.987 -24.620 -3.448 1.00 0.00 C ATOM 1685 C PHE A 106 201.675 -25.195 -4.684 1.00 0.00 C ATOM 1686 O PHE A 106 201.190 -25.038 -5.806 1.00 0.00 O ATOM 1687 CB PHE A 106 199.774 -25.476 -3.071 1.00 0.00 C ATOM 1688 CG PHE A 106 198.839 -25.748 -4.218 1.00 0.00 C ATOM 1689 CD1 PHE A 106 197.989 -24.759 -4.687 1.00 0.00 C ATOM 1690 CD2 PHE A 106 198.810 -26.993 -4.823 1.00 0.00 C ATOM 1691 CE1 PHE A 106 197.129 -25.008 -5.741 1.00 0.00 C ATOM 1692 CE2 PHE A 106 197.952 -27.248 -5.876 1.00 0.00 C ATOM 1693 CZ PHE A 106 197.111 -26.254 -6.336 1.00 0.00 C ATOM 0 H PHE A 106 199.590 -23.056 -3.518 1.00 0.00 H new ATOM 0 HA PHE A 106 201.700 -24.635 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 106 200.124 -26.426 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 106 199.222 -24.976 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 106 197.998 -23.783 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 106 199.466 -27.774 -4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 106 196.472 -24.229 -6.098 1.00 0.00 H new ATOM 0 HE2 PHE A 106 197.939 -28.224 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 106 196.441 -26.451 -7.159 1.00 0.00 H new ATOM 1703 N VAL A 107 202.807 -25.859 -4.473 1.00 0.00 N ATOM 1704 CA VAL A 107 203.560 -26.453 -5.570 1.00 0.00 C ATOM 1705 C VAL A 107 203.372 -27.967 -5.612 1.00 0.00 C ATOM 1706 O VAL A 107 204.340 -28.728 -5.576 1.00 0.00 O ATOM 1707 CB VAL A 107 205.063 -26.135 -5.456 1.00 0.00 C ATOM 1708 CG1 VAL A 107 205.320 -24.664 -5.748 1.00 0.00 C ATOM 1709 CG2 VAL A 107 205.588 -26.514 -4.080 1.00 0.00 C ATOM 0 H VAL A 107 203.222 -25.999 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 107 203.173 -26.017 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 107 205.599 -26.728 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 107 206.387 -24.457 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 107 204.984 -24.430 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 107 204.773 -24.050 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 107 206.651 -26.282 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 107 205.050 -25.951 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 107 205.440 -27.581 -3.915 1.00 0.00 H new ATOM 1719 N GLU A 108 202.116 -28.400 -5.690 1.00 0.00 N ATOM 1720 CA GLU A 108 201.798 -29.823 -5.741 1.00 0.00 C ATOM 1721 C GLU A 108 202.251 -30.528 -4.465 1.00 0.00 C ATOM 1722 O GLU A 108 203.215 -30.113 -3.823 1.00 0.00 O ATOM 1723 CB GLU A 108 202.459 -30.478 -6.957 1.00 0.00 C ATOM 1724 CG GLU A 108 202.474 -29.595 -8.196 1.00 0.00 C ATOM 1725 CD GLU A 108 203.873 -29.161 -8.586 1.00 0.00 C ATOM 1726 OE1 GLU A 108 204.822 -29.941 -8.361 1.00 0.00 O ATOM 1727 OE2 GLU A 108 204.020 -28.040 -9.118 1.00 0.00 O ATOM 0 H GLU A 108 201.303 -27.785 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 108 200.716 -29.921 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 108 203.484 -30.747 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 108 201.935 -31.405 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 108 202.020 -30.134 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 108 201.861 -28.712 -8.016 1.00 0.00 H new ATOM 1734 N GLU A 109 201.549 -31.596 -4.107 1.00 0.00 N ATOM 1735 CA GLU A 109 201.879 -32.362 -2.910 1.00 0.00 C ATOM 1736 C GLU A 109 203.003 -33.353 -3.195 1.00 0.00 C ATOM 1737 O GLU A 109 203.060 -33.952 -4.268 1.00 0.00 O ATOM 1738 CB GLU A 109 200.641 -33.103 -2.397 1.00 0.00 C ATOM 1739 CG GLU A 109 200.299 -32.785 -0.950 1.00 0.00 C ATOM 1740 CD GLU A 109 200.790 -33.848 0.013 1.00 0.00 C ATOM 1741 OE1 GLU A 109 201.865 -34.429 -0.241 1.00 0.00 O ATOM 1742 OE2 GLU A 109 200.098 -34.100 1.023 1.00 0.00 O ATOM 0 H GLU A 109 200.748 -31.952 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 109 202.219 -31.667 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 109 199.789 -32.850 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 109 200.803 -34.176 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 109 200.738 -31.825 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 109 199.219 -32.681 -0.850 1.00 0.00 H new ATOM 1749 N VAL A 110 203.898 -33.521 -2.225 1.00 0.00 N ATOM 1750 CA VAL A 110 205.021 -34.437 -2.373 1.00 0.00 C ATOM 1751 C VAL A 110 204.767 -35.744 -1.629 1.00 0.00 C ATOM 1752 O VAL A 110 203.751 -35.894 -0.947 1.00 0.00 O ATOM 1753 CB VAL A 110 206.328 -33.812 -1.854 1.00 0.00 C ATOM 1754 CG1 VAL A 110 206.763 -32.661 -2.747 1.00 0.00 C ATOM 1755 CG2 VAL A 110 206.162 -33.346 -0.414 1.00 0.00 C ATOM 0 H VAL A 110 203.866 -33.034 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 110 205.122 -34.642 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 110 207.107 -34.574 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 110 207.689 -32.233 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 110 206.926 -33.028 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 110 205.987 -31.896 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 110 207.096 -32.907 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 110 205.369 -32.600 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 110 205.902 -34.197 0.216 1.00 0.00 H new ATOM 1765 N GLU A 111 205.693 -36.686 -1.764 1.00 0.00 N ATOM 1766 CA GLU A 111 205.569 -37.981 -1.102 1.00 0.00 C ATOM 1767 C GLU A 111 206.178 -37.938 0.297 1.00 0.00 C ATOM 1768 O GLU A 111 207.037 -38.751 0.639 1.00 0.00 O ATOM 1769 CB GLU A 111 206.245 -39.069 -1.940 1.00 0.00 C ATOM 1770 CG GLU A 111 205.293 -39.795 -2.876 1.00 0.00 C ATOM 1771 CD GLU A 111 204.910 -41.170 -2.367 1.00 0.00 C ATOM 1772 OE1 GLU A 111 205.778 -42.068 -2.372 1.00 0.00 O ATOM 1773 OE2 GLU A 111 203.741 -41.349 -1.963 1.00 0.00 O ATOM 0 H GLU A 111 206.538 -36.578 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 111 204.509 -38.215 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 111 207.046 -38.619 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 111 206.709 -39.795 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 111 204.392 -39.196 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 111 205.757 -39.891 -3.857 1.00 0.00 H new ATOM 1780 N GLU A 112 205.727 -36.981 1.101 1.00 0.00 N ATOM 1781 CA GLU A 112 206.227 -36.832 2.464 1.00 0.00 C ATOM 1782 C GLU A 112 205.117 -37.087 3.482 1.00 0.00 C ATOM 1783 O GLU A 112 205.124 -36.524 4.575 1.00 0.00 O ATOM 1784 CB GLU A 112 206.804 -35.429 2.665 1.00 0.00 C ATOM 1785 CG GLU A 112 207.595 -35.278 3.956 1.00 0.00 C ATOM 1786 CD GLU A 112 207.165 -34.069 4.766 1.00 0.00 C ATOM 1787 OE1 GLU A 112 207.382 -32.933 4.297 1.00 0.00 O ATOM 1788 OE2 GLU A 112 206.613 -34.261 5.869 1.00 0.00 O ATOM 0 H GLU A 112 205.018 -36.298 0.834 1.00 0.00 H new ATOM 0 HA GLU A 112 207.015 -37.569 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 112 207.450 -35.186 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 112 205.989 -34.705 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 112 207.473 -36.177 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 112 208.656 -35.194 3.720 1.00 0.00 H new ATOM 1795 N GLU A 113 204.167 -37.940 3.110 1.00 0.00 N ATOM 1796 CA GLU A 113 203.054 -38.270 3.991 1.00 0.00 C ATOM 1797 C GLU A 113 203.442 -39.371 4.972 1.00 0.00 C ATOM 1798 O GLU A 113 204.216 -40.269 4.577 1.00 0.00 O ATOM 1799 CB GLU A 113 201.840 -38.710 3.169 1.00 0.00 C ATOM 1800 CG GLU A 113 201.567 -37.825 1.963 1.00 0.00 C ATOM 1801 CD GLU A 113 202.077 -38.428 0.668 1.00 0.00 C ATOM 1802 OE1 GLU A 113 202.737 -39.488 0.722 1.00 0.00 O ATOM 1803 OE2 GLU A 113 201.818 -37.839 -0.403 1.00 0.00 O ATOM 1804 OXT GLU A 113 202.971 -39.326 6.128 1.00 0.00 O ATOM 0 H GLU A 113 204.146 -38.414 2.207 1.00 0.00 H new ATOM 0 HA GLU A 113 202.797 -37.376 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 113 201.994 -39.734 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 113 200.960 -38.716 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 113 200.494 -37.651 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 113 202.037 -36.853 2.117 1.00 0.00 H new TER 1811 GLU A 113