USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot 126:sc= 0.587 USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= 0.285 F(o=-0.53,f=0.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.578 (180deg=0.578) USER MOD Single : A 2 THR OG1 : rot 78:sc= 0.841 USER MOD Single : A 3 MET CE :methyl 152:sc= -0.102 (180deg=-1.2) USER MOD Single : A 4 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -119:sc= -0.874 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.084) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 18 GLN : amide:sc= -0.555 K(o=-0.55,f=-1.3) USER MOD Single : A 19 HIS : no HD1:sc= -4.63 K(o=-4.6,f=-5.2!) 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= -0.263 X(o=-0.26,f=-0.0052) USER MOD Single : A 32 THR OG1 : rot -88:sc= -4.49! USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.41 F(o=-3.9!,f=-1.4) USER MOD Single : A 36 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.4!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.408 F(o=-1.1,f=-0.41) USER MOD Single : A 42 SER OG : rot 93:sc= -1.21 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.39) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.033) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.942 (180deg=0.906) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -2.35 F(o=-3.9!,f=-2.4) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 2:sc= 0.0133 USER MOD Single : A 72 THR OG1 : rot -140:sc= -3.13! USER MOD Single : A 75 ASN :FLIP amide:sc= -3.12 F(o=-4,f=-3.1) USER MOD Single : A 79 ASN : amide:sc= -3.94! C(o=-3.9!,f=-5.6!) USER MOD Single : A 80 LYS NZ :NH3+ -146:sc= -0.16 (180deg=-1.08!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.2) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0422 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.106 -0.025 -6.910 1.00 0.00 N ATOM 2 CA MET A 1 185.633 0.224 -8.297 1.00 0.00 C ATOM 3 C MET A 1 184.372 -0.579 -8.602 1.00 0.00 C ATOM 4 O MET A 1 183.500 -0.125 -9.343 1.00 0.00 O ATOM 5 CB MET A 1 186.750 -0.160 -9.270 1.00 0.00 C ATOM 6 CG MET A 1 186.383 0.046 -10.730 1.00 0.00 C ATOM 7 SD MET A 1 185.853 1.733 -11.083 1.00 0.00 S ATOM 8 CE MET A 1 186.702 2.039 -12.629 1.00 0.00 C ATOM 0 H1 MET A 1 186.965 0.534 -6.730 1.00 0.00 H new ATOM 0 H2 MET A 1 185.365 0.253 -6.235 1.00 0.00 H new ATOM 0 H3 MET A 1 186.320 -1.036 -6.792 1.00 0.00 H new ATOM 0 HA MET A 1 185.385 1.280 -8.406 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.638 0.429 -9.041 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.012 -1.206 -9.114 1.00 0.00 H new ATOM 0 HG2 MET A 1 187.242 -0.199 -11.354 1.00 0.00 H new ATOM 0 HG3 MET A 1 185.585 -0.645 -11.001 1.00 0.00 H new ATOM 0 HE1 MET A 1 186.473 3.046 -12.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 187.777 1.943 -12.479 1.00 0.00 H new ATOM 0 HE3 MET A 1 186.373 1.314 -13.374 1.00 0.00 H new ATOM 20 N THR A 2 184.280 -1.771 -8.023 1.00 0.00 N ATOM 21 CA THR A 2 183.123 -2.634 -8.233 1.00 0.00 C ATOM 22 C THR A 2 181.907 -2.100 -7.477 1.00 0.00 C ATOM 23 O THR A 2 181.831 -0.911 -7.171 1.00 0.00 O ATOM 24 CB THR A 2 183.445 -4.064 -7.785 1.00 0.00 C ATOM 25 OG1 THR A 2 184.846 -4.269 -7.722 1.00 0.00 O ATOM 26 CG2 THR A 2 182.868 -5.121 -8.701 1.00 0.00 C ATOM 0 H THR A 2 184.992 -2.162 -7.405 1.00 0.00 H new ATOM 0 HA THR A 2 182.886 -2.643 -9.297 1.00 0.00 H new ATOM 0 HB THR A 2 182.987 -4.167 -6.801 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.200 -3.859 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 2 183.133 -6.110 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 2 181.783 -5.023 -8.732 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.272 -4.992 -9.705 1.00 0.00 H new ATOM 34 N MET A 3 180.957 -2.983 -7.178 1.00 0.00 N ATOM 35 CA MET A 3 179.750 -2.597 -6.457 1.00 0.00 C ATOM 36 C MET A 3 178.955 -3.834 -6.050 1.00 0.00 C ATOM 37 O MET A 3 177.786 -3.984 -6.406 1.00 0.00 O ATOM 38 CB MET A 3 178.886 -1.672 -7.317 1.00 0.00 C ATOM 39 CG MET A 3 178.684 -2.173 -8.737 1.00 0.00 C ATOM 40 SD MET A 3 177.025 -1.837 -9.363 1.00 0.00 S ATOM 41 CE MET A 3 176.771 -0.163 -8.778 1.00 0.00 C ATOM 0 H MET A 3 181.001 -3.972 -7.425 1.00 0.00 H new ATOM 0 HA MET A 3 180.044 -2.059 -5.556 1.00 0.00 H new ATOM 0 HB2 MET A 3 177.913 -1.552 -6.841 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.348 -0.685 -7.351 1.00 0.00 H new ATOM 0 HG2 MET A 3 179.417 -1.703 -9.392 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.870 -3.247 -8.769 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.084 0.356 -9.447 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.349 -0.189 -7.773 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.725 0.364 -8.758 1.00 0.00 H new ATOM 51 N ASN A 4 179.606 -4.722 -5.306 1.00 0.00 N ATOM 52 CA ASN A 4 178.972 -5.954 -4.849 1.00 0.00 C ATOM 53 C ASN A 4 177.908 -5.669 -3.794 1.00 0.00 C ATOM 54 O ASN A 4 178.204 -5.132 -2.727 1.00 0.00 O ATOM 55 CB ASN A 4 180.021 -6.911 -4.283 1.00 0.00 C ATOM 56 CG ASN A 4 180.612 -7.816 -5.347 1.00 0.00 C ATOM 57 OD1 ASN A 4 181.816 -7.788 -5.603 1.00 0.00 O ATOM 58 ND2 ASN A 4 179.765 -8.623 -5.973 1.00 0.00 N ATOM 0 H ASN A 4 180.575 -4.611 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 4 178.487 -6.419 -5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 4 180.820 -6.335 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 4 179.568 -7.521 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 4 180.104 -9.254 -6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 4 178.775 -8.612 -5.728 1.00 0.00 H new ATOM 65 N ILE A 5 176.668 -6.040 -4.098 1.00 0.00 N ATOM 66 CA ILE A 5 175.560 -5.834 -3.175 1.00 0.00 C ATOM 67 C ILE A 5 174.777 -7.126 -2.975 1.00 0.00 C ATOM 68 O ILE A 5 173.960 -7.502 -3.817 1.00 0.00 O ATOM 69 CB ILE A 5 174.591 -4.740 -3.674 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.361 -3.540 -4.232 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.667 -4.302 -2.547 1.00 0.00 C ATOM 72 CD1 ILE A 5 174.777 -2.992 -5.516 1.00 0.00 C ATOM 0 H ILE A 5 176.406 -6.485 -4.978 1.00 0.00 H new ATOM 0 HA ILE A 5 175.996 -5.512 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 5 173.988 -5.159 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.377 -2.749 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.396 -3.833 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.989 -3.530 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.089 -5.157 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.260 -3.904 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.373 -2.144 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.786 -3.769 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 5 173.751 -2.668 -5.340 1.00 0.00 H new ATOM 84 N THR A 6 175.031 -7.807 -1.863 1.00 0.00 N ATOM 85 CA THR A 6 174.348 -9.061 -1.569 1.00 0.00 C ATOM 86 C THR A 6 173.547 -8.968 -0.272 1.00 0.00 C ATOM 87 O THR A 6 174.113 -8.836 0.813 1.00 0.00 O ATOM 88 CB THR A 6 175.360 -10.212 -1.495 1.00 0.00 C ATOM 89 OG1 THR A 6 174.710 -11.460 -1.650 1.00 0.00 O ATOM 90 CG2 THR A 6 176.141 -10.262 -0.197 1.00 0.00 C ATOM 0 H THR A 6 175.702 -7.513 -1.153 1.00 0.00 H new ATOM 0 HA THR A 6 173.646 -9.260 -2.379 1.00 0.00 H new ATOM 0 HB THR A 6 176.061 -10.021 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 6 175.371 -12.182 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.835 -11.102 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 6 176.699 -9.334 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.451 -10.386 0.638 1.00 0.00 H new ATOM 98 N SER A 7 172.228 -9.044 -0.395 1.00 0.00 N ATOM 99 CA SER A 7 171.349 -8.977 0.766 1.00 0.00 C ATOM 100 C SER A 7 171.066 -10.376 1.307 1.00 0.00 C ATOM 101 O SER A 7 171.170 -11.364 0.581 1.00 0.00 O ATOM 102 CB SER A 7 170.039 -8.280 0.398 1.00 0.00 C ATOM 103 OG SER A 7 170.250 -6.900 0.159 1.00 0.00 O ATOM 0 H SER A 7 171.743 -9.152 -1.286 1.00 0.00 H new ATOM 0 HA SER A 7 171.849 -8.400 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.612 -8.746 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.316 -8.407 1.204 1.00 0.00 H new ATOM 0 HG SER A 7 169.726 -6.373 0.798 1.00 0.00 H new ATOM 109 N LYS A 8 170.719 -10.456 2.588 1.00 0.00 N ATOM 110 CA LYS A 8 170.434 -11.740 3.220 1.00 0.00 C ATOM 111 C LYS A 8 169.061 -12.270 2.809 1.00 0.00 C ATOM 112 O LYS A 8 168.953 -13.089 1.895 1.00 0.00 O ATOM 113 CB LYS A 8 170.516 -11.614 4.744 1.00 0.00 C ATOM 114 CG LYS A 8 171.928 -11.389 5.258 1.00 0.00 C ATOM 115 CD LYS A 8 171.949 -11.195 6.768 1.00 0.00 C ATOM 116 CE LYS A 8 172.529 -9.842 7.149 1.00 0.00 C ATOM 117 NZ LYS A 8 173.391 -9.929 8.360 1.00 0.00 N ATOM 0 H LYS A 8 170.629 -9.650 3.207 1.00 0.00 H new ATOM 0 HA LYS A 8 171.186 -12.452 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.884 -10.787 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 8 170.112 -12.519 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 8 172.553 -12.241 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 8 172.358 -10.513 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 8 170.936 -11.281 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 172.538 -11.987 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 8 173.112 -9.449 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 8 171.718 -9.137 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 173.767 -8.986 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 172.829 -10.280 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 174.180 -10.582 8.178 1.00 0.00 H new ATOM 131 N GLN A 9 168.016 -11.804 3.486 1.00 0.00 N ATOM 132 CA GLN A 9 166.656 -12.240 3.186 1.00 0.00 C ATOM 133 C GLN A 9 165.996 -11.307 2.178 1.00 0.00 C ATOM 134 O GLN A 9 165.446 -11.753 1.170 1.00 0.00 O ATOM 135 CB GLN A 9 165.820 -12.300 4.467 1.00 0.00 C ATOM 136 CG GLN A 9 166.560 -12.895 5.655 1.00 0.00 C ATOM 137 CD GLN A 9 166.597 -11.962 6.849 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.389 -12.383 7.988 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.862 -10.685 6.595 1.00 0.00 N ATOM 0 H GLN A 9 168.084 -11.126 4.245 1.00 0.00 H new ATOM 0 HA GLN A 9 166.710 -13.238 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 9 165.491 -11.293 4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.923 -12.889 4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 9 166.081 -13.830 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 9 167.580 -13.138 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 9 167.028 -10.380 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.899 -10.010 7.359 1.00 0.00 H new ATOM 148 N MET A 10 166.053 -10.009 2.458 1.00 0.00 N ATOM 149 CA MET A 10 165.462 -9.009 1.577 1.00 0.00 C ATOM 150 C MET A 10 166.289 -8.844 0.306 1.00 0.00 C ATOM 151 O MET A 10 167.470 -9.189 0.274 1.00 0.00 O ATOM 152 CB MET A 10 165.352 -7.669 2.308 1.00 0.00 C ATOM 153 CG MET A 10 164.716 -6.566 1.476 1.00 0.00 C ATOM 154 SD MET A 10 162.999 -6.921 1.049 1.00 0.00 S ATOM 155 CE MET A 10 162.178 -5.489 1.744 1.00 0.00 C ATOM 0 H MET A 10 166.503 -9.625 3.289 1.00 0.00 H new ATOM 0 HA MET A 10 164.465 -9.348 1.294 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.767 -7.809 3.217 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.348 -7.351 2.616 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.763 -5.627 2.028 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.293 -6.427 0.562 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.106 -5.560 1.562 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.362 -5.450 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 10 162.566 -4.584 1.276 1.00 0.00 H new ATOM 165 N GLU A 11 165.661 -8.315 -0.739 1.00 0.00 N ATOM 166 CA GLU A 11 166.340 -8.103 -2.011 1.00 0.00 C ATOM 167 C GLU A 11 166.694 -6.631 -2.196 1.00 0.00 C ATOM 168 O GLU A 11 166.401 -5.801 -1.335 1.00 0.00 O ATOM 169 CB GLU A 11 165.460 -8.580 -3.169 1.00 0.00 C ATOM 170 CG GLU A 11 164.014 -8.128 -3.057 1.00 0.00 C ATOM 171 CD GLU A 11 163.415 -7.756 -4.399 1.00 0.00 C ATOM 172 OE1 GLU A 11 163.973 -8.173 -5.435 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.388 -7.045 -4.415 1.00 0.00 O ATOM 0 H GLU A 11 164.683 -8.025 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 11 167.263 -8.683 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.876 -8.212 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.490 -9.669 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 163.422 -8.925 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 11 163.956 -7.270 -2.387 1.00 0.00 H new ATOM 180 N ILE A 12 167.322 -6.312 -3.323 1.00 0.00 N ATOM 181 CA ILE A 12 167.713 -4.936 -3.613 1.00 0.00 C ATOM 182 C ILE A 12 166.730 -4.285 -4.580 1.00 0.00 C ATOM 183 O ILE A 12 166.429 -4.835 -5.640 1.00 0.00 O ATOM 184 CB ILE A 12 169.138 -4.844 -4.209 1.00 0.00 C ATOM 185 CG1 ILE A 12 169.922 -6.138 -3.970 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.882 -3.657 -3.614 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.012 -6.531 -2.513 1.00 0.00 C ATOM 0 H ILE A 12 167.571 -6.984 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 12 167.703 -4.406 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 12 169.046 -4.700 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.450 -6.947 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 12 170.930 -6.021 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.883 -3.604 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.341 -2.738 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.955 -3.778 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.581 -7.456 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.511 -5.740 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.009 -6.680 -2.114 1.00 0.00 H new ATOM 199 N THR A 13 166.234 -3.110 -4.209 1.00 0.00 N ATOM 200 CA THR A 13 165.286 -2.382 -5.044 1.00 0.00 C ATOM 201 C THR A 13 166.007 -1.350 -5.908 1.00 0.00 C ATOM 202 O THR A 13 167.089 -0.881 -5.553 1.00 0.00 O ATOM 203 CB THR A 13 164.233 -1.691 -4.175 1.00 0.00 C ATOM 204 OG1 THR A 13 164.819 -0.657 -3.406 1.00 0.00 O ATOM 205 CG2 THR A 13 163.534 -2.633 -3.219 1.00 0.00 C ATOM 0 H THR A 13 166.473 -2.641 -3.335 1.00 0.00 H new ATOM 0 HA THR A 13 164.791 -3.098 -5.699 1.00 0.00 H new ATOM 0 HB THR A 13 163.496 -1.295 -4.874 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.130 -0.225 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.801 -2.079 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.030 -3.417 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.268 -3.083 -2.550 1.00 0.00 H new ATOM 213 N PRO A 14 165.415 -0.979 -7.057 1.00 0.00 N ATOM 214 CA PRO A 14 166.007 0.003 -7.969 1.00 0.00 C ATOM 215 C PRO A 14 166.357 1.308 -7.261 1.00 0.00 C ATOM 216 O PRO A 14 167.328 1.978 -7.614 1.00 0.00 O ATOM 217 CB PRO A 14 164.911 0.239 -9.022 1.00 0.00 C ATOM 218 CG PRO A 14 163.672 -0.369 -8.455 1.00 0.00 C ATOM 219 CD PRO A 14 164.129 -1.481 -7.557 1.00 0.00 C ATOM 0 HA PRO A 14 166.945 -0.355 -8.394 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.773 1.303 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.175 -0.224 -9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 14 163.095 0.369 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 14 163.026 -0.748 -9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.423 -1.665 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.243 -2.420 -8.099 1.00 0.00 H new ATOM 227 N ALA A 15 165.563 1.661 -6.256 1.00 0.00 N ATOM 228 CA ALA A 15 165.792 2.883 -5.496 1.00 0.00 C ATOM 229 C ALA A 15 167.086 2.792 -4.694 1.00 0.00 C ATOM 230 O ALA A 15 167.920 3.695 -4.739 1.00 0.00 O ATOM 231 CB ALA A 15 164.615 3.158 -4.573 1.00 0.00 C ATOM 0 H ALA A 15 164.756 1.118 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 15 165.887 3.710 -6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.799 4.074 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.707 3.272 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.494 2.325 -3.880 1.00 0.00 H new ATOM 237 N ILE A 16 167.245 1.694 -3.963 1.00 0.00 N ATOM 238 CA ILE A 16 168.437 1.483 -3.149 1.00 0.00 C ATOM 239 C ILE A 16 169.695 1.447 -4.013 1.00 0.00 C ATOM 240 O ILE A 16 170.658 2.167 -3.749 1.00 0.00 O ATOM 241 CB ILE A 16 168.338 0.174 -2.338 1.00 0.00 C ATOM 242 CG1 ILE A 16 167.127 0.223 -1.406 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.617 -0.066 -1.541 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.776 -1.118 -0.798 1.00 0.00 C ATOM 0 H ILE A 16 166.564 0.936 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 16 168.503 2.323 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 16 168.212 -0.656 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.324 0.935 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 16 166.267 0.597 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.525 -0.994 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.463 -0.139 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.777 0.763 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.908 -1.007 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.547 -1.829 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.620 -1.485 -0.215 1.00 0.00 H new ATOM 256 N ARG A 17 169.683 0.607 -5.044 1.00 0.00 N ATOM 257 CA ARG A 17 170.830 0.485 -5.938 1.00 0.00 C ATOM 258 C ARG A 17 171.236 1.851 -6.487 1.00 0.00 C ATOM 259 O ARG A 17 172.419 2.125 -6.688 1.00 0.00 O ATOM 260 CB ARG A 17 170.517 -0.489 -7.084 1.00 0.00 C ATOM 261 CG ARG A 17 169.887 0.164 -8.307 1.00 0.00 C ATOM 262 CD ARG A 17 170.944 0.706 -9.257 1.00 0.00 C ATOM 263 NE ARG A 17 170.760 0.212 -10.620 1.00 0.00 N ATOM 264 CZ ARG A 17 169.783 0.619 -11.429 1.00 0.00 C ATOM 265 NH1 ARG A 17 168.904 1.522 -11.017 1.00 0.00 N ATOM 266 NH2 ARG A 17 169.686 0.120 -12.653 1.00 0.00 N ATOM 0 H ARG A 17 168.896 0.003 -5.280 1.00 0.00 H new ATOM 0 HA ARG A 17 171.669 0.086 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.440 -0.985 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.845 -1.264 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 17 169.266 -0.563 -8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.231 0.975 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.906 1.795 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.933 0.422 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 17 171.417 -0.484 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 17 168.974 1.909 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 17 168.158 1.830 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 17 170.359 -0.575 -12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 17 168.938 0.431 -13.273 1.00 0.00 H new ATOM 280 N GLN A 18 170.245 2.706 -6.722 1.00 0.00 N ATOM 281 CA GLN A 18 170.498 4.045 -7.241 1.00 0.00 C ATOM 282 C GLN A 18 171.221 4.895 -6.201 1.00 0.00 C ATOM 283 O GLN A 18 172.177 5.604 -6.519 1.00 0.00 O ATOM 284 CB GLN A 18 169.184 4.717 -7.643 1.00 0.00 C ATOM 285 CG GLN A 18 169.365 5.867 -8.622 1.00 0.00 C ATOM 286 CD GLN A 18 170.020 5.431 -9.918 1.00 0.00 C ATOM 287 OE1 GLN A 18 171.244 5.343 -10.010 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.205 5.157 -10.930 1.00 0.00 N ATOM 0 H GLN A 18 169.260 2.495 -6.561 1.00 0.00 H new ATOM 0 HA GLN A 18 171.133 3.956 -8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.525 3.971 -8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.686 5.088 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.393 6.309 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.971 6.644 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 18 168.196 5.243 -10.810 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.588 4.860 -11.827 1.00 0.00 H new ATOM 297 N HIS A 19 170.757 4.820 -4.958 1.00 0.00 N ATOM 298 CA HIS A 19 171.360 5.579 -3.869 1.00 0.00 C ATOM 299 C HIS A 19 172.820 5.183 -3.680 1.00 0.00 C ATOM 300 O HIS A 19 173.659 6.013 -3.329 1.00 0.00 O ATOM 301 CB HIS A 19 170.581 5.352 -2.570 1.00 0.00 C ATOM 302 CG HIS A 19 169.847 6.565 -2.092 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.051 7.336 -2.912 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.789 7.141 -0.868 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.537 8.333 -2.216 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.968 8.236 -0.971 1.00 0.00 N ATOM 0 H HIS A 19 169.965 4.241 -4.680 1.00 0.00 H new ATOM 0 HA HIS A 19 171.320 6.638 -4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.868 4.542 -2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.273 5.027 -1.793 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.295 6.802 0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.877 9.097 -2.599 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.729 8.872 -0.210 1.00 0.00 H new ATOM 315 N VAL A 20 173.116 3.909 -3.915 1.00 0.00 N ATOM 316 CA VAL A 20 174.474 3.399 -3.771 1.00 0.00 C ATOM 317 C VAL A 20 175.350 3.845 -4.937 1.00 0.00 C ATOM 318 O VAL A 20 176.477 4.300 -4.741 1.00 0.00 O ATOM 319 CB VAL A 20 174.497 1.859 -3.687 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.834 1.374 -3.150 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.351 1.349 -2.825 1.00 0.00 C ATOM 0 H VAL A 20 172.432 3.210 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 20 174.868 3.809 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 20 174.367 1.459 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.832 0.285 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.634 1.704 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.996 1.785 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.386 0.261 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.443 1.757 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.402 1.663 -3.259 1.00 0.00 H new ATOM 331 N ALA A 21 174.823 3.714 -6.150 1.00 0.00 N ATOM 332 CA ALA A 21 175.555 4.104 -7.350 1.00 0.00 C ATOM 333 C ALA A 21 175.937 5.580 -7.299 1.00 0.00 C ATOM 334 O ALA A 21 177.028 5.964 -7.723 1.00 0.00 O ATOM 335 CB ALA A 21 174.726 3.813 -8.592 1.00 0.00 C ATOM 0 H ALA A 21 173.891 3.340 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 21 176.473 3.518 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.285 4.109 -9.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.506 2.747 -8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.793 4.375 -8.546 1.00 0.00 H new ATOM 341 N ASP A 22 175.032 6.402 -6.779 1.00 0.00 N ATOM 342 CA ASP A 22 175.275 7.835 -6.670 1.00 0.00 C ATOM 343 C ASP A 22 176.386 8.122 -5.665 1.00 0.00 C ATOM 344 O ASP A 22 177.337 8.842 -5.965 1.00 0.00 O ATOM 345 CB ASP A 22 173.995 8.560 -6.254 1.00 0.00 C ATOM 346 CG ASP A 22 174.169 10.065 -6.214 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.669 10.579 -5.192 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.808 10.732 -7.207 1.00 0.00 O ATOM 0 H ASP A 22 174.124 6.100 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 22 175.590 8.201 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.195 8.308 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.684 8.207 -5.271 1.00 0.00 H new ATOM 353 N ARG A 23 176.257 7.552 -4.471 1.00 0.00 N ATOM 354 CA ARG A 23 177.251 7.745 -3.423 1.00 0.00 C ATOM 355 C ARG A 23 178.586 7.123 -3.821 1.00 0.00 C ATOM 356 O ARG A 23 179.635 7.754 -3.704 1.00 0.00 O ATOM 357 CB ARG A 23 176.760 7.138 -2.106 1.00 0.00 C ATOM 358 CG ARG A 23 176.356 8.178 -1.073 1.00 0.00 C ATOM 359 CD ARG A 23 174.870 8.488 -1.146 1.00 0.00 C ATOM 360 NE ARG A 23 174.409 9.247 0.015 1.00 0.00 N ATOM 361 CZ ARG A 23 173.163 9.687 0.167 1.00 0.00 C ATOM 362 NH1 ARG A 23 172.249 9.447 -0.765 1.00 0.00 N ATOM 363 NH2 ARG A 23 172.829 10.370 1.254 1.00 0.00 N ATOM 0 H ARG A 23 175.475 6.954 -4.206 1.00 0.00 H new ATOM 0 HA ARG A 23 177.397 8.816 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.908 6.489 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 23 177.547 6.510 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 23 176.605 7.817 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 23 176.928 9.092 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.662 9.054 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 23 174.309 7.556 -1.216 1.00 0.00 H new ATOM 0 HE ARG A 23 175.083 9.451 0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 23 172.501 8.923 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 23 171.295 9.787 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 23 173.528 10.558 1.973 1.00 0.00 H new ATOM 0 HH22 ARG A 23 171.874 10.708 1.371 1.00 0.00 H new ATOM 377 N LEU A 24 178.537 5.880 -4.294 1.00 0.00 N ATOM 378 CA LEU A 24 179.742 5.174 -4.711 1.00 0.00 C ATOM 379 C LEU A 24 180.449 5.927 -5.834 1.00 0.00 C ATOM 380 O LEU A 24 181.676 5.906 -5.931 1.00 0.00 O ATOM 381 CB LEU A 24 179.393 3.758 -5.174 1.00 0.00 C ATOM 382 CG LEU A 24 180.513 2.727 -5.002 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.175 1.749 -3.887 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.759 1.983 -6.308 1.00 0.00 C ATOM 0 H LEU A 24 177.676 5.343 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 24 180.415 5.114 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.517 3.417 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 179.112 3.795 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 24 181.426 3.256 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 24 180.983 1.025 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.050 2.293 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.249 1.227 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.558 1.255 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.847 1.468 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 24 181.048 2.693 -7.083 1.00 0.00 H new ATOM 396 N ALA A 25 179.668 6.593 -6.676 1.00 0.00 N ATOM 397 CA ALA A 25 180.218 7.355 -7.790 1.00 0.00 C ATOM 398 C ALA A 25 181.060 8.524 -7.290 1.00 0.00 C ATOM 399 O ALA A 25 182.247 8.623 -7.599 1.00 0.00 O ATOM 400 CB ALA A 25 179.099 7.854 -8.692 1.00 0.00 C ATOM 0 H ALA A 25 178.651 6.621 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 25 180.866 6.695 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.525 8.421 -9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.541 7.004 -9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.429 8.495 -8.119 1.00 0.00 H new ATOM 406 N LYS A 26 180.438 9.406 -6.514 1.00 0.00 N ATOM 407 CA LYS A 26 181.132 10.566 -5.968 1.00 0.00 C ATOM 408 C LYS A 26 182.248 10.139 -5.019 1.00 0.00 C ATOM 409 O LYS A 26 183.186 10.896 -4.770 1.00 0.00 O ATOM 410 CB LYS A 26 180.146 11.481 -5.239 1.00 0.00 C ATOM 411 CG LYS A 26 179.546 10.859 -3.988 1.00 0.00 C ATOM 412 CD LYS A 26 179.641 11.796 -2.795 1.00 0.00 C ATOM 413 CE LYS A 26 178.364 12.603 -2.617 1.00 0.00 C ATOM 414 NZ LYS A 26 178.257 13.701 -3.618 1.00 0.00 N ATOM 0 H LYS A 26 179.455 9.339 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 26 181.578 11.114 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 26 180.655 12.405 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.341 11.750 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.501 10.608 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 26 180.063 9.927 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 26 179.836 11.218 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 180.485 12.473 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 26 177.502 11.943 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 26 178.338 13.024 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 177.373 14.227 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 179.067 14.346 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 178.256 13.298 -4.577 1.00 0.00 H new ATOM 428 N LEU A 27 182.142 8.921 -4.491 1.00 0.00 N ATOM 429 CA LEU A 27 183.144 8.397 -3.571 1.00 0.00 C ATOM 430 C LEU A 27 184.510 8.282 -4.245 1.00 0.00 C ATOM 431 O LEU A 27 185.532 8.157 -3.574 1.00 0.00 O ATOM 432 CB LEU A 27 182.709 7.029 -3.037 1.00 0.00 C ATOM 433 CG LEU A 27 183.021 6.782 -1.559 1.00 0.00 C ATOM 434 CD1 LEU A 27 182.155 5.655 -1.013 1.00 0.00 C ATOM 435 CD2 LEU A 27 184.499 6.464 -1.371 1.00 0.00 C ATOM 0 H LEU A 27 181.372 8.281 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 27 183.233 9.097 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.635 6.921 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.194 6.253 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 27 182.793 7.690 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 182.390 5.493 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 27 181.103 5.923 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 182.351 4.741 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.702 6.291 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.754 5.570 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 185.099 7.303 -1.724 1.00 0.00 H new ATOM 447 N GLU A 28 184.522 8.323 -5.573 1.00 0.00 N ATOM 448 CA GLU A 28 185.763 8.221 -6.331 1.00 0.00 C ATOM 449 C GLU A 28 186.740 9.337 -5.954 1.00 0.00 C ATOM 450 O GLU A 28 187.935 9.240 -6.232 1.00 0.00 O ATOM 451 CB GLU A 28 185.467 8.269 -7.832 1.00 0.00 C ATOM 452 CG GLU A 28 186.711 8.340 -8.704 1.00 0.00 C ATOM 453 CD GLU A 28 187.089 9.764 -9.068 1.00 0.00 C ATOM 454 OE1 GLU A 28 186.246 10.668 -8.884 1.00 0.00 O ATOM 455 OE2 GLU A 28 188.227 9.976 -9.536 1.00 0.00 O ATOM 0 H GLU A 28 183.685 8.426 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 28 186.230 7.267 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.892 7.385 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.839 9.135 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 28 187.544 7.869 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.543 7.768 -9.617 1.00 0.00 H new ATOM 462 N LYS A 29 186.231 10.397 -5.330 1.00 0.00 N ATOM 463 CA LYS A 29 187.074 11.521 -4.937 1.00 0.00 C ATOM 464 C LYS A 29 187.413 11.485 -3.447 1.00 0.00 C ATOM 465 O LYS A 29 187.730 12.516 -2.854 1.00 0.00 O ATOM 466 CB LYS A 29 186.393 12.846 -5.290 1.00 0.00 C ATOM 467 CG LYS A 29 185.194 13.172 -4.413 1.00 0.00 C ATOM 468 CD LYS A 29 185.456 14.383 -3.530 1.00 0.00 C ATOM 469 CE LYS A 29 184.883 15.653 -4.137 1.00 0.00 C ATOM 470 NZ LYS A 29 184.040 16.402 -3.163 1.00 0.00 N ATOM 0 H LYS A 29 185.246 10.500 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 29 188.009 11.438 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 29 187.122 13.652 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 29 186.072 12.813 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 29 184.324 13.361 -5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 29 184.955 12.311 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.016 14.219 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 29 186.530 14.502 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 29 185.697 16.292 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 29 184.287 15.400 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 183.668 17.262 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 183.248 15.802 -2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.615 16.666 -2.338 1.00 0.00 H new ATOM 484 N TRP A 30 187.360 10.299 -2.850 1.00 0.00 N ATOM 485 CA TRP A 30 187.681 10.152 -1.435 1.00 0.00 C ATOM 486 C TRP A 30 189.153 9.789 -1.248 1.00 0.00 C ATOM 487 O TRP A 30 189.578 9.427 -0.153 1.00 0.00 O ATOM 488 CB TRP A 30 186.792 9.084 -0.789 1.00 0.00 C ATOM 489 CG TRP A 30 185.744 9.651 0.121 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.399 9.696 -0.105 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.955 10.252 1.406 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.759 10.288 0.957 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.693 10.637 1.898 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.085 10.500 2.186 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.534 11.258 3.134 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.926 11.115 3.414 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.659 11.487 3.878 1.00 0.00 C ATOM 0 H TRP A 30 187.100 9.432 -3.320 1.00 0.00 H new ATOM 0 HA TRP A 30 187.494 11.108 -0.946 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.306 8.504 -1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.418 8.394 -0.224 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.908 9.320 -0.991 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.754 10.443 1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.067 10.216 1.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.558 11.548 3.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.794 11.312 4.026 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.568 11.964 4.842 1.00 0.00 H new ATOM 508 N GLN A 31 189.929 9.884 -2.327 1.00 0.00 N ATOM 509 CA GLN A 31 191.356 9.570 -2.288 1.00 0.00 C ATOM 510 C GLN A 31 191.621 8.146 -1.786 1.00 0.00 C ATOM 511 O GLN A 31 192.772 7.759 -1.586 1.00 0.00 O ATOM 512 CB GLN A 31 192.090 10.603 -1.422 1.00 0.00 C ATOM 513 CG GLN A 31 192.533 10.097 -0.056 1.00 0.00 C ATOM 514 CD GLN A 31 193.012 11.214 0.849 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.115 11.158 1.395 1.00 0.00 O ATOM 516 NE2 GLN A 31 192.184 12.240 1.014 1.00 0.00 N ATOM 0 H GLN A 31 189.591 10.178 -3.243 1.00 0.00 H new ATOM 0 HA GLN A 31 191.739 9.618 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 31 192.968 10.953 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.438 11.465 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 31 191.703 9.577 0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.334 9.369 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 31 191.279 12.246 0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 192.453 13.021 1.612 1.00 0.00 H new ATOM 525 N THR A 32 190.559 7.371 -1.589 1.00 0.00 N ATOM 526 CA THR A 32 190.702 5.996 -1.117 1.00 0.00 C ATOM 527 C THR A 32 191.064 5.059 -2.272 1.00 0.00 C ATOM 528 O THR A 32 192.098 4.402 -2.236 1.00 0.00 O ATOM 529 CB THR A 32 189.424 5.529 -0.412 1.00 0.00 C ATOM 530 OG1 THR A 32 189.536 4.172 -0.030 1.00 0.00 O ATOM 531 CG2 THR A 32 188.169 5.667 -1.249 1.00 0.00 C ATOM 0 H THR A 32 189.596 7.668 -1.747 1.00 0.00 H new ATOM 0 HA THR A 32 191.517 5.967 -0.393 1.00 0.00 H new ATOM 0 HB THR A 32 189.325 6.185 0.453 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.236 3.599 -0.766 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.310 5.315 -0.678 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.023 6.714 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 32 188.270 5.072 -2.157 1.00 0.00 H new ATOM 539 N HIS A 33 190.209 5.019 -3.293 1.00 0.00 N ATOM 540 CA HIS A 33 190.417 4.185 -4.489 1.00 0.00 C ATOM 541 C HIS A 33 189.778 2.798 -4.339 1.00 0.00 C ATOM 542 O HIS A 33 189.937 1.947 -5.213 1.00 0.00 O ATOM 543 CB HIS A 33 191.915 4.096 -4.874 1.00 0.00 C ATOM 544 CG HIS A 33 192.471 2.706 -4.982 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.445 1.668 -4.115 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.159 2.256 -6.090 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 193.109 0.623 -4.706 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 193.529 1.002 -5.899 1.00 0.00 N flip ATOM 0 H HIS A 33 189.347 5.564 -3.320 1.00 0.00 H new ATOM 0 HA HIS A 33 189.906 4.679 -5.315 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.058 4.601 -5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.496 4.645 -4.133 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.363 2.838 -6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 33 193.263 -0.351 -4.267 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.050 0.426 -6.560 1.00 0.00 H new ATOM 557 N LEU A 34 189.055 2.587 -3.230 1.00 0.00 N ATOM 558 CA LEU A 34 188.368 1.317 -2.941 1.00 0.00 C ATOM 559 C LEU A 34 188.215 0.420 -4.174 1.00 0.00 C ATOM 560 O LEU A 34 187.878 0.887 -5.261 1.00 0.00 O ATOM 561 CB LEU A 34 186.990 1.600 -2.330 1.00 0.00 C ATOM 562 CG LEU A 34 185.996 2.390 -3.199 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.028 3.149 -2.311 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.700 3.362 -4.138 1.00 0.00 C ATOM 0 H LEU A 34 188.929 3.293 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 34 188.993 0.774 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.531 0.646 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 187.137 2.147 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 34 185.455 1.671 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 34 184.326 3.707 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 34 184.479 2.445 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 34 185.582 3.842 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.958 3.897 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.281 4.076 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 34 187.365 2.810 -4.802 1.00 0.00 H new ATOM 576 N ILE A 35 188.477 -0.872 -3.995 1.00 0.00 N ATOM 577 CA ILE A 35 188.387 -1.823 -5.100 1.00 0.00 C ATOM 578 C ILE A 35 187.219 -2.795 -4.936 1.00 0.00 C ATOM 579 O ILE A 35 186.455 -3.020 -5.876 1.00 0.00 O ATOM 580 CB ILE A 35 189.684 -2.650 -5.253 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.898 -1.879 -4.721 1.00 0.00 C ATOM 582 CG2 ILE A 35 189.893 -3.032 -6.711 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.456 -2.446 -3.433 1.00 0.00 C ATOM 0 H ILE A 35 188.751 -1.283 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 35 188.228 -1.217 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 35 189.580 -3.559 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.681 -1.882 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.615 -0.839 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.809 -3.614 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.047 -3.627 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 35 189.972 -2.129 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.313 -1.852 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 35 190.688 -2.418 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.770 -3.477 -3.595 1.00 0.00 H new ATOM 595 N ASN A 36 187.107 -3.393 -3.754 1.00 0.00 N ATOM 596 CA ASN A 36 186.054 -4.371 -3.490 1.00 0.00 C ATOM 597 C ASN A 36 184.963 -3.823 -2.565 1.00 0.00 C ATOM 598 O ASN A 36 184.945 -4.116 -1.370 1.00 0.00 O ATOM 599 CB ASN A 36 186.670 -5.633 -2.882 1.00 0.00 C ATOM 600 CG ASN A 36 186.623 -6.816 -3.830 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.876 -6.814 -4.808 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.424 -7.835 -3.544 1.00 0.00 N ATOM 0 H ASN A 36 187.730 -3.219 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 36 185.577 -4.606 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.706 -5.432 -2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.140 -5.886 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.436 -8.659 -4.146 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.027 -7.794 -2.723 1.00 0.00 H new ATOM 609 N PRO A 37 184.028 -3.027 -3.114 1.00 0.00 N ATOM 610 CA PRO A 37 182.925 -2.448 -2.347 1.00 0.00 C ATOM 611 C PRO A 37 181.785 -3.436 -2.137 1.00 0.00 C ATOM 612 O PRO A 37 181.189 -3.925 -3.097 1.00 0.00 O ATOM 613 CB PRO A 37 182.468 -1.295 -3.233 1.00 0.00 C ATOM 614 CG PRO A 37 182.730 -1.780 -4.615 1.00 0.00 C ATOM 615 CD PRO A 37 183.972 -2.627 -4.531 1.00 0.00 C ATOM 0 HA PRO A 37 183.230 -2.149 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.412 -1.069 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.023 -0.382 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.887 -2.360 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.873 -0.945 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.911 -3.494 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.860 -2.066 -4.824 1.00 0.00 H new ATOM 623 N HIS A 38 181.485 -3.724 -0.879 1.00 0.00 N ATOM 624 CA HIS A 38 180.411 -4.656 -0.539 1.00 0.00 C ATOM 625 C HIS A 38 179.255 -3.935 0.155 1.00 0.00 C ATOM 626 O HIS A 38 179.469 -3.028 0.958 1.00 0.00 O ATOM 627 CB HIS A 38 180.943 -5.780 0.354 1.00 0.00 C ATOM 628 CG HIS A 38 181.051 -7.098 -0.346 1.00 0.00 C ATOM 629 ND1 HIS A 38 180.132 -7.812 -1.037 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 182.216 -7.836 -0.384 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 180.753 -8.956 -1.476 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 182.008 -8.947 -1.069 1.00 0.00 N flip ATOM 0 H HIS A 38 181.969 -3.327 -0.073 1.00 0.00 H new ATOM 0 HA HIS A 38 180.035 -5.088 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.925 -5.498 0.734 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.287 -5.889 1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 38 183.151 -7.551 0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 38 180.289 -9.737 -2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 38 182.700 -9.674 -1.252 1.00 0.00 H new ATOM 641 N ILE A 39 178.030 -4.348 -0.165 1.00 0.00 N ATOM 642 CA ILE A 39 176.833 -3.748 0.419 1.00 0.00 C ATOM 643 C ILE A 39 175.784 -4.813 0.737 1.00 0.00 C ATOM 644 O ILE A 39 175.279 -5.485 -0.162 1.00 0.00 O ATOM 645 CB ILE A 39 176.211 -2.699 -0.532 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.207 -1.562 -0.807 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.905 -2.156 0.043 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.101 -0.392 0.149 1.00 0.00 C ATOM 0 H ILE A 39 177.841 -5.099 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 39 177.141 -3.257 1.342 1.00 0.00 H new ATOM 0 HB ILE A 39 175.983 -3.186 -1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.219 -1.963 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.054 -1.200 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.484 -1.420 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.197 -2.975 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.100 -1.686 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 39 177.840 0.364 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.102 0.039 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.285 -0.736 1.167 1.00 0.00 H new ATOM 660 N ILE A 40 175.456 -4.963 2.017 1.00 0.00 N ATOM 661 CA ILE A 40 174.463 -5.948 2.438 1.00 0.00 C ATOM 662 C ILE A 40 173.227 -5.268 3.019 1.00 0.00 C ATOM 663 O ILE A 40 173.285 -4.660 4.088 1.00 0.00 O ATOM 664 CB ILE A 40 175.043 -6.922 3.481 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.367 -7.501 2.982 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.051 -8.037 3.779 1.00 0.00 C ATOM 667 CD1 ILE A 40 176.997 -8.488 3.941 1.00 0.00 C ATOM 0 H ILE A 40 175.861 -4.418 2.778 1.00 0.00 H new ATOM 0 HA ILE A 40 174.179 -6.511 1.549 1.00 0.00 H new ATOM 0 HB ILE A 40 175.229 -6.374 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.200 -7.994 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.066 -6.684 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.477 -8.716 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.128 -7.608 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.836 -8.587 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 40 177.933 -8.857 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.196 -7.995 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.317 -9.324 4.102 1.00 0.00 H new ATOM 679 N LEU A 41 172.110 -5.374 2.304 1.00 0.00 N ATOM 680 CA LEU A 41 170.857 -4.766 2.742 1.00 0.00 C ATOM 681 C LEU A 41 169.846 -5.834 3.154 1.00 0.00 C ATOM 682 O LEU A 41 169.191 -6.441 2.308 1.00 0.00 O ATOM 683 CB LEU A 41 170.282 -3.892 1.619 1.00 0.00 C ATOM 684 CG LEU A 41 168.812 -3.486 1.782 1.00 0.00 C ATOM 685 CD1 LEU A 41 168.678 -1.973 1.871 1.00 0.00 C ATOM 686 CD2 LEU A 41 167.979 -4.031 0.631 1.00 0.00 C ATOM 0 H LEU A 41 172.047 -5.876 1.418 1.00 0.00 H new ATOM 0 HA LEU A 41 171.061 -4.142 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 41 170.884 -2.987 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.390 -4.427 0.675 1.00 0.00 H new ATOM 0 HG LEU A 41 168.439 -3.916 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 41 167.627 -1.707 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.241 -1.608 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.069 -1.519 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 41 166.939 -3.734 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.355 -3.631 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.046 -5.119 0.616 1.00 0.00 H new ATOM 698 N SER A 42 169.721 -6.056 4.458 1.00 0.00 N ATOM 699 CA SER A 42 168.786 -7.049 4.978 1.00 0.00 C ATOM 700 C SER A 42 167.638 -6.382 5.732 1.00 0.00 C ATOM 701 O SER A 42 167.742 -5.226 6.143 1.00 0.00 O ATOM 702 CB SER A 42 169.513 -8.034 5.894 1.00 0.00 C ATOM 703 OG SER A 42 170.585 -8.666 5.215 1.00 0.00 O ATOM 0 H SER A 42 170.254 -5.563 5.174 1.00 0.00 H new ATOM 0 HA SER A 42 168.367 -7.593 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.893 -7.508 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.812 -8.787 6.253 1.00 0.00 H new ATOM 0 HG SER A 42 171.412 -8.163 5.369 1.00 0.00 H new ATOM 709 N LYS A 43 166.545 -7.118 5.910 1.00 0.00 N ATOM 710 CA LYS A 43 165.376 -6.597 6.612 1.00 0.00 C ATOM 711 C LYS A 43 165.336 -7.092 8.053 1.00 0.00 C ATOM 712 O LYS A 43 165.184 -8.287 8.307 1.00 0.00 O ATOM 713 CB LYS A 43 164.094 -7.006 5.882 1.00 0.00 C ATOM 714 CG LYS A 43 162.872 -6.200 6.295 1.00 0.00 C ATOM 715 CD LYS A 43 161.646 -7.085 6.452 1.00 0.00 C ATOM 716 CE LYS A 43 161.858 -8.154 7.513 1.00 0.00 C ATOM 717 NZ LYS A 43 160.881 -8.030 8.631 1.00 0.00 N ATOM 0 H LYS A 43 166.444 -8.077 5.578 1.00 0.00 H new ATOM 0 HA LYS A 43 165.448 -5.509 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.246 -6.894 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.901 -8.063 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.074 -5.687 7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.673 -5.431 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 160.786 -6.471 6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.415 -7.559 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.765 -9.140 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 43 162.872 -8.078 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 161.060 -8.777 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.986 -7.099 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.914 -8.128 8.260 1.00 0.00 H new ATOM 731 N GLU A 44 165.469 -6.162 8.992 1.00 0.00 N ATOM 732 CA GLU A 44 165.447 -6.497 10.412 1.00 0.00 C ATOM 733 C GLU A 44 164.166 -5.984 11.069 1.00 0.00 C ATOM 734 O GLU A 44 163.706 -4.883 10.771 1.00 0.00 O ATOM 735 CB GLU A 44 166.682 -5.910 11.108 1.00 0.00 C ATOM 736 CG GLU A 44 166.522 -5.702 12.607 1.00 0.00 C ATOM 737 CD GLU A 44 167.823 -5.319 13.284 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.566 -4.492 12.716 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.098 -5.848 14.382 1.00 0.00 O ATOM 0 H GLU A 44 165.593 -5.169 8.796 1.00 0.00 H new ATOM 0 HA GLU A 44 165.468 -7.582 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.530 -6.572 10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.924 -4.953 10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 44 165.781 -4.923 12.785 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.137 -6.617 13.058 1.00 0.00 H new ATOM 746 N PRO A 45 163.570 -6.787 11.974 1.00 0.00 N ATOM 747 CA PRO A 45 162.342 -6.432 12.679 1.00 0.00 C ATOM 748 C PRO A 45 162.224 -4.939 12.977 1.00 0.00 C ATOM 749 O PRO A 45 161.180 -4.331 12.748 1.00 0.00 O ATOM 750 CB PRO A 45 162.462 -7.214 13.989 1.00 0.00 C ATOM 751 CG PRO A 45 163.382 -8.363 13.711 1.00 0.00 C ATOM 752 CD PRO A 45 164.048 -8.117 12.377 1.00 0.00 C ATOM 0 HA PRO A 45 161.459 -6.666 12.084 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.858 -6.582 14.784 1.00 0.00 H new ATOM 0 HB3 PRO A 45 161.486 -7.569 14.321 1.00 0.00 H new ATOM 0 HG2 PRO A 45 164.130 -8.452 14.499 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.826 -9.300 13.692 1.00 0.00 H new ATOM 0 HD2 PRO A 45 165.134 -8.140 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.771 -8.878 11.647 1.00 0.00 H new ATOM 760 N GLN A 46 163.296 -4.361 13.510 1.00 0.00 N ATOM 761 CA GLN A 46 163.302 -2.946 13.865 1.00 0.00 C ATOM 762 C GLN A 46 164.021 -2.088 12.821 1.00 0.00 C ATOM 763 O GLN A 46 164.890 -1.283 13.161 1.00 0.00 O ATOM 764 CB GLN A 46 163.957 -2.760 15.236 1.00 0.00 C ATOM 765 CG GLN A 46 163.213 -1.792 16.141 1.00 0.00 C ATOM 766 CD GLN A 46 161.760 -2.178 16.338 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.867 -1.334 16.268 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.515 -3.460 16.588 1.00 0.00 N ATOM 0 H GLN A 46 164.170 -4.849 13.705 1.00 0.00 H new ATOM 0 HA GLN A 46 162.265 -2.612 13.900 1.00 0.00 H new ATOM 0 HB2 GLN A 46 164.024 -3.729 15.731 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.977 -2.402 15.096 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.709 -1.752 17.111 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.264 -0.790 15.715 1.00 0.00 H new ATOM 0 HE21 GLN A 46 162.286 -4.126 16.637 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.556 -3.778 16.730 1.00 0.00 H new ATOM 777 N GLY A 47 163.645 -2.243 11.553 1.00 0.00 N ATOM 778 CA GLY A 47 164.258 -1.448 10.499 1.00 0.00 C ATOM 779 C GLY A 47 165.210 -2.234 9.615 1.00 0.00 C ATOM 780 O GLY A 47 165.470 -3.413 9.854 1.00 0.00 O ATOM 0 H GLY A 47 162.932 -2.900 11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.473 -1.017 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.799 -0.617 10.951 1.00 0.00 H new ATOM 784 N PHE A 48 165.728 -1.565 8.585 1.00 0.00 N ATOM 785 CA PHE A 48 166.659 -2.179 7.641 1.00 0.00 C ATOM 786 C PHE A 48 168.065 -2.251 8.220 1.00 0.00 C ATOM 787 O PHE A 48 168.478 -1.372 8.977 1.00 0.00 O ATOM 788 CB PHE A 48 166.707 -1.373 6.339 1.00 0.00 C ATOM 789 CG PHE A 48 165.623 -1.696 5.348 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.050 -2.957 5.291 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.185 -0.727 4.461 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.061 -3.243 4.369 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.197 -1.006 3.539 1.00 0.00 C ATOM 794 CZ PHE A 48 163.635 -2.266 3.492 1.00 0.00 C ATOM 0 H PHE A 48 165.515 -0.588 8.383 1.00 0.00 H new ATOM 0 HA PHE A 48 166.302 -3.190 7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.649 -0.312 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.674 -1.538 5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 48 165.380 -3.725 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.622 0.260 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.622 -4.229 4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.864 -0.240 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 48 162.863 -2.487 2.770 1.00 0.00 H new ATOM 804 N VAL A 49 168.800 -3.296 7.843 1.00 0.00 N ATOM 805 CA VAL A 49 170.170 -3.486 8.308 1.00 0.00 C ATOM 806 C VAL A 49 171.164 -3.294 7.166 1.00 0.00 C ATOM 807 O VAL A 49 171.554 -4.256 6.504 1.00 0.00 O ATOM 808 CB VAL A 49 170.376 -4.889 8.904 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.752 -5.005 9.541 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.284 -5.199 9.912 1.00 0.00 C ATOM 0 H VAL A 49 168.466 -4.026 7.214 1.00 0.00 H new ATOM 0 HA VAL A 49 170.345 -2.739 9.082 1.00 0.00 H new ATOM 0 HB VAL A 49 170.316 -5.621 8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.877 -6.005 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.518 -4.827 8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.848 -4.267 10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.443 -6.195 10.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.312 -4.464 10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.313 -5.161 9.419 1.00 0.00 H new ATOM 820 N ALA A 50 171.569 -2.051 6.938 1.00 0.00 N ATOM 821 CA ALA A 50 172.517 -1.742 5.875 1.00 0.00 C ATOM 822 C ALA A 50 173.946 -2.038 6.315 1.00 0.00 C ATOM 823 O ALA A 50 174.634 -1.166 6.847 1.00 0.00 O ATOM 824 CB ALA A 50 172.382 -0.288 5.451 1.00 0.00 C ATOM 0 H ALA A 50 171.256 -1.241 7.474 1.00 0.00 H new ATOM 0 HA ALA A 50 172.288 -2.378 5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.097 -0.073 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.370 -0.107 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.582 0.360 6.304 1.00 0.00 H new ATOM 830 N ASP A 51 174.386 -3.273 6.095 1.00 0.00 N ATOM 831 CA ASP A 51 175.732 -3.684 6.473 1.00 0.00 C ATOM 832 C ASP A 51 176.647 -3.747 5.255 1.00 0.00 C ATOM 833 O ASP A 51 176.717 -4.768 4.571 1.00 0.00 O ATOM 834 CB ASP A 51 175.696 -5.047 7.166 1.00 0.00 C ATOM 835 CG ASP A 51 175.591 -4.927 8.674 1.00 0.00 C ATOM 836 OD1 ASP A 51 174.687 -4.209 9.152 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.414 -5.550 9.378 1.00 0.00 O ATOM 0 H ASP A 51 173.829 -4.006 5.657 1.00 0.00 H new ATOM 0 HA ASP A 51 176.129 -2.941 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.849 -5.620 6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.597 -5.605 6.911 1.00 0.00 H new ATOM 842 N ALA A 52 177.348 -2.652 4.989 1.00 0.00 N ATOM 843 CA ALA A 52 178.258 -2.587 3.855 1.00 0.00 C ATOM 844 C ALA A 52 179.703 -2.763 4.302 1.00 0.00 C ATOM 845 O ALA A 52 180.014 -2.668 5.490 1.00 0.00 O ATOM 846 CB ALA A 52 178.095 -1.266 3.122 1.00 0.00 C ATOM 0 H ALA A 52 177.303 -1.797 5.544 1.00 0.00 H new ATOM 0 HA ALA A 52 178.009 -3.403 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.782 -1.232 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.071 -1.174 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.315 -0.443 3.802 1.00 0.00 H new ATOM 852 N THR A 53 180.585 -3.016 3.342 1.00 0.00 N ATOM 853 CA THR A 53 182.000 -3.202 3.632 1.00 0.00 C ATOM 854 C THR A 53 182.839 -2.934 2.387 1.00 0.00 C ATOM 855 O THR A 53 182.955 -3.786 1.509 1.00 0.00 O ATOM 856 CB THR A 53 182.257 -4.622 4.145 1.00 0.00 C ATOM 857 OG1 THR A 53 181.140 -5.458 3.895 1.00 0.00 O ATOM 858 CG2 THR A 53 182.548 -4.678 5.629 1.00 0.00 C ATOM 0 H THR A 53 180.344 -3.097 2.354 1.00 0.00 H new ATOM 0 HA THR A 53 182.289 -2.492 4.407 1.00 0.00 H new ATOM 0 HB THR A 53 183.137 -4.968 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.326 -6.361 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.721 -5.712 5.927 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.435 -4.084 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 53 181.698 -4.278 6.182 1.00 0.00 H new ATOM 866 N ILE A 54 183.420 -1.741 2.317 1.00 0.00 N ATOM 867 CA ILE A 54 184.245 -1.364 1.177 1.00 0.00 C ATOM 868 C ILE A 54 185.718 -1.633 1.457 1.00 0.00 C ATOM 869 O ILE A 54 186.223 -1.314 2.532 1.00 0.00 O ATOM 870 CB ILE A 54 184.066 0.123 0.807 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.613 0.561 1.010 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.502 0.370 -0.630 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.379 2.031 0.738 1.00 0.00 C ATOM 0 H ILE A 54 183.335 -1.021 3.034 1.00 0.00 H new ATOM 0 HA ILE A 54 183.916 -1.975 0.337 1.00 0.00 H new ATOM 0 HB ILE A 54 184.697 0.718 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.970 -0.028 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.315 0.338 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.369 1.424 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.552 0.101 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.897 -0.238 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.328 2.269 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.995 2.628 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.645 2.257 -0.295 1.00 0.00 H new ATOM 885 N ASN A 55 186.401 -2.222 0.483 1.00 0.00 N ATOM 886 CA ASN A 55 187.816 -2.536 0.630 1.00 0.00 C ATOM 887 C ASN A 55 188.683 -1.332 0.272 1.00 0.00 C ATOM 888 O ASN A 55 189.222 -1.242 -0.833 1.00 0.00 O ATOM 889 CB ASN A 55 188.189 -3.737 -0.246 1.00 0.00 C ATOM 890 CG ASN A 55 188.841 -4.852 0.549 1.00 0.00 C ATOM 891 OD1 ASN A 55 188.561 -6.031 0.330 1.00 0.00 O ATOM 892 ND2 ASN A 55 189.716 -4.486 1.479 1.00 0.00 N ATOM 0 H ASN A 55 185.999 -2.491 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 55 188.000 -2.790 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.293 -4.119 -0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.868 -3.411 -1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.185 -5.193 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.919 -3.497 1.628 1.00 0.00 H new ATOM 899 N THR A 56 188.816 -0.413 1.224 1.00 0.00 N ATOM 900 CA THR A 56 189.624 0.785 1.027 1.00 0.00 C ATOM 901 C THR A 56 191.069 0.508 1.428 1.00 0.00 C ATOM 902 O THR A 56 191.318 -0.194 2.407 1.00 0.00 O ATOM 903 CB THR A 56 189.067 1.942 1.859 1.00 0.00 C ATOM 904 OG1 THR A 56 188.815 1.529 3.191 1.00 0.00 O ATOM 905 CG2 THR A 56 187.780 2.518 1.304 1.00 0.00 C ATOM 0 H THR A 56 188.374 -0.476 2.141 1.00 0.00 H new ATOM 0 HA THR A 56 189.591 1.061 -0.027 1.00 0.00 H new ATOM 0 HB THR A 56 189.835 2.715 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 56 189.278 2.129 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 56 187.441 3.334 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.955 2.895 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.017 1.740 1.273 1.00 0.00 H new ATOM 913 N PRO A 57 192.051 1.042 0.680 1.00 0.00 N ATOM 914 CA PRO A 57 193.467 0.823 0.982 1.00 0.00 C ATOM 915 C PRO A 57 193.798 1.083 2.449 1.00 0.00 C ATOM 916 O PRO A 57 194.789 0.569 2.971 1.00 0.00 O ATOM 917 CB PRO A 57 194.207 1.816 0.076 1.00 0.00 C ATOM 918 CG PRO A 57 193.153 2.674 -0.545 1.00 0.00 C ATOM 919 CD PRO A 57 191.875 1.884 -0.515 1.00 0.00 C ATOM 0 HA PRO A 57 193.754 -0.214 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 57 194.911 2.418 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.783 1.293 -0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.042 3.609 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.421 2.936 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.001 2.529 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.746 1.286 -1.417 1.00 0.00 H new ATOM 927 N ASN A 58 192.964 1.877 3.114 1.00 0.00 N ATOM 928 CA ASN A 58 193.172 2.196 4.522 1.00 0.00 C ATOM 929 C ASN A 58 192.356 1.267 5.418 1.00 0.00 C ATOM 930 O ASN A 58 191.917 1.659 6.499 1.00 0.00 O ATOM 931 CB ASN A 58 192.796 3.653 4.801 1.00 0.00 C ATOM 932 CG ASN A 58 191.472 4.044 4.173 1.00 0.00 C ATOM 933 OD1 ASN A 58 190.380 3.511 4.712 1.00 0.00 O flip ATOM 934 ND2 ASN A 58 191.429 4.817 3.216 1.00 0.00 N flip ATOM 0 H ASN A 58 192.139 2.311 2.701 1.00 0.00 H new ATOM 0 HA ASN A 58 194.229 2.053 4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 58 192.744 3.811 5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.581 4.306 4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 58 192.292 5.203 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 58 190.530 5.071 2.806 1.00 0.00 H new ATOM 941 N GLY A 59 192.154 0.032 4.964 1.00 0.00 N ATOM 942 CA GLY A 59 191.393 -0.931 5.740 1.00 0.00 C ATOM 943 C GLY A 59 190.125 -1.375 5.037 1.00 0.00 C ATOM 944 O GLY A 59 190.162 -1.807 3.885 1.00 0.00 O ATOM 0 H GLY A 59 192.504 -0.318 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.016 -1.802 5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.135 -0.493 6.704 1.00 0.00 H new ATOM 948 N VAL A 60 188.998 -1.270 5.734 1.00 0.00 N ATOM 949 CA VAL A 60 187.711 -1.664 5.171 1.00 0.00 C ATOM 950 C VAL A 60 186.593 -0.745 5.659 1.00 0.00 C ATOM 951 O VAL A 60 186.252 -0.744 6.841 1.00 0.00 O ATOM 952 CB VAL A 60 187.358 -3.119 5.537 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.104 -3.566 4.803 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.524 -4.045 5.228 1.00 0.00 C ATOM 0 H VAL A 60 188.950 -0.916 6.689 1.00 0.00 H new ATOM 0 HA VAL A 60 187.802 -1.581 4.088 1.00 0.00 H new ATOM 0 HB VAL A 60 187.160 -3.167 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.871 -4.596 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.271 -2.920 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.270 -3.503 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.256 -5.068 5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.757 -3.995 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.396 -3.737 5.805 1.00 0.00 H new ATOM 964 N LEU A 61 186.033 0.035 4.743 1.00 0.00 N ATOM 965 CA LEU A 61 184.955 0.960 5.083 1.00 0.00 C ATOM 966 C LEU A 61 183.641 0.215 5.297 1.00 0.00 C ATOM 967 O LEU A 61 182.975 -0.179 4.341 1.00 0.00 O ATOM 968 CB LEU A 61 184.782 2.005 3.969 1.00 0.00 C ATOM 969 CG LEU A 61 185.469 3.367 4.181 1.00 0.00 C ATOM 970 CD1 LEU A 61 184.500 4.497 3.871 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.019 3.518 5.594 1.00 0.00 C ATOM 0 H LEU A 61 186.306 0.047 3.760 1.00 0.00 H new ATOM 0 HA LEU A 61 185.223 1.462 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.157 1.576 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 61 183.715 2.181 3.831 1.00 0.00 H new ATOM 0 HG LEU A 61 186.315 3.416 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 184.997 5.455 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 184.172 4.421 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 183.636 4.427 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.494 4.493 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.204 3.434 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 61 186.753 2.735 5.784 1.00 0.00 H new ATOM 983 N VAL A 62 183.271 0.030 6.560 1.00 0.00 N ATOM 984 CA VAL A 62 182.037 -0.664 6.899 1.00 0.00 C ATOM 985 C VAL A 62 180.880 0.315 7.071 1.00 0.00 C ATOM 986 O VAL A 62 180.855 1.100 8.020 1.00 0.00 O ATOM 987 CB VAL A 62 182.191 -1.484 8.194 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.973 -2.365 8.413 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.463 -2.318 8.147 1.00 0.00 C ATOM 0 H VAL A 62 183.809 0.352 7.365 1.00 0.00 H new ATOM 0 HA VAL A 62 181.820 -1.338 6.070 1.00 0.00 H new ATOM 0 HB VAL A 62 182.267 -0.795 9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 62 181.098 -2.937 9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.083 -1.741 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.863 -3.049 7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.557 -2.891 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.419 -3.001 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.326 -1.660 8.039 1.00 0.00 H new ATOM 999 N ALA A 63 179.924 0.266 6.151 1.00 0.00 N ATOM 1000 CA ALA A 63 178.765 1.150 6.207 1.00 0.00 C ATOM 1001 C ALA A 63 177.605 0.490 6.942 1.00 0.00 C ATOM 1002 O ALA A 63 176.981 -0.442 6.432 1.00 0.00 O ATOM 1003 CB ALA A 63 178.341 1.561 4.805 1.00 0.00 C ATOM 0 H ALA A 63 179.928 -0.376 5.358 1.00 0.00 H new ATOM 0 HA ALA A 63 179.050 2.044 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 63 177.475 2.220 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.162 2.084 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.082 0.673 4.228 1.00 0.00 H new ATOM 1009 N SER A 64 177.321 0.981 8.144 1.00 0.00 N ATOM 1010 CA SER A 64 176.233 0.442 8.952 1.00 0.00 C ATOM 1011 C SER A 64 175.053 1.407 8.982 1.00 0.00 C ATOM 1012 O SER A 64 175.102 2.443 9.644 1.00 0.00 O ATOM 1013 CB SER A 64 176.717 0.164 10.375 1.00 0.00 C ATOM 1014 OG SER A 64 178.077 -0.235 10.384 1.00 0.00 O ATOM 0 H SER A 64 177.829 1.751 8.580 1.00 0.00 H new ATOM 0 HA SER A 64 175.904 -0.494 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.593 1.059 10.985 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.103 -0.616 10.825 1.00 0.00 H new ATOM 0 HG SER A 64 178.362 -0.405 11.306 1.00 0.00 H new ATOM 1020 N GLY A 65 173.993 1.058 8.262 1.00 0.00 N ATOM 1021 CA GLY A 65 172.814 1.901 8.218 1.00 0.00 C ATOM 1022 C GLY A 65 171.575 1.191 8.723 1.00 0.00 C ATOM 1023 O GLY A 65 171.131 0.207 8.131 1.00 0.00 O ATOM 0 H GLY A 65 173.930 0.205 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 65 172.987 2.794 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.647 2.233 7.193 1.00 0.00 H new ATOM 1027 N LYS A 66 171.013 1.688 9.821 1.00 0.00 N ATOM 1028 CA LYS A 66 169.818 1.091 10.403 1.00 0.00 C ATOM 1029 C LYS A 66 168.648 2.069 10.370 1.00 0.00 C ATOM 1030 O LYS A 66 168.737 3.174 10.903 1.00 0.00 O ATOM 1031 CB LYS A 66 170.091 0.650 11.843 1.00 0.00 C ATOM 1032 CG LYS A 66 170.690 1.744 12.713 1.00 0.00 C ATOM 1033 CD LYS A 66 172.196 1.843 12.528 1.00 0.00 C ATOM 1034 CE LYS A 66 172.646 3.288 12.388 1.00 0.00 C ATOM 1035 NZ LYS A 66 174.002 3.392 11.784 1.00 0.00 N ATOM 0 H LYS A 66 171.366 2.502 10.324 1.00 0.00 H new ATOM 0 HA LYS A 66 169.553 0.217 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.158 0.310 12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.768 -0.204 11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 66 170.229 2.700 12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.464 1.542 13.760 1.00 0.00 H new ATOM 0 HD2 LYS A 66 172.699 1.385 13.380 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.493 1.281 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 66 171.931 3.832 11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 66 172.648 3.764 13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 174.300 4.388 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 174.677 2.838 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 173.978 3.022 10.812 1.00 0.00 H new ATOM 1049 N HIS A 67 167.549 1.658 9.741 1.00 0.00 N ATOM 1050 CA HIS A 67 166.368 2.512 9.649 1.00 0.00 C ATOM 1051 C HIS A 67 165.225 1.809 8.921 1.00 0.00 C ATOM 1052 O HIS A 67 165.452 0.949 8.070 1.00 0.00 O ATOM 1053 CB HIS A 67 166.713 3.824 8.939 1.00 0.00 C ATOM 1054 CG HIS A 67 166.389 5.043 9.746 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.921 6.287 9.722 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 165.415 5.064 10.723 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 166.265 7.028 10.674 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 165.362 6.269 11.263 1.00 0.00 N flip ATOM 0 H HIS A 67 167.452 0.748 9.291 1.00 0.00 H new ATOM 0 HA HIS A 67 166.038 2.730 10.665 1.00 0.00 H new ATOM 0 HB2 HIS A 67 167.776 3.829 8.699 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.172 3.869 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 67 164.793 4.227 11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.458 8.066 10.903 1.00 0.00 H new ATOM 0 HE2 HIS A 67 164.730 6.562 12.008 1.00 0.00 H new ATOM 1067 N GLU A 68 163.996 2.188 9.263 1.00 0.00 N ATOM 1068 CA GLU A 68 162.812 1.602 8.647 1.00 0.00 C ATOM 1069 C GLU A 68 162.801 1.842 7.139 1.00 0.00 C ATOM 1070 O GLU A 68 162.524 0.930 6.359 1.00 0.00 O ATOM 1071 CB GLU A 68 161.544 2.183 9.278 1.00 0.00 C ATOM 1072 CG GLU A 68 160.902 1.265 10.306 1.00 0.00 C ATOM 1073 CD GLU A 68 160.471 -0.062 9.715 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.900 -0.058 8.604 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.704 -1.104 10.362 1.00 0.00 O ATOM 0 H GLU A 68 163.796 2.900 9.965 1.00 0.00 H new ATOM 0 HA GLU A 68 162.839 0.526 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.787 3.133 9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 68 160.821 2.396 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 68 161.607 1.085 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.036 1.763 10.741 1.00 0.00 H new ATOM 1082 N ASP A 69 163.107 3.071 6.736 1.00 0.00 N ATOM 1083 CA ASP A 69 163.132 3.421 5.321 1.00 0.00 C ATOM 1084 C ASP A 69 164.489 3.090 4.708 1.00 0.00 C ATOM 1085 O ASP A 69 165.514 3.121 5.391 1.00 0.00 O ATOM 1086 CB ASP A 69 162.811 4.905 5.131 1.00 0.00 C ATOM 1087 CG ASP A 69 161.423 5.129 4.567 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.198 4.787 3.387 1.00 0.00 O ATOM 1089 OD2 ASP A 69 160.558 5.645 5.307 1.00 0.00 O ATOM 0 H ASP A 69 163.340 3.838 7.367 1.00 0.00 H new ATOM 0 HA ASP A 69 162.370 2.832 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.898 5.418 6.089 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.548 5.350 4.463 1.00 0.00 H new ATOM 1094 N MET A 70 164.489 2.760 3.422 1.00 0.00 N ATOM 1095 CA MET A 70 165.719 2.408 2.727 1.00 0.00 C ATOM 1096 C MET A 70 166.626 3.622 2.535 1.00 0.00 C ATOM 1097 O MET A 70 167.803 3.576 2.882 1.00 0.00 O ATOM 1098 CB MET A 70 165.402 1.744 1.383 1.00 0.00 C ATOM 1099 CG MET A 70 164.890 2.696 0.314 1.00 0.00 C ATOM 1100 SD MET A 70 163.990 1.845 -0.996 1.00 0.00 S ATOM 1101 CE MET A 70 162.299 2.188 -0.516 1.00 0.00 C ATOM 0 H MET A 70 163.651 2.729 2.841 1.00 0.00 H new ATOM 0 HA MET A 70 166.260 1.695 3.348 1.00 0.00 H new ATOM 0 HB2 MET A 70 166.302 1.253 1.013 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.657 0.964 1.544 1.00 0.00 H new ATOM 0 HG2 MET A 70 164.238 3.438 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.731 3.236 -0.120 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.617 1.727 -1.231 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.113 1.781 0.478 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.136 3.266 -0.503 1.00 0.00 H new ATOM 1111 N TYR A 71 166.080 4.703 1.990 1.00 0.00 N ATOM 1112 CA TYR A 71 166.863 5.914 1.766 1.00 0.00 C ATOM 1113 C TYR A 71 167.385 6.472 3.079 1.00 0.00 C ATOM 1114 O TYR A 71 168.468 7.055 3.129 1.00 0.00 O ATOM 1115 CB TYR A 71 166.029 6.965 1.028 1.00 0.00 C ATOM 1116 CG TYR A 71 166.028 6.802 -0.482 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.741 5.778 -1.101 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.313 7.677 -1.288 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.737 5.632 -2.473 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.304 7.537 -2.664 1.00 0.00 C ATOM 1121 CZ TYR A 71 166.018 6.513 -3.250 1.00 0.00 C ATOM 1122 OH TYR A 71 166.016 6.372 -4.620 1.00 0.00 O ATOM 0 H TYR A 71 165.105 4.767 1.697 1.00 0.00 H new ATOM 0 HA TYR A 71 167.719 5.654 1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 71 165.002 6.918 1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.409 7.956 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.307 5.086 -0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.754 8.481 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 71 167.295 4.831 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.741 8.226 -3.276 1.00 0.00 H new ATOM 0 HH TYR A 71 166.542 5.583 -4.868 1.00 0.00 H new ATOM 1132 N THR A 72 166.627 6.275 4.149 1.00 0.00 N ATOM 1133 CA THR A 72 167.044 6.749 5.462 1.00 0.00 C ATOM 1134 C THR A 72 168.198 5.896 5.975 1.00 0.00 C ATOM 1135 O THR A 72 169.073 6.380 6.695 1.00 0.00 O ATOM 1136 CB THR A 72 165.877 6.711 6.448 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.642 6.740 5.760 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.880 7.866 7.424 1.00 0.00 C ATOM 0 H THR A 72 165.727 5.794 4.135 1.00 0.00 H new ATOM 0 HA THR A 72 167.377 7.783 5.370 1.00 0.00 H new ATOM 0 HB THR A 72 166.001 5.783 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.012 7.314 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.025 7.778 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 72 166.801 7.848 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 72 165.815 8.806 6.876 1.00 0.00 H new ATOM 1146 N ALA A 73 168.196 4.624 5.586 1.00 0.00 N ATOM 1147 CA ALA A 73 169.243 3.697 5.991 1.00 0.00 C ATOM 1148 C ALA A 73 170.558 4.020 5.289 1.00 0.00 C ATOM 1149 O ALA A 73 171.638 3.781 5.832 1.00 0.00 O ATOM 1150 CB ALA A 73 168.822 2.264 5.696 1.00 0.00 C ATOM 0 H ALA A 73 167.478 4.213 4.989 1.00 0.00 H new ATOM 0 HA ALA A 73 169.397 3.804 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.614 1.581 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.910 2.032 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.640 2.151 4.627 1.00 0.00 H new ATOM 1156 N ILE A 74 170.465 4.566 4.079 1.00 0.00 N ATOM 1157 CA ILE A 74 171.658 4.924 3.313 1.00 0.00 C ATOM 1158 C ILE A 74 172.293 6.190 3.875 1.00 0.00 C ATOM 1159 O ILE A 74 173.516 6.317 3.920 1.00 0.00 O ATOM 1160 CB ILE A 74 171.377 5.144 1.801 1.00 0.00 C ATOM 1161 CG1 ILE A 74 170.024 4.560 1.369 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.500 4.545 0.968 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.962 3.045 1.393 1.00 0.00 C ATOM 0 H ILE A 74 169.583 4.770 3.609 1.00 0.00 H new ATOM 0 HA ILE A 74 172.335 4.075 3.407 1.00 0.00 H new ATOM 0 HB ILE A 74 171.332 6.220 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.246 4.954 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.798 4.905 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.293 4.705 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.443 5.025 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.570 3.476 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.973 2.716 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.715 2.639 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 74 170.154 2.689 2.405 1.00 0.00 H new ATOM 1175 N ASN A 75 171.452 7.125 4.308 1.00 0.00 N ATOM 1176 CA ASN A 75 171.934 8.381 4.873 1.00 0.00 C ATOM 1177 C ASN A 75 172.634 8.129 6.205 1.00 0.00 C ATOM 1178 O ASN A 75 173.603 8.807 6.554 1.00 0.00 O ATOM 1179 CB ASN A 75 170.778 9.371 5.070 1.00 0.00 C ATOM 1180 CG ASN A 75 169.738 9.313 3.960 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.161 8.948 2.753 1.00 0.00 O flip ATOM 1182 ND2 ASN A 75 168.562 9.596 4.189 1.00 0.00 N flip ATOM 0 H ASN A 75 170.436 7.037 4.279 1.00 0.00 H new ATOM 0 HA ASN A 75 172.647 8.816 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.292 9.166 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.181 10.382 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.277 9.871 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 75 167.872 9.555 3.439 1.00 0.00 H new ATOM 1189 N GLU A 76 172.135 7.144 6.945 1.00 0.00 N ATOM 1190 CA GLU A 76 172.707 6.794 8.237 1.00 0.00 C ATOM 1191 C GLU A 76 174.059 6.104 8.073 1.00 0.00 C ATOM 1192 O GLU A 76 174.989 6.348 8.845 1.00 0.00 O ATOM 1193 CB GLU A 76 171.750 5.885 9.009 1.00 0.00 C ATOM 1194 CG GLU A 76 171.833 6.056 10.516 1.00 0.00 C ATOM 1195 CD GLU A 76 171.614 7.492 10.952 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.677 8.133 10.432 1.00 0.00 O ATOM 1197 OE2 GLU A 76 172.381 7.975 11.810 1.00 0.00 O ATOM 0 H GLU A 76 171.335 6.574 6.670 1.00 0.00 H new ATOM 0 HA GLU A 76 172.859 7.716 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.729 6.087 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 76 171.965 4.847 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 76 171.089 5.418 10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 76 172.810 5.720 10.863 1.00 0.00 H new ATOM 1204 N LEU A 77 174.165 5.237 7.069 1.00 0.00 N ATOM 1205 CA LEU A 77 175.404 4.506 6.822 1.00 0.00 C ATOM 1206 C LEU A 77 176.458 5.391 6.159 1.00 0.00 C ATOM 1207 O LEU A 77 177.653 5.227 6.405 1.00 0.00 O ATOM 1208 CB LEU A 77 175.143 3.268 5.960 1.00 0.00 C ATOM 1209 CG LEU A 77 174.519 3.543 4.593 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.559 4.085 3.623 1.00 0.00 C ATOM 1211 CD2 LEU A 77 173.877 2.278 4.041 1.00 0.00 C ATOM 0 H LEU A 77 173.411 5.024 6.416 1.00 0.00 H new ATOM 0 HA LEU A 77 175.789 4.188 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 176.087 2.744 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.487 2.594 6.511 1.00 0.00 H new ATOM 0 HG LEU A 77 173.744 4.300 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 77 175.092 4.273 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.971 5.015 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 77 176.360 3.355 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 77 173.436 2.489 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.635 1.501 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 77 173.100 1.937 4.724 1.00 0.00 H new ATOM 1223 N ILE A 78 176.019 6.321 5.316 1.00 0.00 N ATOM 1224 CA ILE A 78 176.949 7.211 4.628 1.00 0.00 C ATOM 1225 C ILE A 78 177.639 8.154 5.609 1.00 0.00 C ATOM 1226 O ILE A 78 178.844 8.386 5.509 1.00 0.00 O ATOM 1227 CB ILE A 78 176.248 8.028 3.518 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.281 8.733 2.631 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.266 9.028 4.112 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.947 9.931 3.281 1.00 0.00 C ATOM 0 H ILE A 78 175.036 6.477 5.094 1.00 0.00 H new ATOM 0 HA ILE A 78 177.702 6.577 4.160 1.00 0.00 H new ATOM 0 HB ILE A 78 175.681 7.336 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 78 178.050 8.014 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.793 9.057 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 78 174.787 9.589 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.507 8.496 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 78 175.799 9.716 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.663 10.371 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.191 10.672 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.467 9.612 4.184 1.00 0.00 H new ATOM 1242 N ASN A 79 176.879 8.694 6.558 1.00 0.00 N ATOM 1243 CA ASN A 79 177.445 9.606 7.546 1.00 0.00 C ATOM 1244 C ASN A 79 178.393 8.862 8.483 1.00 0.00 C ATOM 1245 O ASN A 79 179.500 9.326 8.766 1.00 0.00 O ATOM 1246 CB ASN A 79 176.331 10.306 8.338 1.00 0.00 C ATOM 1247 CG ASN A 79 175.807 9.476 9.498 1.00 0.00 C ATOM 1248 OD1 ASN A 79 176.526 9.211 10.461 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.549 9.066 9.410 1.00 0.00 N ATOM 0 H ASN A 79 175.880 8.518 6.663 1.00 0.00 H new ATOM 0 HA ASN A 79 178.018 10.370 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.707 11.255 8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.506 10.538 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 79 174.141 8.507 10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.989 9.309 8.593 1.00 0.00 H new ATOM 1256 N LYS A 80 177.954 7.698 8.958 1.00 0.00 N ATOM 1257 CA LYS A 80 178.764 6.886 9.859 1.00 0.00 C ATOM 1258 C LYS A 80 180.123 6.583 9.238 1.00 0.00 C ATOM 1259 O LYS A 80 181.165 6.806 9.857 1.00 0.00 O ATOM 1260 CB LYS A 80 178.038 5.579 10.192 1.00 0.00 C ATOM 1261 CG LYS A 80 178.203 5.143 11.639 1.00 0.00 C ATOM 1262 CD LYS A 80 179.154 3.959 11.765 1.00 0.00 C ATOM 1263 CE LYS A 80 178.551 2.844 12.603 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.910 3.363 13.843 1.00 0.00 N ATOM 0 H LYS A 80 177.043 7.298 8.733 1.00 0.00 H new ATOM 0 HA LYS A 80 178.921 7.450 10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.976 5.698 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.410 4.790 9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.580 5.978 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.230 4.874 12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.396 3.579 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 80 180.089 4.289 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.812 2.305 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 80 179.329 2.129 12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 178.029 2.672 14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 178.357 4.262 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.896 3.518 13.671 1.00 0.00 H new ATOM 1278 N LEU A 81 180.107 6.077 8.009 1.00 0.00 N ATOM 1279 CA LEU A 81 181.337 5.749 7.302 1.00 0.00 C ATOM 1280 C LEU A 81 182.151 7.005 7.019 1.00 0.00 C ATOM 1281 O LEU A 81 183.381 6.967 6.995 1.00 0.00 O ATOM 1282 CB LEU A 81 181.023 5.017 5.996 1.00 0.00 C ATOM 1283 CG LEU A 81 181.285 3.511 6.021 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.048 2.905 4.645 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.701 3.222 6.504 1.00 0.00 C ATOM 0 H LEU A 81 179.254 5.886 7.483 1.00 0.00 H new ATOM 0 HA LEU A 81 181.930 5.092 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.975 5.184 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.616 5.461 5.196 1.00 0.00 H new ATOM 0 HG LEU A 81 180.587 3.051 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.239 1.833 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.015 3.079 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.720 3.369 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 81 182.869 2.145 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.418 3.694 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.830 3.620 7.511 1.00 0.00 H new ATOM 1297 N GLU A 82 181.458 8.121 6.809 1.00 0.00 N ATOM 1298 CA GLU A 82 182.123 9.391 6.533 1.00 0.00 C ATOM 1299 C GLU A 82 183.167 9.685 7.606 1.00 0.00 C ATOM 1300 O GLU A 82 184.325 9.972 7.300 1.00 0.00 O ATOM 1301 CB GLU A 82 181.099 10.526 6.467 1.00 0.00 C ATOM 1302 CG GLU A 82 181.207 11.369 5.207 1.00 0.00 C ATOM 1303 CD GLU A 82 180.113 12.414 5.105 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.432 12.662 6.124 1.00 0.00 O ATOM 1305 OE2 GLU A 82 179.936 12.984 4.008 1.00 0.00 O ATOM 0 H GLU A 82 180.439 8.172 6.825 1.00 0.00 H new ATOM 0 HA GLU A 82 182.624 9.318 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.096 10.103 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.226 11.170 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.178 11.863 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.164 10.717 4.334 1.00 0.00 H new ATOM 1312 N ARG A 83 182.749 9.601 8.865 1.00 0.00 N ATOM 1313 CA ARG A 83 183.650 9.847 9.983 1.00 0.00 C ATOM 1314 C ARG A 83 184.682 8.729 10.095 1.00 0.00 C ATOM 1315 O ARG A 83 185.819 8.957 10.509 1.00 0.00 O ATOM 1316 CB ARG A 83 182.864 9.958 11.291 1.00 0.00 C ATOM 1317 CG ARG A 83 181.577 10.758 11.170 1.00 0.00 C ATOM 1318 CD ARG A 83 180.950 11.013 12.533 1.00 0.00 C ATOM 1319 NE ARG A 83 180.966 9.817 13.374 1.00 0.00 N ATOM 1320 CZ ARG A 83 180.877 9.842 14.702 1.00 0.00 C ATOM 1321 NH1 ARG A 83 180.760 10.997 15.346 1.00 0.00 N ATOM 1322 NH2 ARG A 83 180.905 8.708 15.389 1.00 0.00 N ATOM 0 H ARG A 83 181.794 9.365 9.135 1.00 0.00 H new ATOM 0 HA ARG A 83 184.168 10.789 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.625 8.956 11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 83 183.499 10.421 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.783 11.709 10.679 1.00 0.00 H new ATOM 0 HG3 ARG A 83 180.871 10.220 10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 83 181.488 11.817 13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 83 179.922 11.351 12.402 1.00 0.00 H new ATOM 0 HE ARG A 83 181.050 8.910 12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 83 180.738 11.872 14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 83 180.692 11.009 16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 83 180.995 7.817 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 83 180.837 8.726 16.407 1.00 0.00 H new ATOM 1336 N GLN A 84 184.275 7.518 9.724 1.00 0.00 N ATOM 1337 CA GLN A 84 185.160 6.360 9.783 1.00 0.00 C ATOM 1338 C GLN A 84 186.432 6.595 8.974 1.00 0.00 C ATOM 1339 O GLN A 84 187.536 6.561 9.514 1.00 0.00 O ATOM 1340 CB GLN A 84 184.437 5.114 9.268 1.00 0.00 C ATOM 1341 CG GLN A 84 184.888 3.827 9.940 1.00 0.00 C ATOM 1342 CD GLN A 84 183.725 2.987 10.435 1.00 0.00 C ATOM 1343 OE1 GLN A 84 183.064 3.337 11.412 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.470 1.873 9.759 1.00 0.00 N ATOM 0 H GLN A 84 183.337 7.314 9.379 1.00 0.00 H new ATOM 0 HA GLN A 84 185.442 6.207 10.825 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.365 5.237 9.421 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.598 5.029 8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.480 3.242 9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.539 4.069 10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 84 184.045 1.622 8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 84 182.700 1.268 10.044 1.00 0.00 H new ATOM 1353 N LEU A 85 186.273 6.828 7.675 1.00 0.00 N ATOM 1354 CA LEU A 85 187.415 7.065 6.800 1.00 0.00 C ATOM 1355 C LEU A 85 188.206 8.288 7.255 1.00 0.00 C ATOM 1356 O LEU A 85 189.436 8.278 7.254 1.00 0.00 O ATOM 1357 CB LEU A 85 186.954 7.254 5.354 1.00 0.00 C ATOM 1358 CG LEU A 85 187.998 6.899 4.291 1.00 0.00 C ATOM 1359 CD1 LEU A 85 187.496 5.776 3.395 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.355 8.122 3.459 1.00 0.00 C ATOM 0 H LEU A 85 185.367 6.858 7.207 1.00 0.00 H new ATOM 0 HA LEU A 85 188.064 6.191 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 85 186.067 6.643 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.656 8.293 5.216 1.00 0.00 H new ATOM 0 HG LEU A 85 188.897 6.555 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 85 188.254 5.541 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 85 187.295 4.891 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 85 186.580 6.091 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 85 189.098 7.848 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.460 8.498 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.763 8.897 4.108 1.00 0.00 H new ATOM 1372 N ASN A 86 187.491 9.340 7.641 1.00 0.00 N ATOM 1373 CA ASN A 86 188.126 10.572 8.095 1.00 0.00 C ATOM 1374 C ASN A 86 189.111 10.302 9.230 1.00 0.00 C ATOM 1375 O ASN A 86 190.310 10.540 9.093 1.00 0.00 O ATOM 1376 CB ASN A 86 187.065 11.574 8.559 1.00 0.00 C ATOM 1377 CG ASN A 86 186.380 12.269 7.399 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.022 12.644 6.418 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.068 12.446 7.506 1.00 0.00 N ATOM 0 H ASN A 86 186.471 9.364 7.648 1.00 0.00 H new ATOM 0 HA ASN A 86 188.678 10.992 7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.318 11.056 9.161 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.531 12.320 9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.553 12.909 6.757 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.575 12.119 8.337 1.00 0.00 H new ATOM 1386 N LYS A 87 188.595 9.811 10.353 1.00 0.00 N ATOM 1387 CA LYS A 87 189.428 9.518 11.513 1.00 0.00 C ATOM 1388 C LYS A 87 190.465 8.444 11.195 1.00 0.00 C ATOM 1389 O LYS A 87 191.580 8.472 11.717 1.00 0.00 O ATOM 1390 CB LYS A 87 188.560 9.073 12.694 1.00 0.00 C ATOM 1391 CG LYS A 87 187.841 7.754 12.459 1.00 0.00 C ATOM 1392 CD LYS A 87 188.666 6.575 12.952 1.00 0.00 C ATOM 1393 CE LYS A 87 187.834 5.306 13.027 1.00 0.00 C ATOM 1394 NZ LYS A 87 186.812 5.373 14.109 1.00 0.00 N ATOM 0 H LYS A 87 187.604 9.608 10.483 1.00 0.00 H new ATOM 0 HA LYS A 87 189.957 10.432 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.187 8.982 13.581 1.00 0.00 H new ATOM 0 HB3 LYS A 87 187.822 9.847 12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 87 186.879 7.766 12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 87 187.634 7.635 11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 87 189.513 6.417 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 87 189.075 6.802 13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 87 187.339 5.140 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.489 4.452 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 186.468 4.415 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 187.238 5.785 14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 186.016 5.966 13.798 1.00 0.00 H new ATOM 1408 N LEU A 88 190.095 7.497 10.338 1.00 0.00 N ATOM 1409 CA LEU A 88 191.001 6.418 9.960 1.00 0.00 C ATOM 1410 C LEU A 88 192.161 6.950 9.127 1.00 0.00 C ATOM 1411 O LEU A 88 193.326 6.663 9.411 1.00 0.00 O ATOM 1412 CB LEU A 88 190.251 5.336 9.180 1.00 0.00 C ATOM 1413 CG LEU A 88 190.935 3.967 9.156 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.031 2.931 8.506 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.265 4.051 8.424 1.00 0.00 C ATOM 0 H LEU A 88 189.178 7.455 9.894 1.00 0.00 H new ATOM 0 HA LEU A 88 191.402 5.980 10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.256 5.221 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.116 5.676 8.153 1.00 0.00 H new ATOM 0 HG LEU A 88 191.127 3.658 10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.533 1.964 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.102 2.853 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.808 3.233 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.739 3.069 8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.096 4.381 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.915 4.763 8.932 1.00 0.00 H new