USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=21 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 169:sc= 0.329 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.528 K(o=-0.2,f=-6.5!) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.156 K(o=-1.4,f=-2.6) USER MOD Set 2.2: A 6 THR OG1 : rot 156:sc= 0.0842 USER MOD Set 2.3: A 38 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.6) USER MOD Set 3.1: A 2 THR OG1 : rot -77:sc= 0.409 USER MOD Set 3.2: A 36 ASN : amide:sc= -0.127 K(o=0.28,f=-0.56) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.333 (180deg=-0.354) USER MOD Single : A 3 MET CE :methyl -178:sc= -1.73 (180deg=-1.78) USER MOD Single : A 7 SER OG : rot -121:sc= 0.998 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0478 F(o=-0.59,f=-0.048) USER MOD Single : A 10 MET CE :methyl -149:sc= -1.03 (180deg=-3.63!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.998 USER MOD Single : A 18 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.63) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.95 F(o=-3,f=-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= -0.0778 X(o=-0.078,f=-0.35) USER MOD Single : A 32 THR OG1 : rot 73:sc= 0.37 USER MOD Single : A 33 HIS : no HE2:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Single : A 42 SER OG : rot 110:sc= -0.905 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.655 X(o=-0.65,f=-0.41) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -5.38! C(o=-5.4!,f=-6.9!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.124 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -4.25 X(o=-4.2,f=-3.9!) USER MOD Single : A 70 MET CE :methyl 177:sc= -1.13 (180deg=-1.15) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 72 THR OG1 : rot 15:sc= -1.18 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.126 F(o=-0.94,f=-0.13) USER MOD Single : A 79 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.6!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -5.58 K(o=-5.6,f=-6.2!) USER MOD Single : A 86 ASN : amide:sc= -3.66 K(o=-3.7,f=-4.6!) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0957 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.816 -1.402 -6.375 1.00 0.00 N ATOM 2 CA MET A 1 186.162 -1.594 -7.808 1.00 0.00 C ATOM 3 C MET A 1 185.561 -2.882 -8.362 1.00 0.00 C ATOM 4 O MET A 1 185.406 -3.033 -9.575 1.00 0.00 O ATOM 5 CB MET A 1 187.686 -1.627 -7.939 1.00 0.00 C ATOM 6 CG MET A 1 188.177 -1.510 -9.373 1.00 0.00 C ATOM 7 SD MET A 1 187.645 0.017 -10.167 1.00 0.00 S ATOM 8 CE MET A 1 187.851 -0.411 -11.895 1.00 0.00 C ATOM 0 H1 MET A 1 186.269 -0.535 -6.022 1.00 0.00 H new ATOM 0 H2 MET A 1 184.784 -1.319 -6.275 1.00 0.00 H new ATOM 0 H3 MET A 1 186.153 -2.217 -5.824 1.00 0.00 H new ATOM 0 HA MET A 1 185.748 -0.768 -8.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 188.110 -0.813 -7.351 1.00 0.00 H new ATOM 0 HB3 MET A 1 188.059 -2.558 -7.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 189.266 -1.561 -9.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.812 -2.360 -9.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 187.561 0.436 -12.517 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.895 -0.661 -12.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 187.223 -1.269 -12.135 1.00 0.00 H new ATOM 20 N THR A 2 185.227 -3.812 -7.471 1.00 0.00 N ATOM 21 CA THR A 2 184.648 -5.089 -7.880 1.00 0.00 C ATOM 22 C THR A 2 183.126 -5.073 -7.758 1.00 0.00 C ATOM 23 O THR A 2 182.437 -5.854 -8.415 1.00 0.00 O ATOM 24 CB THR A 2 185.224 -6.226 -7.035 1.00 0.00 C ATOM 25 OG1 THR A 2 185.109 -5.933 -5.653 1.00 0.00 O ATOM 26 CG2 THR A 2 186.683 -6.506 -7.325 1.00 0.00 C ATOM 0 H THR A 2 185.347 -3.706 -6.464 1.00 0.00 H new ATOM 0 HA THR A 2 184.905 -5.251 -8.927 1.00 0.00 H new ATOM 0 HB THR A 2 184.641 -7.108 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.802 -5.290 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 2 187.029 -7.323 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 2 186.799 -6.784 -8.373 1.00 0.00 H new ATOM 0 HG23 THR A 2 187.273 -5.613 -7.119 1.00 0.00 H new ATOM 34 N MET A 3 182.605 -4.185 -6.916 1.00 0.00 N ATOM 35 CA MET A 3 181.164 -4.078 -6.713 1.00 0.00 C ATOM 36 C MET A 3 180.598 -5.378 -6.151 1.00 0.00 C ATOM 37 O MET A 3 180.073 -6.210 -6.890 1.00 0.00 O ATOM 38 CB MET A 3 180.465 -3.722 -8.031 1.00 0.00 C ATOM 39 CG MET A 3 178.944 -3.789 -7.966 1.00 0.00 C ATOM 40 SD MET A 3 178.263 -2.941 -6.525 1.00 0.00 S ATOM 41 CE MET A 3 178.155 -1.261 -7.133 1.00 0.00 C ATOM 0 H MET A 3 183.159 -3.530 -6.364 1.00 0.00 H new ATOM 0 HA MET A 3 180.980 -3.283 -5.991 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.761 -2.716 -8.327 1.00 0.00 H new ATOM 0 HB3 MET A 3 180.815 -4.399 -8.810 1.00 0.00 H new ATOM 0 HG2 MET A 3 178.527 -3.348 -8.871 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.632 -4.833 -7.948 1.00 0.00 H new ATOM 0 HE1 MET A 3 177.784 -0.611 -6.341 1.00 0.00 H new ATOM 0 HE2 MET A 3 179.143 -0.923 -7.447 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.473 -1.225 -7.982 1.00 0.00 H new ATOM 51 N ASN A 4 180.709 -5.545 -4.836 1.00 0.00 N ATOM 52 CA ASN A 4 180.207 -6.744 -4.174 1.00 0.00 C ATOM 53 C ASN A 4 178.890 -6.459 -3.459 1.00 0.00 C ATOM 54 O ASN A 4 178.785 -5.506 -2.686 1.00 0.00 O ATOM 55 CB ASN A 4 181.243 -7.268 -3.177 1.00 0.00 C ATOM 56 CG ASN A 4 181.996 -8.474 -3.705 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.213 -9.450 -2.986 1.00 0.00 O ATOM 58 ND2 ASN A 4 182.400 -8.412 -4.968 1.00 0.00 N ATOM 0 H ASN A 4 181.141 -4.866 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 4 180.027 -7.504 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.952 -6.474 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.744 -7.534 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.912 -9.193 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.198 -7.584 -5.528 1.00 0.00 H new ATOM 65 N ILE A 5 177.889 -7.292 -3.720 1.00 0.00 N ATOM 66 CA ILE A 5 176.577 -7.130 -3.103 1.00 0.00 C ATOM 67 C ILE A 5 176.026 -8.474 -2.636 1.00 0.00 C ATOM 68 O ILE A 5 176.057 -9.457 -3.375 1.00 0.00 O ATOM 69 CB ILE A 5 175.563 -6.485 -4.073 1.00 0.00 C ATOM 70 CG1 ILE A 5 176.261 -5.490 -5.006 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.453 -5.796 -3.295 1.00 0.00 C ATOM 72 CD1 ILE A 5 175.356 -4.934 -6.084 1.00 0.00 C ATOM 0 H ILE A 5 177.961 -8.087 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 5 176.713 -6.470 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 5 175.123 -7.273 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.656 -4.665 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 5 177.113 -5.981 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.746 -5.346 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.935 -6.528 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.881 -5.020 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.917 -4.237 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.981 -5.751 -6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.517 -4.413 -5.622 1.00 0.00 H new ATOM 84 N THR A 6 175.524 -8.512 -1.407 1.00 0.00 N ATOM 85 CA THR A 6 174.970 -9.740 -0.850 1.00 0.00 C ATOM 86 C THR A 6 173.892 -9.435 0.184 1.00 0.00 C ATOM 87 O THR A 6 174.171 -9.348 1.380 1.00 0.00 O ATOM 88 CB THR A 6 176.078 -10.588 -0.218 1.00 0.00 C ATOM 89 OG1 THR A 6 177.356 -10.085 -0.567 1.00 0.00 O ATOM 90 CG2 THR A 6 176.028 -12.041 -0.638 1.00 0.00 C ATOM 0 H THR A 6 175.489 -7.709 -0.779 1.00 0.00 H new ATOM 0 HA THR A 6 174.514 -10.302 -1.665 1.00 0.00 H new ATOM 0 HB THR A 6 175.911 -10.529 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 6 178.011 -10.357 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.839 -12.587 -0.156 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.072 -12.473 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.137 -12.111 -1.720 1.00 0.00 H new ATOM 98 N SER A 7 172.658 -9.277 -0.283 1.00 0.00 N ATOM 99 CA SER A 7 171.538 -8.985 0.605 1.00 0.00 C ATOM 100 C SER A 7 170.872 -10.277 1.072 1.00 0.00 C ATOM 101 O SER A 7 170.856 -11.274 0.350 1.00 0.00 O ATOM 102 CB SER A 7 170.521 -8.086 -0.103 1.00 0.00 C ATOM 103 OG SER A 7 170.983 -6.747 -0.164 1.00 0.00 O ATOM 0 H SER A 7 172.408 -9.346 -1.270 1.00 0.00 H new ATOM 0 HA SER A 7 171.919 -8.460 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.341 -8.459 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.568 -8.122 0.425 1.00 0.00 H new ATOM 0 HG SER A 7 170.339 -6.158 0.283 1.00 0.00 H new ATOM 109 N LYS A 8 170.335 -10.257 2.290 1.00 0.00 N ATOM 110 CA LYS A 8 169.682 -11.433 2.857 1.00 0.00 C ATOM 111 C LYS A 8 168.273 -11.620 2.288 1.00 0.00 C ATOM 112 O LYS A 8 168.086 -12.339 1.306 1.00 0.00 O ATOM 113 CB LYS A 8 169.623 -11.322 4.383 1.00 0.00 C ATOM 114 CG LYS A 8 170.971 -11.497 5.061 1.00 0.00 C ATOM 115 CD LYS A 8 170.818 -11.703 6.560 1.00 0.00 C ATOM 116 CE LYS A 8 170.170 -10.499 7.223 1.00 0.00 C ATOM 117 NZ LYS A 8 170.309 -10.535 8.707 1.00 0.00 N ATOM 0 H LYS A 8 170.339 -9.441 2.902 1.00 0.00 H new ATOM 0 HA LYS A 8 170.273 -12.307 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.215 -10.348 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.933 -12.074 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 8 171.490 -12.351 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 8 171.590 -10.619 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 8 170.215 -12.591 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 8 171.796 -11.883 7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 8 170.624 -9.586 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 8 169.113 -10.465 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 169.853 -9.696 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 169.853 -11.393 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 171.317 -10.541 8.961 1.00 0.00 H new ATOM 131 N GLN A 9 167.287 -10.979 2.911 1.00 0.00 N ATOM 132 CA GLN A 9 165.901 -11.088 2.462 1.00 0.00 C ATOM 133 C GLN A 9 165.398 -9.750 1.935 1.00 0.00 C ATOM 134 O GLN A 9 164.394 -9.218 2.409 1.00 0.00 O ATOM 135 CB GLN A 9 164.991 -11.574 3.599 1.00 0.00 C ATOM 136 CG GLN A 9 165.713 -12.345 4.696 1.00 0.00 C ATOM 137 CD GLN A 9 165.863 -11.539 5.974 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.080 -10.234 5.836 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 165.777 -12.083 7.074 1.00 0.00 N flip ATOM 0 H GLN A 9 167.421 -10.380 3.726 1.00 0.00 H new ATOM 0 HA GLN A 9 165.871 -11.820 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.494 -10.712 4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.211 -12.209 3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.165 -13.262 4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 9 166.700 -12.640 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.610 -13.087 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.873 -11.530 7.925 1.00 0.00 H new ATOM 148 N MET A 10 166.101 -9.208 0.948 1.00 0.00 N ATOM 149 CA MET A 10 165.724 -7.931 0.357 1.00 0.00 C ATOM 150 C MET A 10 166.666 -7.563 -0.785 1.00 0.00 C ATOM 151 O MET A 10 167.728 -6.979 -0.564 1.00 0.00 O ATOM 152 CB MET A 10 165.727 -6.829 1.425 1.00 0.00 C ATOM 153 CG MET A 10 165.517 -5.428 0.868 1.00 0.00 C ATOM 154 SD MET A 10 164.081 -5.315 -0.218 1.00 0.00 S ATOM 155 CE MET A 10 162.944 -4.404 0.821 1.00 0.00 C ATOM 0 H MET A 10 166.934 -9.633 0.541 1.00 0.00 H new ATOM 0 HA MET A 10 164.716 -8.026 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.944 -7.041 2.153 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.676 -6.858 1.960 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.398 -4.728 1.695 1.00 0.00 H new ATOM 0 HG3 MET A 10 166.407 -5.123 0.318 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.921 -4.704 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.158 -4.617 1.868 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.059 -3.336 0.637 1.00 0.00 H new ATOM 165 N GLU A 11 166.269 -7.906 -2.008 1.00 0.00 N ATOM 166 CA GLU A 11 167.075 -7.610 -3.185 1.00 0.00 C ATOM 167 C GLU A 11 167.354 -6.114 -3.290 1.00 0.00 C ATOM 168 O GLU A 11 167.089 -5.357 -2.356 1.00 0.00 O ATOM 169 CB GLU A 11 166.370 -8.103 -4.451 1.00 0.00 C ATOM 170 CG GLU A 11 167.241 -8.995 -5.320 1.00 0.00 C ATOM 171 CD GLU A 11 166.481 -10.173 -5.895 1.00 0.00 C ATOM 172 OE1 GLU A 11 166.221 -11.137 -5.144 1.00 0.00 O ATOM 173 OE2 GLU A 11 166.143 -10.132 -7.097 1.00 0.00 O ATOM 0 H GLU A 11 165.393 -8.389 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 11 168.027 -8.132 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 11 165.471 -8.651 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.047 -7.242 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 11 167.659 -8.405 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 11 168.080 -9.363 -4.730 1.00 0.00 H new ATOM 180 N ILE A 12 167.890 -5.695 -4.429 1.00 0.00 N ATOM 181 CA ILE A 12 168.206 -4.290 -4.650 1.00 0.00 C ATOM 182 C ILE A 12 167.139 -3.618 -5.508 1.00 0.00 C ATOM 183 O ILE A 12 167.162 -3.713 -6.736 1.00 0.00 O ATOM 184 CB ILE A 12 169.583 -4.113 -5.325 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.546 -5.230 -4.899 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.163 -2.751 -4.981 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.598 -5.457 -3.403 1.00 0.00 C ATOM 0 H ILE A 12 168.115 -6.307 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 12 168.234 -3.817 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 12 169.449 -4.175 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.249 -6.158 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.547 -4.988 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.134 -2.637 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.490 -1.969 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.282 -2.668 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.300 -6.261 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.925 -4.543 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.607 -5.731 -3.042 1.00 0.00 H new ATOM 199 N THR A 13 166.203 -2.941 -4.852 1.00 0.00 N ATOM 200 CA THR A 13 165.123 -2.252 -5.551 1.00 0.00 C ATOM 201 C THR A 13 165.637 -0.991 -6.239 1.00 0.00 C ATOM 202 O THR A 13 166.661 -0.434 -5.843 1.00 0.00 O ATOM 203 CB THR A 13 164.006 -1.894 -4.569 1.00 0.00 C ATOM 204 OG1 THR A 13 164.493 -1.041 -3.549 1.00 0.00 O ATOM 205 CG2 THR A 13 163.391 -3.103 -3.900 1.00 0.00 C ATOM 0 H THR A 13 166.170 -2.854 -3.836 1.00 0.00 H new ATOM 0 HA THR A 13 164.728 -2.922 -6.314 1.00 0.00 H new ATOM 0 HB THR A 13 163.240 -1.399 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.765 -0.821 -2.931 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.606 -2.780 -3.216 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.965 -3.761 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.159 -3.641 -3.343 1.00 0.00 H new ATOM 213 N PRO A 14 164.929 -0.517 -7.279 1.00 0.00 N ATOM 214 CA PRO A 14 165.317 0.687 -8.017 1.00 0.00 C ATOM 215 C PRO A 14 165.604 1.864 -7.090 1.00 0.00 C ATOM 216 O PRO A 14 166.520 2.649 -7.332 1.00 0.00 O ATOM 217 CB PRO A 14 164.097 0.989 -8.906 1.00 0.00 C ATOM 218 CG PRO A 14 163.010 0.085 -8.421 1.00 0.00 C ATOM 219 CD PRO A 14 163.698 -1.105 -7.818 1.00 0.00 C ATOM 0 HA PRO A 14 166.236 0.533 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.802 2.035 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.322 0.803 -9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.384 0.588 -7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.358 -0.216 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.095 -1.571 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.907 -1.874 -8.562 1.00 0.00 H new ATOM 227 N ALA A 15 164.818 1.976 -6.024 1.00 0.00 N ATOM 228 CA ALA A 15 164.991 3.054 -5.059 1.00 0.00 C ATOM 229 C ALA A 15 166.300 2.898 -4.294 1.00 0.00 C ATOM 230 O ALA A 15 167.085 3.841 -4.188 1.00 0.00 O ATOM 231 CB ALA A 15 163.815 3.094 -4.095 1.00 0.00 C ATOM 0 H ALA A 15 164.056 1.334 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 15 165.029 3.996 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.958 3.904 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.893 3.260 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.750 2.146 -3.561 1.00 0.00 H new ATOM 237 N ILE A 16 166.531 1.701 -3.764 1.00 0.00 N ATOM 238 CA ILE A 16 167.747 1.422 -3.010 1.00 0.00 C ATOM 239 C ILE A 16 168.972 1.462 -3.918 1.00 0.00 C ATOM 240 O ILE A 16 169.978 2.091 -3.592 1.00 0.00 O ATOM 241 CB ILE A 16 167.674 0.046 -2.317 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.432 -0.033 -1.431 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.929 -0.208 -1.492 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.240 -1.387 -0.782 1.00 0.00 C ATOM 0 H ILE A 16 165.892 0.910 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 16 167.837 2.197 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 16 167.607 -0.724 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.501 0.728 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.552 0.202 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.857 -1.184 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.803 -0.188 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.026 0.565 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.340 -1.372 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.139 -2.150 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.103 -1.616 -0.156 1.00 0.00 H new ATOM 256 N ARG A 17 168.879 0.786 -5.060 1.00 0.00 N ATOM 257 CA ARG A 17 169.978 0.743 -6.015 1.00 0.00 C ATOM 258 C ARG A 17 170.378 2.154 -6.449 1.00 0.00 C ATOM 259 O ARG A 17 171.535 2.408 -6.777 1.00 0.00 O ATOM 260 CB ARG A 17 169.586 -0.125 -7.225 1.00 0.00 C ATOM 261 CG ARG A 17 169.498 0.622 -8.553 1.00 0.00 C ATOM 262 CD ARG A 17 170.871 0.808 -9.176 1.00 0.00 C ATOM 263 NE ARG A 17 170.961 2.046 -9.947 1.00 0.00 N ATOM 264 CZ ARG A 17 171.863 2.261 -10.903 1.00 0.00 C ATOM 265 NH1 ARG A 17 172.756 1.327 -11.206 1.00 0.00 N ATOM 266 NH2 ARG A 17 171.875 3.416 -11.554 1.00 0.00 N ATOM 0 H ARG A 17 168.052 0.261 -5.345 1.00 0.00 H new ATOM 0 HA ARG A 17 170.846 0.292 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.313 -0.931 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 17 168.621 -0.590 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.856 0.071 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.034 1.595 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 17 171.627 0.814 -8.391 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.092 -0.040 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 17 170.294 2.789 -9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 17 172.754 0.438 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 17 173.444 1.498 -11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 17 171.194 4.139 -11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 17 172.565 3.582 -12.286 1.00 0.00 H new ATOM 280 N GLN A 18 169.408 3.066 -6.445 1.00 0.00 N ATOM 281 CA GLN A 18 169.658 4.448 -6.835 1.00 0.00 C ATOM 282 C GLN A 18 170.474 5.179 -5.773 1.00 0.00 C ATOM 283 O GLN A 18 171.492 5.801 -6.077 1.00 0.00 O ATOM 284 CB GLN A 18 168.334 5.180 -7.069 1.00 0.00 C ATOM 285 CG GLN A 18 168.504 6.638 -7.470 1.00 0.00 C ATOM 286 CD GLN A 18 168.202 6.879 -8.936 1.00 0.00 C ATOM 287 OE1 GLN A 18 167.269 6.299 -9.493 1.00 0.00 O ATOM 288 NE2 GLN A 18 168.991 7.739 -9.568 1.00 0.00 N ATOM 0 H GLN A 18 168.444 2.871 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 18 170.231 4.438 -7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.775 4.661 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 18 167.736 5.130 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 18 167.846 7.258 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.526 6.953 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 18 169.752 8.196 -9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 18 168.836 7.943 -10.555 1.00 0.00 H new ATOM 297 N HIS A 19 170.020 5.100 -4.525 1.00 0.00 N ATOM 298 CA HIS A 19 170.708 5.755 -3.416 1.00 0.00 C ATOM 299 C HIS A 19 172.158 5.291 -3.320 1.00 0.00 C ATOM 300 O HIS A 19 173.082 6.103 -3.329 1.00 0.00 O ATOM 301 CB HIS A 19 169.978 5.473 -2.101 1.00 0.00 C ATOM 302 CG HIS A 19 169.129 6.616 -1.631 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.021 7.193 -0.411 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 168.261 7.300 -2.455 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.098 8.204 -0.520 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 167.655 8.248 -1.762 1.00 0.00 N flip ATOM 0 H HIS A 19 169.179 4.589 -4.256 1.00 0.00 H new ATOM 0 HA HIS A 19 170.705 6.829 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.350 4.591 -2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.712 5.235 -1.331 1.00 0.00 H new ATOM 0 HD2 HIS A 19 168.101 7.093 -3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.785 8.857 0.281 1.00 0.00 H new ATOM 0 HE2 HIS A 19 166.962 8.903 -2.126 1.00 0.00 H new ATOM 315 N VAL A 20 172.351 3.979 -3.228 1.00 0.00 N ATOM 316 CA VAL A 20 173.689 3.408 -3.131 1.00 0.00 C ATOM 317 C VAL A 20 174.537 3.790 -4.339 1.00 0.00 C ATOM 318 O VAL A 20 175.749 3.979 -4.225 1.00 0.00 O ATOM 319 CB VAL A 20 173.640 1.872 -3.019 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.013 1.314 -2.679 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.610 1.443 -1.982 1.00 0.00 C ATOM 0 H VAL A 20 171.598 3.292 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 20 174.141 3.816 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 20 173.340 1.467 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 20 174.956 0.228 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.721 1.588 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.348 1.726 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.590 0.355 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.877 1.859 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.625 1.807 -2.275 1.00 0.00 H new ATOM 331 N ALA A 21 173.893 3.902 -5.496 1.00 0.00 N ATOM 332 CA ALA A 21 174.586 4.263 -6.725 1.00 0.00 C ATOM 333 C ALA A 21 175.185 5.662 -6.627 1.00 0.00 C ATOM 334 O ALA A 21 176.356 5.871 -6.941 1.00 0.00 O ATOM 335 CB ALA A 21 173.637 4.174 -7.913 1.00 0.00 C ATOM 0 H ALA A 21 172.891 3.748 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 21 175.403 3.556 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.169 4.447 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.261 3.155 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 21 172.801 4.857 -7.763 1.00 0.00 H new ATOM 341 N ASP A 22 174.371 6.616 -6.187 1.00 0.00 N ATOM 342 CA ASP A 22 174.819 7.997 -6.047 1.00 0.00 C ATOM 343 C ASP A 22 175.941 8.103 -5.018 1.00 0.00 C ATOM 344 O ASP A 22 176.856 8.911 -5.166 1.00 0.00 O ATOM 345 CB ASP A 22 173.648 8.897 -5.640 1.00 0.00 C ATOM 346 CG ASP A 22 173.313 9.927 -6.700 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.241 10.621 -7.169 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.124 10.041 -7.065 1.00 0.00 O ATOM 0 H ASP A 22 173.399 6.459 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 22 175.203 8.328 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.770 8.281 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.892 9.406 -4.707 1.00 0.00 H new ATOM 353 N ARG A 23 175.861 7.284 -3.975 1.00 0.00 N ATOM 354 CA ARG A 23 176.869 7.289 -2.923 1.00 0.00 C ATOM 355 C ARG A 23 178.187 6.705 -3.432 1.00 0.00 C ATOM 356 O ARG A 23 179.266 7.178 -3.077 1.00 0.00 O ATOM 357 CB ARG A 23 176.354 6.518 -1.696 1.00 0.00 C ATOM 358 CG ARG A 23 177.024 5.169 -1.461 1.00 0.00 C ATOM 359 CD ARG A 23 178.370 5.328 -0.771 1.00 0.00 C ATOM 360 NE ARG A 23 178.645 4.227 0.150 1.00 0.00 N ATOM 361 CZ ARG A 23 178.836 2.968 -0.236 1.00 0.00 C ATOM 362 NH1 ARG A 23 178.807 2.649 -1.525 1.00 0.00 N ATOM 363 NH2 ARG A 23 179.062 2.023 0.668 1.00 0.00 N ATOM 0 H ARG A 23 175.109 6.609 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 23 177.060 8.320 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.495 7.137 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 23 175.281 6.361 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 23 176.374 4.540 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 23 177.161 4.658 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 23 179.159 5.379 -1.522 1.00 0.00 H new ATOM 0 HD3 ARG A 23 178.389 6.271 -0.225 1.00 0.00 H new ATOM 0 HE ARG A 23 178.693 4.436 1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 23 178.638 3.371 -2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 23 178.954 1.682 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 23 179.089 2.262 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 23 179.208 1.058 0.371 1.00 0.00 H new ATOM 377 N LEU A 24 178.087 5.676 -4.270 1.00 0.00 N ATOM 378 CA LEU A 24 179.267 5.030 -4.831 1.00 0.00 C ATOM 379 C LEU A 24 179.970 5.957 -5.817 1.00 0.00 C ATOM 380 O LEU A 24 181.193 5.926 -5.953 1.00 0.00 O ATOM 381 CB LEU A 24 178.878 3.725 -5.526 1.00 0.00 C ATOM 382 CG LEU A 24 179.994 2.681 -5.616 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.261 2.064 -4.252 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.635 1.605 -6.631 1.00 0.00 C ATOM 0 H LEU A 24 177.201 5.273 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 24 179.954 4.805 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.033 3.286 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.536 3.956 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 24 180.905 3.178 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.057 1.324 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 180.563 2.844 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.354 1.581 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.439 0.871 -6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.712 1.112 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.497 2.061 -7.611 1.00 0.00 H new ATOM 396 N ALA A 25 179.186 6.785 -6.499 1.00 0.00 N ATOM 397 CA ALA A 25 179.729 7.727 -7.471 1.00 0.00 C ATOM 398 C ALA A 25 180.532 8.821 -6.778 1.00 0.00 C ATOM 399 O ALA A 25 181.606 9.205 -7.240 1.00 0.00 O ATOM 400 CB ALA A 25 178.607 8.337 -8.299 1.00 0.00 C ATOM 0 H ALA A 25 178.172 6.823 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 25 180.400 7.183 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.027 9.038 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.075 7.547 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 25 177.915 8.863 -7.642 1.00 0.00 H new ATOM 406 N LYS A 26 180.006 9.314 -5.660 1.00 0.00 N ATOM 407 CA LYS A 26 180.674 10.361 -4.898 1.00 0.00 C ATOM 408 C LYS A 26 182.005 9.859 -4.345 1.00 0.00 C ATOM 409 O LYS A 26 182.992 10.594 -4.310 1.00 0.00 O ATOM 410 CB LYS A 26 179.776 10.838 -3.754 1.00 0.00 C ATOM 411 CG LYS A 26 179.517 12.335 -3.767 1.00 0.00 C ATOM 412 CD LYS A 26 180.798 13.123 -3.551 1.00 0.00 C ATOM 413 CE LYS A 26 180.563 14.339 -2.670 1.00 0.00 C ATOM 414 NZ LYS A 26 179.833 15.417 -3.394 1.00 0.00 N ATOM 0 H LYS A 26 179.119 9.004 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 26 180.871 11.199 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.823 10.312 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.236 10.566 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.069 12.620 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.797 12.588 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 26 181.549 12.480 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 26 181.197 13.442 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 26 179.994 14.044 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 26 181.521 14.722 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 179.693 16.228 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 180.388 15.717 -4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 178.908 15.059 -3.708 1.00 0.00 H new ATOM 428 N LEU A 27 182.022 8.601 -3.917 1.00 0.00 N ATOM 429 CA LEU A 27 183.230 7.994 -3.366 1.00 0.00 C ATOM 430 C LEU A 27 184.389 8.074 -4.356 1.00 0.00 C ATOM 431 O LEU A 27 185.555 8.009 -3.968 1.00 0.00 O ATOM 432 CB LEU A 27 182.966 6.534 -2.994 1.00 0.00 C ATOM 433 CG LEU A 27 182.119 6.325 -1.738 1.00 0.00 C ATOM 434 CD1 LEU A 27 182.000 4.845 -1.414 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.715 7.085 -0.562 1.00 0.00 C ATOM 0 H LEU A 27 181.213 7.981 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 27 183.505 8.551 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 27 182.470 6.046 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.924 6.032 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 27 181.119 6.715 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.394 4.716 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 181.528 4.327 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 182.993 4.429 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.100 6.925 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.726 6.725 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 27 182.746 8.149 -0.795 1.00 0.00 H new ATOM 447 N GLU A 28 184.063 8.215 -5.639 1.00 0.00 N ATOM 448 CA GLU A 28 185.077 8.303 -6.687 1.00 0.00 C ATOM 449 C GLU A 28 186.159 9.317 -6.323 1.00 0.00 C ATOM 450 O GLU A 28 187.345 9.081 -6.549 1.00 0.00 O ATOM 451 CB GLU A 28 184.431 8.688 -8.019 1.00 0.00 C ATOM 452 CG GLU A 28 183.574 7.584 -8.620 1.00 0.00 C ATOM 453 CD GLU A 28 184.343 6.292 -8.817 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.416 5.492 -7.860 1.00 0.00 O ATOM 455 OE2 GLU A 28 184.873 6.081 -9.929 1.00 0.00 O ATOM 0 H GLU A 28 183.103 8.271 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 28 185.544 7.323 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.815 9.575 -7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 28 185.213 8.957 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 28 182.719 7.398 -7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 28 183.179 7.917 -9.580 1.00 0.00 H new ATOM 462 N LYS A 29 185.741 10.445 -5.757 1.00 0.00 N ATOM 463 CA LYS A 29 186.675 11.493 -5.359 1.00 0.00 C ATOM 464 C LYS A 29 186.761 11.593 -3.840 1.00 0.00 C ATOM 465 O LYS A 29 186.586 12.667 -3.263 1.00 0.00 O ATOM 466 CB LYS A 29 186.247 12.837 -5.957 1.00 0.00 C ATOM 467 CG LYS A 29 187.396 13.622 -6.573 1.00 0.00 C ATOM 468 CD LYS A 29 188.416 14.038 -5.523 1.00 0.00 C ATOM 469 CE LYS A 29 188.602 15.548 -5.482 1.00 0.00 C ATOM 470 NZ LYS A 29 188.395 16.096 -4.113 1.00 0.00 N ATOM 0 H LYS A 29 184.762 10.657 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 29 187.663 11.236 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.488 12.661 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.782 13.441 -5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 29 187.885 13.015 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 29 187.005 14.508 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 29 188.094 13.685 -4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 189.372 13.560 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 29 189.605 15.800 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.901 16.019 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 188.531 17.127 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 187.429 15.878 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 189.080 15.666 -3.460 1.00 0.00 H new ATOM 484 N TRP A 30 187.031 10.463 -3.193 1.00 0.00 N ATOM 485 CA TRP A 30 187.139 10.419 -1.739 1.00 0.00 C ATOM 486 C TRP A 30 188.523 9.933 -1.310 1.00 0.00 C ATOM 487 O TRP A 30 188.652 9.098 -0.420 1.00 0.00 O ATOM 488 CB TRP A 30 186.054 9.509 -1.157 1.00 0.00 C ATOM 489 CG TRP A 30 185.042 10.246 -0.336 1.00 0.00 C ATOM 490 CD1 TRP A 30 183.769 10.577 -0.705 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.217 10.743 0.996 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.143 11.249 0.316 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.010 11.363 1.370 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.275 10.723 1.908 1.00 0.00 C ATOM 495 CZ2 TRP A 30 183.834 11.958 2.616 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.100 11.315 3.144 1.00 0.00 C ATOM 497 CH2 TRP A 30 184.888 11.925 3.488 1.00 0.00 C ATOM 0 H TRP A 30 187.179 9.565 -3.654 1.00 0.00 H new ATOM 0 HA TRP A 30 186.998 11.429 -1.354 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.545 8.994 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 30 186.524 8.743 -0.540 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.321 10.344 -1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.188 11.605 0.293 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.213 10.253 1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 182.900 12.428 2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 186.912 11.307 3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.783 12.379 4.462 1.00 0.00 H new ATOM 508 N GLN A 31 189.558 10.458 -1.960 1.00 0.00 N ATOM 509 CA GLN A 31 190.939 10.081 -1.651 1.00 0.00 C ATOM 510 C GLN A 31 191.105 8.563 -1.522 1.00 0.00 C ATOM 511 O GLN A 31 192.086 8.089 -0.947 1.00 0.00 O ATOM 512 CB GLN A 31 191.392 10.761 -0.358 1.00 0.00 C ATOM 513 CG GLN A 31 191.043 12.239 -0.291 1.00 0.00 C ATOM 514 CD GLN A 31 192.249 13.133 -0.497 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.312 12.903 0.079 1.00 0.00 O ATOM 516 NE2 GLN A 31 192.091 14.161 -1.323 1.00 0.00 N ATOM 0 H GLN A 31 189.469 11.148 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 31 191.561 10.414 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.936 10.250 0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.471 10.646 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 31 190.293 12.466 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 31 190.594 12.459 0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 31 191.192 14.315 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 31 192.869 14.797 -1.501 1.00 0.00 H new ATOM 525 N THR A 32 190.149 7.808 -2.054 1.00 0.00 N ATOM 526 CA THR A 32 190.199 6.353 -1.993 1.00 0.00 C ATOM 527 C THR A 32 189.673 5.743 -3.288 1.00 0.00 C ATOM 528 O THR A 32 188.902 6.372 -4.012 1.00 0.00 O ATOM 529 CB THR A 32 189.383 5.842 -0.806 1.00 0.00 C ATOM 530 OG1 THR A 32 189.354 6.804 0.234 1.00 0.00 O ATOM 531 CG2 THR A 32 189.920 4.553 -0.224 1.00 0.00 C ATOM 0 H THR A 32 189.329 8.181 -2.533 1.00 0.00 H new ATOM 0 HA THR A 32 191.239 6.052 -1.863 1.00 0.00 H new ATOM 0 HB THR A 32 188.384 5.657 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.771 7.548 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 32 189.296 4.245 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.910 3.776 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.942 4.708 0.122 1.00 0.00 H new ATOM 539 N HIS A 33 190.094 4.517 -3.575 1.00 0.00 N ATOM 540 CA HIS A 33 189.664 3.824 -4.785 1.00 0.00 C ATOM 541 C HIS A 33 188.728 2.668 -4.453 1.00 0.00 C ATOM 542 O HIS A 33 187.791 2.383 -5.199 1.00 0.00 O ATOM 543 CB HIS A 33 190.874 3.307 -5.575 1.00 0.00 C ATOM 544 CG HIS A 33 192.096 3.075 -4.739 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.284 3.746 -4.939 1.00 0.00 N ATOM 546 CD2 HIS A 33 192.309 2.243 -3.691 1.00 0.00 C ATOM 547 CE1 HIS A 33 194.175 3.335 -4.055 1.00 0.00 C ATOM 548 NE2 HIS A 33 193.607 2.425 -3.286 1.00 0.00 N ATOM 0 H HIS A 33 190.733 3.982 -2.987 1.00 0.00 H new ATOM 0 HA HIS A 33 189.122 4.542 -5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 33 190.601 2.374 -6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.115 4.023 -6.360 1.00 0.00 H new ATOM 0 HD1 HIS A 33 193.449 4.450 -5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 33 191.591 1.564 -3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.194 3.684 -3.975 1.00 0.00 H new ATOM 557 N LEU A 34 188.988 2.005 -3.330 1.00 0.00 N ATOM 558 CA LEU A 34 188.168 0.876 -2.899 1.00 0.00 C ATOM 559 C LEU A 34 188.248 -0.267 -3.905 1.00 0.00 C ATOM 560 O LEU A 34 188.103 -0.057 -5.110 1.00 0.00 O ATOM 561 CB LEU A 34 186.711 1.311 -2.717 1.00 0.00 C ATOM 562 CG LEU A 34 186.480 2.373 -1.641 1.00 0.00 C ATOM 563 CD1 LEU A 34 187.010 1.897 -0.298 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.134 3.688 -2.038 1.00 0.00 C ATOM 0 H LEU A 34 189.760 2.229 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 34 188.554 0.524 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.341 1.693 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.114 0.433 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 34 185.407 2.538 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.837 2.666 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.495 0.982 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 34 188.079 1.702 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.959 4.431 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.207 3.538 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.706 4.038 -2.977 1.00 0.00 H new ATOM 576 N ILE A 35 188.486 -1.477 -3.408 1.00 0.00 N ATOM 577 CA ILE A 35 188.591 -2.647 -4.274 1.00 0.00 C ATOM 578 C ILE A 35 187.432 -3.617 -4.058 1.00 0.00 C ATOM 579 O ILE A 35 186.778 -4.033 -5.013 1.00 0.00 O ATOM 580 CB ILE A 35 189.928 -3.394 -4.064 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.395 -3.275 -2.608 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.984 -2.847 -5.014 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.741 -3.914 -2.343 1.00 0.00 C ATOM 0 H ILE A 35 188.609 -1.673 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 35 188.551 -2.274 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 35 189.775 -4.451 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.445 -2.220 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 35 189.651 -3.736 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.923 -3.379 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 35 190.654 -2.985 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 35 191.133 -1.785 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.003 -3.789 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.692 -4.977 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.499 -3.438 -2.965 1.00 0.00 H new ATOM 595 N ASN A 36 187.185 -3.981 -2.803 1.00 0.00 N ATOM 596 CA ASN A 36 186.106 -4.909 -2.479 1.00 0.00 C ATOM 597 C ASN A 36 184.969 -4.202 -1.738 1.00 0.00 C ATOM 598 O ASN A 36 184.812 -4.364 -0.528 1.00 0.00 O ATOM 599 CB ASN A 36 186.647 -6.070 -1.636 1.00 0.00 C ATOM 600 CG ASN A 36 186.480 -7.411 -2.324 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.495 -7.642 -3.026 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.444 -8.303 -2.127 1.00 0.00 N ATOM 0 H ASN A 36 187.715 -3.649 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 36 185.704 -5.301 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.703 -5.902 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.130 -6.090 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.386 -9.222 -2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.243 -8.069 -1.537 1.00 0.00 H new ATOM 609 N PRO A 37 184.159 -3.408 -2.460 1.00 0.00 N ATOM 610 CA PRO A 37 183.035 -2.680 -1.865 1.00 0.00 C ATOM 611 C PRO A 37 181.830 -3.582 -1.619 1.00 0.00 C ATOM 612 O PRO A 37 180.871 -3.579 -2.391 1.00 0.00 O ATOM 613 CB PRO A 37 182.709 -1.631 -2.924 1.00 0.00 C ATOM 614 CG PRO A 37 183.087 -2.274 -4.212 1.00 0.00 C ATOM 615 CD PRO A 37 184.271 -3.156 -3.910 1.00 0.00 C ATOM 0 HA PRO A 37 183.281 -2.263 -0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.652 -1.365 -2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.271 -0.712 -2.759 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.259 -2.858 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.341 -1.524 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.235 -4.083 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.211 -2.664 -4.159 1.00 0.00 H new ATOM 623 N HIS A 38 181.884 -4.353 -0.537 1.00 0.00 N ATOM 624 CA HIS A 38 180.797 -5.260 -0.190 1.00 0.00 C ATOM 625 C HIS A 38 179.605 -4.487 0.369 1.00 0.00 C ATOM 626 O HIS A 38 179.775 -3.468 1.038 1.00 0.00 O ATOM 627 CB HIS A 38 181.275 -6.296 0.829 1.00 0.00 C ATOM 628 CG HIS A 38 181.001 -7.711 0.420 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.952 -8.708 0.466 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.870 -8.296 -0.046 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.421 -9.842 0.047 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.158 -9.620 -0.267 1.00 0.00 N ATOM 0 H HIS A 38 182.669 -4.367 0.114 1.00 0.00 H new ATOM 0 HA HIS A 38 180.480 -5.775 -1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.347 -6.173 0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.790 -6.103 1.786 1.00 0.00 H new ATOM 0 HD1 HIS A 38 182.916 -8.588 0.776 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.920 -7.811 -0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.933 -10.790 -0.026 1.00 0.00 H new ATOM 641 N ILE A 39 178.402 -4.975 0.090 1.00 0.00 N ATOM 642 CA ILE A 39 177.187 -4.324 0.567 1.00 0.00 C ATOM 643 C ILE A 39 176.120 -5.345 0.953 1.00 0.00 C ATOM 644 O ILE A 39 175.679 -6.144 0.127 1.00 0.00 O ATOM 645 CB ILE A 39 176.612 -3.363 -0.491 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.665 -2.323 -0.885 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.351 -2.684 0.032 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.120 -1.183 -1.720 1.00 0.00 C ATOM 0 H ILE A 39 178.242 -5.817 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 39 177.465 -3.752 1.452 1.00 0.00 H new ATOM 0 HB ILE A 39 176.344 -3.938 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.114 -1.915 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 39 178.461 -2.819 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.959 -2.009 -0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.602 -3.440 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.590 -2.117 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 39 177.926 -0.489 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.697 -1.578 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 39 176.345 -0.660 -1.160 1.00 0.00 H new ATOM 660 N ILE A 40 175.712 -5.310 2.218 1.00 0.00 N ATOM 661 CA ILE A 40 174.696 -6.223 2.724 1.00 0.00 C ATOM 662 C ILE A 40 173.431 -5.468 3.121 1.00 0.00 C ATOM 663 O ILE A 40 173.268 -5.075 4.277 1.00 0.00 O ATOM 664 CB ILE A 40 175.210 -7.015 3.941 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.567 -7.652 3.627 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.204 -8.078 4.352 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.177 -8.389 4.801 1.00 0.00 C ATOM 0 H ILE A 40 176.072 -4.656 2.913 1.00 0.00 H new ATOM 0 HA ILE A 40 174.464 -6.919 1.918 1.00 0.00 H new ATOM 0 HB ILE A 40 175.336 -6.324 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.449 -8.346 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.257 -6.874 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.586 -8.626 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.259 -7.602 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.045 -8.768 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.136 -8.814 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.327 -7.695 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.507 -9.189 5.116 1.00 0.00 H new ATOM 679 N LEU A 41 172.538 -5.265 2.156 1.00 0.00 N ATOM 680 CA LEU A 41 171.290 -4.553 2.405 1.00 0.00 C ATOM 681 C LEU A 41 170.154 -5.534 2.684 1.00 0.00 C ATOM 682 O LEU A 41 169.597 -6.132 1.765 1.00 0.00 O ATOM 683 CB LEU A 41 170.941 -3.666 1.206 1.00 0.00 C ATOM 684 CG LEU A 41 169.520 -3.091 1.205 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.554 -1.569 1.189 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.733 -3.620 0.014 1.00 0.00 C ATOM 0 H LEU A 41 172.656 -5.584 1.194 1.00 0.00 H new ATOM 0 HA LEU A 41 171.423 -3.923 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.650 -2.839 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 41 171.081 -4.246 0.294 1.00 0.00 H new ATOM 0 HG LEU A 41 169.021 -3.411 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.535 -1.182 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.079 -1.207 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 41 170.073 -1.226 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.726 -3.202 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.233 -3.330 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.675 -4.707 0.070 1.00 0.00 H new ATOM 698 N SER A 42 169.824 -5.701 3.960 1.00 0.00 N ATOM 699 CA SER A 42 168.761 -6.618 4.355 1.00 0.00 C ATOM 700 C SER A 42 167.568 -5.866 4.937 1.00 0.00 C ATOM 701 O SER A 42 167.664 -4.682 5.263 1.00 0.00 O ATOM 702 CB SER A 42 169.287 -7.626 5.379 1.00 0.00 C ATOM 703 OG SER A 42 170.385 -8.356 4.858 1.00 0.00 O ATOM 0 H SER A 42 170.275 -5.216 4.736 1.00 0.00 H new ATOM 0 HA SER A 42 168.428 -7.148 3.462 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.591 -7.103 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.489 -8.314 5.660 1.00 0.00 H new ATOM 0 HG SER A 42 171.207 -8.084 5.318 1.00 0.00 H new ATOM 709 N LYS A 43 166.447 -6.567 5.068 1.00 0.00 N ATOM 710 CA LYS A 43 165.231 -5.977 5.618 1.00 0.00 C ATOM 711 C LYS A 43 164.958 -6.526 7.014 1.00 0.00 C ATOM 712 O LYS A 43 164.478 -7.651 7.164 1.00 0.00 O ATOM 713 CB LYS A 43 164.042 -6.261 4.698 1.00 0.00 C ATOM 714 CG LYS A 43 162.713 -5.757 5.240 1.00 0.00 C ATOM 715 CD LYS A 43 161.834 -6.900 5.721 1.00 0.00 C ATOM 716 CE LYS A 43 161.537 -7.884 4.601 1.00 0.00 C ATOM 717 NZ LYS A 43 160.277 -8.639 4.845 1.00 0.00 N ATOM 0 H LYS A 43 166.355 -7.547 4.800 1.00 0.00 H new ATOM 0 HA LYS A 43 165.370 -4.898 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.227 -5.800 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.972 -7.336 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.894 -5.066 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.191 -5.198 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 43 162.328 -7.420 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 43 160.899 -6.501 6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.461 -7.346 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 43 162.367 -8.584 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.110 -9.299 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.359 -9.173 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.481 -7.973 4.913 1.00 0.00 H new ATOM 731 N GLU A 44 165.272 -5.732 8.032 1.00 0.00 N ATOM 732 CA GLU A 44 165.066 -6.147 9.414 1.00 0.00 C ATOM 733 C GLU A 44 163.747 -5.607 9.966 1.00 0.00 C ATOM 734 O GLU A 44 163.343 -4.488 9.650 1.00 0.00 O ATOM 735 CB GLU A 44 166.230 -5.675 10.291 1.00 0.00 C ATOM 736 CG GLU A 44 167.120 -6.806 10.778 1.00 0.00 C ATOM 737 CD GLU A 44 167.966 -6.411 11.971 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.483 -5.614 12.803 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.110 -6.899 12.076 1.00 0.00 O ATOM 0 H GLU A 44 165.670 -4.799 7.926 1.00 0.00 H new ATOM 0 HA GLU A 44 165.022 -7.236 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.835 -4.965 9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.831 -5.140 11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.500 -7.662 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.772 -7.126 9.965 1.00 0.00 H new ATOM 746 N PRO A 45 163.060 -6.407 10.801 1.00 0.00 N ATOM 747 CA PRO A 45 161.785 -6.034 11.409 1.00 0.00 C ATOM 748 C PRO A 45 161.714 -4.561 11.797 1.00 0.00 C ATOM 749 O PRO A 45 160.756 -3.863 11.464 1.00 0.00 O ATOM 750 CB PRO A 45 161.726 -6.897 12.678 1.00 0.00 C ATOM 751 CG PRO A 45 162.838 -7.900 12.577 1.00 0.00 C ATOM 752 CD PRO A 45 163.466 -7.750 11.219 1.00 0.00 C ATOM 0 HA PRO A 45 160.960 -6.190 10.713 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.842 -6.281 13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.761 -7.397 12.760 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.577 -7.732 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.454 -8.911 12.712 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.551 -7.845 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.109 -8.511 10.525 1.00 0.00 H new ATOM 760 N GLN A 46 162.722 -4.107 12.529 1.00 0.00 N ATOM 761 CA GLN A 46 162.766 -2.729 12.998 1.00 0.00 C ATOM 762 C GLN A 46 163.674 -1.857 12.133 1.00 0.00 C ATOM 763 O GLN A 46 164.458 -1.060 12.653 1.00 0.00 O ATOM 764 CB GLN A 46 163.235 -2.703 14.451 1.00 0.00 C ATOM 765 CG GLN A 46 162.584 -1.611 15.284 1.00 0.00 C ATOM 766 CD GLN A 46 161.069 -1.689 15.265 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.387 -0.677 15.100 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.535 -2.893 15.436 1.00 0.00 N ATOM 0 H GLN A 46 163.522 -4.674 12.811 1.00 0.00 H new ATOM 0 HA GLN A 46 161.760 -2.315 12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.026 -3.670 14.908 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.316 -2.568 14.472 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.935 -1.686 16.313 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.899 -0.637 14.910 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.139 -3.704 15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.521 -3.006 15.434 1.00 0.00 H new ATOM 777 N GLY A 47 163.553 -1.990 10.815 1.00 0.00 N ATOM 778 CA GLY A 47 164.360 -1.181 9.917 1.00 0.00 C ATOM 779 C GLY A 47 165.287 -1.994 9.036 1.00 0.00 C ATOM 780 O GLY A 47 165.410 -3.209 9.191 1.00 0.00 O ATOM 0 H GLY A 47 162.915 -2.639 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.700 -0.587 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.953 -0.481 10.506 1.00 0.00 H new ATOM 784 N PHE A 48 165.944 -1.305 8.105 1.00 0.00 N ATOM 785 CA PHE A 48 166.872 -1.943 7.178 1.00 0.00 C ATOM 786 C PHE A 48 168.272 -2.024 7.775 1.00 0.00 C ATOM 787 O PHE A 48 168.709 -1.113 8.484 1.00 0.00 O ATOM 788 CB PHE A 48 166.933 -1.156 5.866 1.00 0.00 C ATOM 789 CG PHE A 48 165.864 -1.506 4.863 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.880 -2.443 5.149 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.851 -0.890 3.623 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.906 -2.751 4.217 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.881 -1.194 2.689 1.00 0.00 C ATOM 794 CZ PHE A 48 163.907 -2.125 2.987 1.00 0.00 C ATOM 0 H PHE A 48 165.849 -0.298 7.974 1.00 0.00 H new ATOM 0 HA PHE A 48 166.510 -2.953 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.862 -0.093 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.908 -1.319 5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.875 -2.937 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 48 166.611 -0.161 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.145 -3.481 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.884 -0.704 1.727 1.00 0.00 H new ATOM 0 HZ PHE A 48 163.146 -2.364 2.258 1.00 0.00 H new ATOM 804 N VAL A 49 168.967 -3.116 7.470 1.00 0.00 N ATOM 805 CA VAL A 49 170.327 -3.326 7.955 1.00 0.00 C ATOM 806 C VAL A 49 171.323 -3.227 6.807 1.00 0.00 C ATOM 807 O VAL A 49 171.707 -4.237 6.215 1.00 0.00 O ATOM 808 CB VAL A 49 170.479 -4.703 8.626 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.818 -4.803 9.342 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.332 -4.956 9.589 1.00 0.00 C ATOM 0 H VAL A 49 168.609 -3.872 6.887 1.00 0.00 H new ATOM 0 HA VAL A 49 170.530 -2.549 8.692 1.00 0.00 H new ATOM 0 HB VAL A 49 170.449 -5.470 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.908 -5.783 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.626 -4.669 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.881 -4.028 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.456 -5.934 10.054 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.328 -4.186 10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.388 -4.930 9.045 1.00 0.00 H new ATOM 820 N ALA A 50 171.728 -2.004 6.488 1.00 0.00 N ATOM 821 CA ALA A 50 172.669 -1.774 5.399 1.00 0.00 C ATOM 822 C ALA A 50 174.112 -1.825 5.888 1.00 0.00 C ATOM 823 O ALA A 50 174.612 -0.869 6.479 1.00 0.00 O ATOM 824 CB ALA A 50 172.378 -0.437 4.734 1.00 0.00 C ATOM 0 H ALA A 50 171.420 -1.158 6.967 1.00 0.00 H new ATOM 0 HA ALA A 50 172.542 -2.572 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.086 -0.273 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.363 -0.442 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.476 0.363 5.468 1.00 0.00 H new ATOM 830 N ASP A 51 174.776 -2.948 5.636 1.00 0.00 N ATOM 831 CA ASP A 51 176.165 -3.129 6.046 1.00 0.00 C ATOM 832 C ASP A 51 177.090 -3.140 4.833 1.00 0.00 C ATOM 833 O ASP A 51 177.190 -4.144 4.126 1.00 0.00 O ATOM 834 CB ASP A 51 176.321 -4.430 6.834 1.00 0.00 C ATOM 835 CG ASP A 51 175.879 -4.287 8.278 1.00 0.00 C ATOM 836 OD1 ASP A 51 174.686 -3.997 8.507 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.725 -4.467 9.179 1.00 0.00 O ATOM 0 H ASP A 51 174.374 -3.749 5.149 1.00 0.00 H new ATOM 0 HA ASP A 51 176.443 -2.291 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.737 -5.215 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.364 -4.746 6.805 1.00 0.00 H new ATOM 842 N ALA A 52 177.758 -2.017 4.591 1.00 0.00 N ATOM 843 CA ALA A 52 178.667 -1.894 3.457 1.00 0.00 C ATOM 844 C ALA A 52 180.125 -2.021 3.891 1.00 0.00 C ATOM 845 O ALA A 52 180.674 -1.120 4.524 1.00 0.00 O ATOM 846 CB ALA A 52 178.440 -0.566 2.747 1.00 0.00 C ATOM 0 H ALA A 52 177.687 -1.178 5.166 1.00 0.00 H new ATOM 0 HA ALA A 52 178.455 -2.711 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 52 179.123 -0.484 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.412 -0.516 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.622 0.254 3.442 1.00 0.00 H new ATOM 852 N THR A 53 180.748 -3.140 3.535 1.00 0.00 N ATOM 853 CA THR A 53 182.146 -3.382 3.876 1.00 0.00 C ATOM 854 C THR A 53 183.045 -3.050 2.692 1.00 0.00 C ATOM 855 O THR A 53 183.039 -3.750 1.679 1.00 0.00 O ATOM 856 CB THR A 53 182.349 -4.838 4.295 1.00 0.00 C ATOM 857 OG1 THR A 53 181.278 -5.282 5.110 1.00 0.00 O ATOM 858 CG2 THR A 53 183.633 -5.068 5.065 1.00 0.00 C ATOM 0 H THR A 53 180.306 -3.895 3.010 1.00 0.00 H new ATOM 0 HA THR A 53 182.413 -2.736 4.713 1.00 0.00 H new ATOM 0 HB THR A 53 182.396 -5.400 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.427 -6.216 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.714 -6.122 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.484 -4.784 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.626 -4.464 5.972 1.00 0.00 H new ATOM 866 N ILE A 54 183.808 -1.971 2.819 1.00 0.00 N ATOM 867 CA ILE A 54 184.702 -1.536 1.752 1.00 0.00 C ATOM 868 C ILE A 54 186.164 -1.734 2.137 1.00 0.00 C ATOM 869 O ILE A 54 186.569 -1.421 3.257 1.00 0.00 O ATOM 870 CB ILE A 54 184.472 -0.053 1.390 1.00 0.00 C ATOM 871 CG1 ILE A 54 183.105 0.420 1.901 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.578 0.147 -0.114 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.743 1.825 1.473 1.00 0.00 C ATOM 0 H ILE A 54 183.826 -1.381 3.651 1.00 0.00 H new ATOM 0 HA ILE A 54 184.474 -2.153 0.883 1.00 0.00 H new ATOM 0 HB ILE A 54 185.244 0.545 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.337 -0.267 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 54 183.098 0.369 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.413 1.197 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.571 -0.151 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.826 -0.462 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.763 2.086 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.488 2.524 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.716 1.878 0.385 1.00 0.00 H new ATOM 885 N ASN A 55 186.952 -2.253 1.202 1.00 0.00 N ATOM 886 CA ASN A 55 188.368 -2.492 1.444 1.00 0.00 C ATOM 887 C ASN A 55 189.217 -1.357 0.877 1.00 0.00 C ATOM 888 O ASN A 55 189.524 -1.331 -0.317 1.00 0.00 O ATOM 889 CB ASN A 55 188.798 -3.827 0.828 1.00 0.00 C ATOM 890 CG ASN A 55 190.275 -4.119 1.028 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.935 -4.663 0.144 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.804 -3.762 2.194 1.00 0.00 N ATOM 0 H ASN A 55 186.633 -2.516 0.270 1.00 0.00 H new ATOM 0 HA ASN A 55 188.523 -2.533 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 55 188.210 -4.632 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.575 -3.818 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.791 -3.937 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.223 -3.313 2.902 1.00 0.00 H new ATOM 899 N THR A 56 189.595 -0.422 1.744 1.00 0.00 N ATOM 900 CA THR A 56 190.411 0.719 1.342 1.00 0.00 C ATOM 901 C THR A 56 191.894 0.419 1.558 1.00 0.00 C ATOM 902 O THR A 56 192.243 -0.480 2.324 1.00 0.00 O ATOM 903 CB THR A 56 190.008 1.965 2.140 1.00 0.00 C ATOM 904 OG1 THR A 56 190.608 1.953 3.424 1.00 0.00 O ATOM 905 CG2 THR A 56 188.512 2.102 2.336 1.00 0.00 C ATOM 0 H THR A 56 189.348 -0.433 2.734 1.00 0.00 H new ATOM 0 HA THR A 56 190.243 0.907 0.281 1.00 0.00 H new ATOM 0 HB THR A 56 190.356 2.809 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.483 2.826 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.301 3.005 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 56 188.022 2.166 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.135 1.234 2.876 1.00 0.00 H new ATOM 913 N PRO A 57 192.791 1.166 0.892 1.00 0.00 N ATOM 914 CA PRO A 57 194.238 0.967 1.027 1.00 0.00 C ATOM 915 C PRO A 57 194.711 1.078 2.476 1.00 0.00 C ATOM 916 O PRO A 57 195.795 0.606 2.820 1.00 0.00 O ATOM 917 CB PRO A 57 194.848 2.092 0.178 1.00 0.00 C ATOM 918 CG PRO A 57 193.741 3.068 -0.036 1.00 0.00 C ATOM 919 CD PRO A 57 192.476 2.260 -0.039 1.00 0.00 C ATOM 0 HA PRO A 57 194.535 -0.031 0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.690 2.558 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 57 195.224 1.709 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.723 3.818 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.867 3.601 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.621 2.845 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.235 1.888 -1.035 1.00 0.00 H new ATOM 927 N ASN A 58 193.896 1.705 3.321 1.00 0.00 N ATOM 928 CA ASN A 58 194.241 1.877 4.729 1.00 0.00 C ATOM 929 C ASN A 58 193.441 0.926 5.617 1.00 0.00 C ATOM 930 O ASN A 58 193.206 1.212 6.791 1.00 0.00 O ATOM 931 CB ASN A 58 193.991 3.323 5.162 1.00 0.00 C ATOM 932 CG ASN A 58 192.593 3.796 4.818 1.00 0.00 C ATOM 933 OD1 ASN A 58 191.603 3.262 5.316 1.00 0.00 O ATOM 934 ND2 ASN A 58 192.506 4.806 3.959 1.00 0.00 N ATOM 0 H ASN A 58 192.994 2.101 3.056 1.00 0.00 H new ATOM 0 HA ASN A 58 195.299 1.642 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 58 194.146 3.409 6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.721 3.975 4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 58 191.592 5.168 3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 58 193.354 5.219 3.570 1.00 0.00 H new ATOM 941 N GLY A 59 193.028 -0.206 5.053 1.00 0.00 N ATOM 942 CA GLY A 59 192.266 -1.178 5.817 1.00 0.00 C ATOM 943 C GLY A 59 190.921 -1.494 5.188 1.00 0.00 C ATOM 944 O GLY A 59 190.798 -1.556 3.965 1.00 0.00 O ATOM 0 H GLY A 59 193.207 -0.467 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.845 -2.097 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 59 192.110 -0.799 6.827 1.00 0.00 H new ATOM 948 N VAL A 60 189.912 -1.698 6.027 1.00 0.00 N ATOM 949 CA VAL A 60 188.572 -2.012 5.545 1.00 0.00 C ATOM 950 C VAL A 60 187.522 -1.156 6.242 1.00 0.00 C ATOM 951 O VAL A 60 187.227 -1.353 7.421 1.00 0.00 O ATOM 952 CB VAL A 60 188.230 -3.499 5.761 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.931 -3.859 5.057 1.00 0.00 C ATOM 954 CG2 VAL A 60 189.368 -4.385 5.277 1.00 0.00 C ATOM 0 H VAL A 60 189.996 -1.652 7.042 1.00 0.00 H new ATOM 0 HA VAL A 60 188.563 -1.796 4.477 1.00 0.00 H new ATOM 0 HB VAL A 60 188.096 -3.668 6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.708 -4.913 5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 60 186.120 -3.250 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 60 187.033 -3.673 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 60 189.108 -5.431 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.537 -4.212 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 60 190.276 -4.147 5.832 1.00 0.00 H new ATOM 964 N LEU A 61 186.961 -0.205 5.506 1.00 0.00 N ATOM 965 CA LEU A 61 185.941 0.681 6.049 1.00 0.00 C ATOM 966 C LEU A 61 184.600 -0.038 6.144 1.00 0.00 C ATOM 967 O LEU A 61 183.977 -0.346 5.128 1.00 0.00 O ATOM 968 CB LEU A 61 185.806 1.931 5.174 1.00 0.00 C ATOM 969 CG LEU A 61 186.850 3.029 5.417 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.317 4.062 6.396 1.00 0.00 C ATOM 971 CD2 LEU A 61 188.162 2.436 5.920 1.00 0.00 C ATOM 0 H LEU A 61 187.196 -0.028 4.529 1.00 0.00 H new ATOM 0 HA LEU A 61 186.245 0.981 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.861 1.628 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.815 2.357 5.331 1.00 0.00 H new ATOM 0 HG LEU A 61 187.049 3.524 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.070 4.833 6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 61 185.413 4.516 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.085 3.578 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.884 3.236 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.987 1.908 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 61 188.554 1.740 5.179 1.00 0.00 H new ATOM 983 N VAL A 62 184.168 -0.312 7.370 1.00 0.00 N ATOM 984 CA VAL A 62 182.908 -1.005 7.597 1.00 0.00 C ATOM 985 C VAL A 62 181.763 -0.018 7.791 1.00 0.00 C ATOM 986 O VAL A 62 181.635 0.605 8.846 1.00 0.00 O ATOM 987 CB VAL A 62 182.995 -1.938 8.824 1.00 0.00 C ATOM 988 CG1 VAL A 62 181.631 -2.536 9.152 1.00 0.00 C ATOM 989 CG2 VAL A 62 184.016 -3.037 8.577 1.00 0.00 C ATOM 0 H VAL A 62 184.673 -0.064 8.221 1.00 0.00 H new ATOM 0 HA VAL A 62 182.710 -1.606 6.710 1.00 0.00 H new ATOM 0 HB VAL A 62 183.318 -1.348 9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 62 181.719 -3.189 10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.926 -1.735 9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 62 181.272 -3.112 8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 62 184.068 -3.688 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.719 -3.621 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.994 -2.591 8.398 1.00 0.00 H new ATOM 999 N ALA A 63 180.932 0.112 6.765 1.00 0.00 N ATOM 1000 CA ALA A 63 179.791 1.014 6.814 1.00 0.00 C ATOM 1001 C ALA A 63 178.557 0.294 7.343 1.00 0.00 C ATOM 1002 O ALA A 63 177.923 -0.473 6.623 1.00 0.00 O ATOM 1003 CB ALA A 63 179.516 1.584 5.431 1.00 0.00 C ATOM 0 H ALA A 63 181.028 -0.398 5.887 1.00 0.00 H new ATOM 0 HA ALA A 63 180.027 1.833 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.660 2.258 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.391 2.133 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 63 179.299 0.770 4.739 1.00 0.00 H new ATOM 1009 N SER A 64 178.234 0.532 8.610 1.00 0.00 N ATOM 1010 CA SER A 64 177.081 -0.108 9.234 1.00 0.00 C ATOM 1011 C SER A 64 175.971 0.902 9.512 1.00 0.00 C ATOM 1012 O SER A 64 176.095 1.745 10.400 1.00 0.00 O ATOM 1013 CB SER A 64 177.497 -0.791 10.538 1.00 0.00 C ATOM 1014 OG SER A 64 178.891 -1.044 10.560 1.00 0.00 O ATOM 0 H SER A 64 178.752 1.161 9.223 1.00 0.00 H new ATOM 0 HA SER A 64 176.698 -0.856 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 64 177.225 -0.161 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.952 -1.728 10.651 1.00 0.00 H new ATOM 0 HG SER A 64 179.131 -1.479 11.405 1.00 0.00 H new ATOM 1020 N GLY A 65 174.885 0.808 8.752 1.00 0.00 N ATOM 1021 CA GLY A 65 173.766 1.712 8.935 1.00 0.00 C ATOM 1022 C GLY A 65 172.460 0.972 9.148 1.00 0.00 C ATOM 1023 O GLY A 65 172.226 -0.073 8.539 1.00 0.00 O ATOM 0 H GLY A 65 174.760 0.119 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.959 2.358 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.677 2.358 8.062 1.00 0.00 H new ATOM 1027 N LYS A 66 171.610 1.507 10.016 1.00 0.00 N ATOM 1028 CA LYS A 66 170.325 0.883 10.306 1.00 0.00 C ATOM 1029 C LYS A 66 169.250 1.936 10.551 1.00 0.00 C ATOM 1030 O LYS A 66 169.496 2.947 11.211 1.00 0.00 O ATOM 1031 CB LYS A 66 170.448 -0.035 11.526 1.00 0.00 C ATOM 1032 CG LYS A 66 169.128 -0.646 11.972 1.00 0.00 C ATOM 1033 CD LYS A 66 168.567 0.071 13.189 1.00 0.00 C ATOM 1034 CE LYS A 66 169.412 -0.186 14.426 1.00 0.00 C ATOM 1035 NZ LYS A 66 169.277 0.907 15.429 1.00 0.00 N ATOM 0 H LYS A 66 171.787 2.370 10.530 1.00 0.00 H new ATOM 0 HA LYS A 66 170.032 0.290 9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.149 -0.837 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.873 0.532 12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 66 168.408 -0.596 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.274 -1.701 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 66 168.523 1.142 12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 66 167.545 -0.262 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 66 169.115 -1.132 14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 66 170.458 -0.286 14.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 169.869 0.693 16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 169.585 1.806 15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 168.283 0.986 15.725 1.00 0.00 H new ATOM 1049 N HIS A 67 168.055 1.696 10.019 1.00 0.00 N ATOM 1050 CA HIS A 67 166.946 2.630 10.191 1.00 0.00 C ATOM 1051 C HIS A 67 165.615 2.004 9.783 1.00 0.00 C ATOM 1052 O HIS A 67 165.572 1.085 8.965 1.00 0.00 O ATOM 1053 CB HIS A 67 167.196 3.907 9.385 1.00 0.00 C ATOM 1054 CG HIS A 67 167.149 5.153 10.214 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.423 5.254 11.381 1.00 0.00 N ATOM 1056 CD2 HIS A 67 167.742 6.356 10.037 1.00 0.00 C ATOM 1057 CE1 HIS A 67 166.571 6.466 11.887 1.00 0.00 C ATOM 1058 NE2 HIS A 67 167.368 7.154 11.091 1.00 0.00 N ATOM 0 H HIS A 67 167.830 0.868 9.468 1.00 0.00 H new ATOM 0 HA HIS A 67 166.887 2.880 11.250 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.171 3.838 8.902 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.451 3.979 8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 67 168.389 6.637 9.219 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.117 6.831 12.797 1.00 0.00 H new ATOM 0 HE2 HIS A 67 167.659 8.121 11.235 1.00 0.00 H new ATOM 1067 N GLU A 68 164.530 2.507 10.369 1.00 0.00 N ATOM 1068 CA GLU A 68 163.191 1.999 10.082 1.00 0.00 C ATOM 1069 C GLU A 68 162.822 2.185 8.611 1.00 0.00 C ATOM 1070 O GLU A 68 162.149 1.339 8.021 1.00 0.00 O ATOM 1071 CB GLU A 68 162.157 2.691 10.977 1.00 0.00 C ATOM 1072 CG GLU A 68 161.883 4.142 10.608 1.00 0.00 C ATOM 1073 CD GLU A 68 163.000 5.076 11.030 1.00 0.00 C ATOM 1074 OE1 GLU A 68 163.386 5.043 12.217 1.00 0.00 O ATOM 1075 OE2 GLU A 68 163.489 5.842 10.172 1.00 0.00 O ATOM 0 H GLU A 68 164.553 3.268 11.047 1.00 0.00 H new ATOM 0 HA GLU A 68 163.190 0.930 10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.222 2.133 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 68 162.502 2.650 12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 68 161.740 4.217 9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.952 4.462 11.076 1.00 0.00 H new ATOM 1082 N ASP A 69 163.254 3.299 8.026 1.00 0.00 N ATOM 1083 CA ASP A 69 162.952 3.592 6.628 1.00 0.00 C ATOM 1084 C ASP A 69 164.126 3.228 5.722 1.00 0.00 C ATOM 1085 O ASP A 69 165.282 3.237 6.145 1.00 0.00 O ATOM 1086 CB ASP A 69 162.594 5.071 6.462 1.00 0.00 C ATOM 1087 CG ASP A 69 161.196 5.268 5.910 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.984 4.977 4.714 1.00 0.00 O ATOM 1089 OD2 ASP A 69 160.313 5.715 6.671 1.00 0.00 O ATOM 0 H ASP A 69 163.812 4.011 8.496 1.00 0.00 H new ATOM 0 HA ASP A 69 162.097 2.984 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.675 5.572 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.315 5.544 5.795 1.00 0.00 H new ATOM 1094 N MET A 70 163.812 2.907 4.471 1.00 0.00 N ATOM 1095 CA MET A 70 164.826 2.533 3.490 1.00 0.00 C ATOM 1096 C MET A 70 165.815 3.673 3.258 1.00 0.00 C ATOM 1097 O MET A 70 167.002 3.548 3.558 1.00 0.00 O ATOM 1098 CB MET A 70 164.154 2.144 2.168 1.00 0.00 C ATOM 1099 CG MET A 70 165.127 1.921 1.019 1.00 0.00 C ATOM 1100 SD MET A 70 164.807 3.004 -0.389 1.00 0.00 S ATOM 1101 CE MET A 70 163.089 2.624 -0.725 1.00 0.00 C ATOM 0 H MET A 70 162.858 2.898 4.111 1.00 0.00 H new ATOM 0 HA MET A 70 165.379 1.679 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 70 163.575 1.234 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.449 2.927 1.887 1.00 0.00 H new ATOM 0 HG2 MET A 70 166.145 2.085 1.374 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.066 0.882 0.694 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.729 3.255 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.997 1.576 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.494 2.809 0.169 1.00 0.00 H new ATOM 1111 N TYR A 71 165.320 4.777 2.710 1.00 0.00 N ATOM 1112 CA TYR A 71 166.163 5.933 2.423 1.00 0.00 C ATOM 1113 C TYR A 71 166.903 6.412 3.668 1.00 0.00 C ATOM 1114 O TYR A 71 168.084 6.752 3.601 1.00 0.00 O ATOM 1115 CB TYR A 71 165.326 7.070 1.830 1.00 0.00 C ATOM 1116 CG TYR A 71 164.978 6.874 0.366 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.731 6.030 -0.446 1.00 0.00 C ATOM 1118 CD2 TYR A 71 163.896 7.533 -0.204 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.416 5.850 -1.776 1.00 0.00 C ATOM 1120 CE2 TYR A 71 163.574 7.357 -1.538 1.00 0.00 C ATOM 1121 CZ TYR A 71 164.337 6.515 -2.318 1.00 0.00 C ATOM 1122 OH TYR A 71 164.019 6.337 -3.645 1.00 0.00 O ATOM 0 H TYR A 71 164.340 4.896 2.455 1.00 0.00 H new ATOM 0 HA TYR A 71 166.910 5.624 1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.404 7.167 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 71 165.871 8.007 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.577 5.507 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 71 163.296 8.194 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.012 5.191 -2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 71 162.729 7.877 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 71 163.232 6.876 -3.868 1.00 0.00 H new ATOM 1132 N THR A 72 166.215 6.431 4.802 1.00 0.00 N ATOM 1133 CA THR A 72 166.833 6.862 6.050 1.00 0.00 C ATOM 1134 C THR A 72 167.996 5.941 6.409 1.00 0.00 C ATOM 1135 O THR A 72 168.946 6.352 7.074 1.00 0.00 O ATOM 1136 CB THR A 72 165.808 6.882 7.183 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.127 5.643 7.264 1.00 0.00 O ATOM 1138 CG2 THR A 72 164.769 7.973 7.031 1.00 0.00 C ATOM 0 H THR A 72 165.236 6.155 4.884 1.00 0.00 H new ATOM 0 HA THR A 72 167.213 7.874 5.912 1.00 0.00 H new ATOM 0 HB THR A 72 166.381 7.076 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 72 165.612 4.968 6.744 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.072 7.931 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.262 8.945 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 72 164.224 7.829 6.098 1.00 0.00 H new ATOM 1146 N ALA A 73 167.913 4.690 5.959 1.00 0.00 N ATOM 1147 CA ALA A 73 168.956 3.709 6.227 1.00 0.00 C ATOM 1148 C ALA A 73 170.211 3.999 5.410 1.00 0.00 C ATOM 1149 O ALA A 73 171.328 3.896 5.915 1.00 0.00 O ATOM 1150 CB ALA A 73 168.445 2.306 5.934 1.00 0.00 C ATOM 0 H ALA A 73 167.132 4.334 5.407 1.00 0.00 H new ATOM 0 HA ALA A 73 169.221 3.777 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.233 1.582 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.584 2.093 6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.151 2.237 4.887 1.00 0.00 H new ATOM 1156 N ILE A 74 170.021 4.363 4.144 1.00 0.00 N ATOM 1157 CA ILE A 74 171.152 4.669 3.267 1.00 0.00 C ATOM 1158 C ILE A 74 171.884 5.919 3.748 1.00 0.00 C ATOM 1159 O ILE A 74 173.111 5.933 3.846 1.00 0.00 O ATOM 1160 CB ILE A 74 170.748 4.877 1.778 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.265 4.569 1.529 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.623 4.022 0.873 1.00 0.00 C ATOM 1163 CD1 ILE A 74 168.912 3.101 1.638 1.00 0.00 C ATOM 0 H ILE A 74 169.105 4.453 3.704 1.00 0.00 H new ATOM 0 HA ILE A 74 171.802 3.795 3.316 1.00 0.00 H new ATOM 0 HB ILE A 74 170.903 5.930 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.663 5.130 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 74 168.993 4.924 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.331 4.176 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.667 4.306 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.498 2.971 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 74 167.847 2.968 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.485 2.534 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.150 2.743 2.640 1.00 0.00 H new ATOM 1175 N ASN A 75 171.122 6.968 4.046 1.00 0.00 N ATOM 1176 CA ASN A 75 171.696 8.225 4.517 1.00 0.00 C ATOM 1177 C ASN A 75 172.566 7.999 5.750 1.00 0.00 C ATOM 1178 O ASN A 75 173.741 8.365 5.770 1.00 0.00 O ATOM 1179 CB ASN A 75 170.588 9.228 4.836 1.00 0.00 C ATOM 1180 CG ASN A 75 169.723 9.539 3.631 1.00 0.00 C ATOM 1181 OD1 ASN A 75 168.411 9.443 3.805 1.00 0.00 O flip ATOM 1182 ND2 ASN A 75 170.229 9.863 2.557 1.00 0.00 N flip ATOM 0 H ASN A 75 170.105 6.972 3.970 1.00 0.00 H new ATOM 0 HA ASN A 75 172.323 8.629 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.962 8.831 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.033 10.151 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 75 171.243 9.924 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.634 10.071 1.755 1.00 0.00 H new ATOM 1189 N GLU A 76 171.980 7.386 6.776 1.00 0.00 N ATOM 1190 CA GLU A 76 172.701 7.105 8.013 1.00 0.00 C ATOM 1191 C GLU A 76 173.978 6.325 7.722 1.00 0.00 C ATOM 1192 O GLU A 76 175.051 6.656 8.226 1.00 0.00 O ATOM 1193 CB GLU A 76 171.814 6.318 8.980 1.00 0.00 C ATOM 1194 CG GLU A 76 171.899 6.807 10.416 1.00 0.00 C ATOM 1195 CD GLU A 76 170.643 6.507 11.209 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.396 5.316 11.501 1.00 0.00 O ATOM 1197 OE2 GLU A 76 169.905 7.458 11.537 1.00 0.00 O ATOM 0 H GLU A 76 171.009 7.075 6.774 1.00 0.00 H new ATOM 0 HA GLU A 76 172.970 8.054 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.779 6.381 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.097 5.266 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.753 6.339 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 172.079 7.882 10.420 1.00 0.00 H new ATOM 1204 N LEU A 77 173.852 5.290 6.896 1.00 0.00 N ATOM 1205 CA LEU A 77 174.990 4.459 6.522 1.00 0.00 C ATOM 1206 C LEU A 77 176.180 5.318 6.104 1.00 0.00 C ATOM 1207 O LEU A 77 177.312 5.089 6.532 1.00 0.00 O ATOM 1208 CB LEU A 77 174.601 3.527 5.369 1.00 0.00 C ATOM 1209 CG LEU A 77 174.785 2.028 5.627 1.00 0.00 C ATOM 1210 CD1 LEU A 77 174.753 1.261 4.314 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.088 1.756 6.364 1.00 0.00 C ATOM 0 H LEU A 77 172.969 5.007 6.472 1.00 0.00 H new ATOM 0 HA LEU A 77 175.277 3.867 7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 77 173.555 3.707 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 77 175.189 3.800 4.493 1.00 0.00 H new ATOM 0 HG LEU A 77 173.962 1.688 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 77 174.885 0.197 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 77 173.794 1.423 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.557 1.613 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.193 0.684 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 77 176.926 2.112 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.080 2.276 7.322 1.00 0.00 H new ATOM 1223 N ILE A 78 175.908 6.303 5.256 1.00 0.00 N ATOM 1224 CA ILE A 78 176.940 7.201 4.756 1.00 0.00 C ATOM 1225 C ILE A 78 177.615 7.964 5.897 1.00 0.00 C ATOM 1226 O ILE A 78 178.839 8.066 5.946 1.00 0.00 O ATOM 1227 CB ILE A 78 176.352 8.190 3.714 1.00 0.00 C ATOM 1228 CG1 ILE A 78 176.916 7.893 2.325 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.618 9.642 4.096 1.00 0.00 C ATOM 1230 CD1 ILE A 78 176.653 6.478 1.857 1.00 0.00 C ATOM 0 H ILE A 78 174.973 6.500 4.898 1.00 0.00 H new ATOM 0 HA ILE A 78 177.699 6.591 4.265 1.00 0.00 H new ATOM 0 HB ILE A 78 175.271 8.048 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 78 176.482 8.591 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.991 8.071 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 78 176.190 10.301 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 78 176.161 9.853 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 78 177.693 9.811 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 78 177.081 6.338 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.110 5.774 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 78 175.578 6.302 1.817 1.00 0.00 H new ATOM 1242 N ASN A 79 176.810 8.505 6.806 1.00 0.00 N ATOM 1243 CA ASN A 79 177.335 9.265 7.938 1.00 0.00 C ATOM 1244 C ASN A 79 178.417 8.478 8.678 1.00 0.00 C ATOM 1245 O ASN A 79 179.495 9.003 8.964 1.00 0.00 O ATOM 1246 CB ASN A 79 176.189 9.657 8.889 1.00 0.00 C ATOM 1247 CG ASN A 79 176.195 8.882 10.197 1.00 0.00 C ATOM 1248 OD1 ASN A 79 177.101 9.028 11.015 1.00 0.00 O ATOM 1249 ND2 ASN A 79 175.176 8.054 10.398 1.00 0.00 N ATOM 0 H ASN A 79 175.793 8.432 6.782 1.00 0.00 H new ATOM 0 HA ASN A 79 177.797 10.176 7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.257 10.723 9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 79 175.237 9.495 8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.124 7.509 11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.445 7.964 9.692 1.00 0.00 H new ATOM 1256 N LYS A 80 178.125 7.217 8.982 1.00 0.00 N ATOM 1257 CA LYS A 80 179.072 6.362 9.688 1.00 0.00 C ATOM 1258 C LYS A 80 180.298 6.079 8.824 1.00 0.00 C ATOM 1259 O LYS A 80 181.433 6.285 9.254 1.00 0.00 O ATOM 1260 CB LYS A 80 178.401 5.047 10.093 1.00 0.00 C ATOM 1261 CG LYS A 80 178.720 4.617 11.517 1.00 0.00 C ATOM 1262 CD LYS A 80 177.496 4.704 12.415 1.00 0.00 C ATOM 1263 CE LYS A 80 177.887 4.799 13.883 1.00 0.00 C ATOM 1264 NZ LYS A 80 177.028 5.762 14.625 1.00 0.00 N ATOM 0 H LYS A 80 177.240 6.765 8.750 1.00 0.00 H new ATOM 0 HA LYS A 80 179.397 6.886 10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.321 5.151 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.715 4.261 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.097 3.594 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.513 5.248 11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.902 5.575 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.867 3.827 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.810 3.814 14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 80 178.930 5.107 13.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 177.326 5.798 15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 177.121 6.707 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.036 5.455 14.572 1.00 0.00 H new ATOM 1278 N LEU A 81 180.058 5.606 7.606 1.00 0.00 N ATOM 1279 CA LEU A 81 181.141 5.293 6.678 1.00 0.00 C ATOM 1280 C LEU A 81 182.042 6.503 6.453 1.00 0.00 C ATOM 1281 O LEU A 81 183.267 6.387 6.466 1.00 0.00 O ATOM 1282 CB LEU A 81 180.568 4.819 5.340 1.00 0.00 C ATOM 1283 CG LEU A 81 181.597 4.294 4.335 1.00 0.00 C ATOM 1284 CD1 LEU A 81 182.282 5.449 3.620 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.627 3.412 5.028 1.00 0.00 C ATOM 0 H LEU A 81 179.123 5.431 7.237 1.00 0.00 H new ATOM 0 HA LEU A 81 181.741 4.496 7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.840 4.031 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.027 5.647 4.882 1.00 0.00 H new ATOM 0 HG LEU A 81 181.072 3.690 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 81 183.010 5.057 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 181.537 6.040 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 81 182.790 6.079 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.348 3.050 4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.146 3.990 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.125 2.563 5.493 1.00 0.00 H new ATOM 1297 N GLU A 82 181.428 7.665 6.245 1.00 0.00 N ATOM 1298 CA GLU A 82 182.178 8.896 6.012 1.00 0.00 C ATOM 1299 C GLU A 82 183.195 9.135 7.124 1.00 0.00 C ATOM 1300 O GLU A 82 184.402 9.141 6.883 1.00 0.00 O ATOM 1301 CB GLU A 82 181.229 10.091 5.908 1.00 0.00 C ATOM 1302 CG GLU A 82 181.672 11.131 4.892 1.00 0.00 C ATOM 1303 CD GLU A 82 180.549 11.558 3.966 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.094 10.719 3.159 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.126 12.730 4.045 1.00 0.00 O ATOM 0 H GLU A 82 180.415 7.780 6.233 1.00 0.00 H new ATOM 0 HA GLU A 82 182.715 8.787 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.235 9.733 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.144 10.564 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.057 12.005 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.493 10.728 4.299 1.00 0.00 H new ATOM 1312 N ARG A 83 182.699 9.332 8.342 1.00 0.00 N ATOM 1313 CA ARG A 83 183.564 9.573 9.493 1.00 0.00 C ATOM 1314 C ARG A 83 184.701 8.557 9.545 1.00 0.00 C ATOM 1315 O ARG A 83 185.848 8.908 9.828 1.00 0.00 O ATOM 1316 CB ARG A 83 182.748 9.525 10.785 1.00 0.00 C ATOM 1317 CG ARG A 83 182.309 10.895 11.280 1.00 0.00 C ATOM 1318 CD ARG A 83 181.603 11.686 10.189 1.00 0.00 C ATOM 1319 NE ARG A 83 181.515 13.109 10.512 1.00 0.00 N ATOM 1320 CZ ARG A 83 180.525 13.651 11.218 1.00 0.00 C ATOM 1321 NH1 ARG A 83 179.547 12.893 11.699 1.00 0.00 N ATOM 1322 NH2 ARG A 83 180.518 14.957 11.450 1.00 0.00 N ATOM 0 H ARG A 83 181.702 9.330 8.558 1.00 0.00 H new ATOM 0 HA ARG A 83 184.002 10.565 9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.865 8.906 10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 83 183.340 9.040 11.561 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.642 10.777 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.178 11.452 11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.137 11.561 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 83 180.600 11.285 10.042 1.00 0.00 H new ATOM 0 HE ARG A 83 182.257 13.724 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 83 179.550 11.887 11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 83 178.792 13.316 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 83 181.270 15.543 11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 83 179.761 15.375 11.991 1.00 0.00 H new ATOM 1336 N GLN A 84 184.377 7.299 9.263 1.00 0.00 N ATOM 1337 CA GLN A 84 185.377 6.237 9.269 1.00 0.00 C ATOM 1338 C GLN A 84 186.440 6.504 8.209 1.00 0.00 C ATOM 1339 O GLN A 84 187.617 6.200 8.403 1.00 0.00 O ATOM 1340 CB GLN A 84 184.719 4.879 9.013 1.00 0.00 C ATOM 1341 CG GLN A 84 183.773 4.437 10.118 1.00 0.00 C ATOM 1342 CD GLN A 84 182.529 3.752 9.583 1.00 0.00 C ATOM 1343 OE1 GLN A 84 181.429 3.943 10.101 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.697 2.943 8.542 1.00 0.00 N ATOM 0 H GLN A 84 183.433 6.991 9.028 1.00 0.00 H new ATOM 0 HA GLN A 84 185.851 6.219 10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.169 4.924 8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.497 4.126 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 84 184.297 3.757 10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.480 5.305 10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.626 2.812 8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.897 2.453 8.143 1.00 0.00 H new ATOM 1353 N LEU A 85 186.013 7.079 7.088 1.00 0.00 N ATOM 1354 CA LEU A 85 186.923 7.394 5.993 1.00 0.00 C ATOM 1355 C LEU A 85 187.957 8.427 6.429 1.00 0.00 C ATOM 1356 O LEU A 85 189.144 8.122 6.542 1.00 0.00 O ATOM 1357 CB LEU A 85 186.140 7.910 4.782 1.00 0.00 C ATOM 1358 CG LEU A 85 186.373 7.136 3.483 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.178 7.278 2.553 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.645 7.618 2.797 1.00 0.00 C ATOM 0 H LEU A 85 185.041 7.336 6.915 1.00 0.00 H new ATOM 0 HA LEU A 85 187.447 6.480 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.076 7.882 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.403 8.955 4.617 1.00 0.00 H new ATOM 0 HG LEU A 85 186.492 6.081 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 85 185.363 6.720 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.287 6.885 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.026 8.331 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 85 187.796 7.057 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.554 8.679 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.497 7.463 3.459 1.00 0.00 H new ATOM 1372 N ASN A 86 187.496 9.652 6.671 1.00 0.00 N ATOM 1373 CA ASN A 86 188.383 10.734 7.096 1.00 0.00 C ATOM 1374 C ASN A 86 189.247 10.306 8.278 1.00 0.00 C ATOM 1375 O ASN A 86 190.370 10.782 8.447 1.00 0.00 O ATOM 1376 CB ASN A 86 187.588 11.991 7.466 1.00 0.00 C ATOM 1377 CG ASN A 86 186.251 11.671 8.098 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.140 11.544 9.318 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.226 11.540 7.268 1.00 0.00 N ATOM 0 H ASN A 86 186.516 9.921 6.581 1.00 0.00 H new ATOM 0 HA ASN A 86 189.033 10.967 6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.175 12.598 8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.428 12.591 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.298 11.325 7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.365 11.654 6.264 1.00 0.00 H new ATOM 1386 N LYS A 87 188.713 9.403 9.095 1.00 0.00 N ATOM 1387 CA LYS A 87 189.432 8.908 10.262 1.00 0.00 C ATOM 1388 C LYS A 87 190.754 8.265 9.854 1.00 0.00 C ATOM 1389 O LYS A 87 191.828 8.774 10.175 1.00 0.00 O ATOM 1390 CB LYS A 87 188.572 7.896 11.020 1.00 0.00 C ATOM 1391 CG LYS A 87 189.246 7.332 12.261 1.00 0.00 C ATOM 1392 CD LYS A 87 189.760 5.920 12.025 1.00 0.00 C ATOM 1393 CE LYS A 87 188.629 4.964 11.676 1.00 0.00 C ATOM 1394 NZ LYS A 87 187.422 5.196 12.518 1.00 0.00 N ATOM 0 H LYS A 87 187.785 9.000 8.969 1.00 0.00 H new ATOM 0 HA LYS A 87 189.647 9.755 10.914 1.00 0.00 H new ATOM 0 HB2 LYS A 87 187.636 8.373 11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.317 7.075 10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.075 7.978 12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.539 7.329 13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.492 5.929 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.275 5.565 12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.366 5.082 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.970 3.937 11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 186.787 4.375 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 187.710 5.327 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 186.925 6.047 12.186 1.00 0.00 H new ATOM 1408 N LEU A 88 190.666 7.145 9.144 1.00 0.00 N ATOM 1409 CA LEU A 88 191.856 6.432 8.692 1.00 0.00 C ATOM 1410 C LEU A 88 192.608 7.242 7.641 1.00 0.00 C ATOM 1411 O LEU A 88 193.831 7.149 7.528 1.00 0.00 O ATOM 1412 CB LEU A 88 191.468 5.065 8.120 1.00 0.00 C ATOM 1413 CG LEU A 88 191.570 3.899 9.105 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.719 2.730 8.637 1.00 0.00 C ATOM 1415 CD2 LEU A 88 193.019 3.472 9.276 1.00 0.00 C ATOM 0 H LEU A 88 189.784 6.712 8.869 1.00 0.00 H new ATOM 0 HA LEU A 88 192.512 6.287 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 88 190.444 5.120 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 88 192.106 4.853 7.262 1.00 0.00 H new ATOM 0 HG LEU A 88 191.194 4.231 10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.804 1.910 9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.677 3.043 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 88 191.065 2.397 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 88 193.073 2.642 9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 88 193.422 3.158 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 88 193.603 4.310 9.658 1.00 0.00 H new