USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=22 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 66 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0776) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 169:sc= 1.16 (180deg=1.1) USER MOD Set 2.1: A 56 THR OG1 : rot -77:sc= 1.06 USER MOD Set 2.2: A 58 ASN : amide:sc= -5.04! C(o=-4!,f=-7.1!) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.575 K(o=-0.93,f=-4.2!) USER MOD Set 3.2: A 36 ASN : amide:sc= -0.0993 K(o=-0.93,f=-1.8) USER MOD Set 3.3: A 38 HIS : no HD1:sc= -0.258 X(o=-0.93,f=-0.5) USER MOD Set 4.1: A 1 MET CE :methyl 149:sc= -0.509 (180deg=-1.9!) USER MOD Set 4.2: A 2 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 1 MET N :NH3+ 166:sc= -3.32! (180deg=-3.69!) USER MOD Single : A 3 MET CE :methyl -147:sc= -3.1! (180deg=-4.48!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -113:sc= 0.52 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.906 F(o=-2,f=-0.91) USER MOD Single : A 10 MET CE :methyl -129:sc= -0.294 (180deg=-1.62!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -3.39! USER MOD Single : A 18 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.32) USER MOD Single : A 19 HIS : no HD1:sc= -7.78! C(o=-7.8!,f=-7.7!) 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 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -160:sc= -1.8 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.0805 F(o=-0.63,f=-0.081) USER MOD Single : A 42 SER OG : rot 110:sc= -1.97 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.42) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.56! C(o=-2.6!,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -2.38! F(o=-3.5,f=-2.4!) USER MOD Single : A 70 MET CE :methyl -147:sc= -0.413 (180deg=-1.57!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 75 ASN : amide:sc= 1.17 K(o=1.2,f=-0.027) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.434 F(o=-1,f=-0.43) USER MOD Single : A 84 GLN : amide:sc= -4.48! C(o=-4.5!,f=-4.7!) USER MOD Single : A 86 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 187.397 -1.511 -7.307 1.00 0.00 N ATOM 2 CA MET A 1 187.354 -2.034 -8.698 1.00 0.00 C ATOM 3 C MET A 1 186.112 -2.888 -8.932 1.00 0.00 C ATOM 4 O MET A 1 185.373 -2.674 -9.894 1.00 0.00 O ATOM 5 CB MET A 1 188.616 -2.862 -8.947 1.00 0.00 C ATOM 6 CG MET A 1 189.123 -2.784 -10.378 1.00 0.00 C ATOM 7 SD MET A 1 190.034 -4.260 -10.872 1.00 0.00 S ATOM 8 CE MET A 1 188.816 -5.533 -10.556 1.00 0.00 C ATOM 0 H1 MET A 1 188.348 -1.141 -7.105 1.00 0.00 H new ATOM 0 H2 MET A 1 186.698 -0.748 -7.201 1.00 0.00 H new ATOM 0 H3 MET A 1 187.175 -2.278 -6.641 1.00 0.00 H new ATOM 0 HA MET A 1 187.310 -1.195 -9.392 1.00 0.00 H new ATOM 0 HB2 MET A 1 189.402 -2.522 -8.273 1.00 0.00 H new ATOM 0 HB3 MET A 1 188.412 -3.904 -8.699 1.00 0.00 H new ATOM 0 HG2 MET A 1 188.278 -2.640 -11.052 1.00 0.00 H new ATOM 0 HG3 MET A 1 189.767 -1.911 -10.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 188.955 -6.352 -11.261 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.935 -5.906 -9.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 187.816 -5.117 -10.675 1.00 0.00 H new ATOM 20 N THR A 2 185.891 -3.861 -8.054 1.00 0.00 N ATOM 21 CA THR A 2 184.742 -4.752 -8.173 1.00 0.00 C ATOM 22 C THR A 2 183.494 -4.135 -7.545 1.00 0.00 C ATOM 23 O THR A 2 183.503 -2.979 -7.124 1.00 0.00 O ATOM 24 CB THR A 2 185.045 -6.098 -7.511 1.00 0.00 C ATOM 25 OG1 THR A 2 186.442 -6.284 -7.366 1.00 0.00 O ATOM 26 CG2 THR A 2 184.503 -7.279 -8.285 1.00 0.00 C ATOM 0 H THR A 2 186.492 -4.053 -7.253 1.00 0.00 H new ATOM 0 HA THR A 2 184.549 -4.907 -9.234 1.00 0.00 H new ATOM 0 HB THR A 2 184.550 -6.060 -6.541 1.00 0.00 H new ATOM 0 HG1 THR A 2 186.614 -7.149 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.752 -8.202 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.420 -7.192 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.946 -7.296 -9.281 1.00 0.00 H new ATOM 34 N MET A 3 182.425 -4.923 -7.487 1.00 0.00 N ATOM 35 CA MET A 3 181.162 -4.474 -6.911 1.00 0.00 C ATOM 36 C MET A 3 180.394 -5.657 -6.332 1.00 0.00 C ATOM 37 O MET A 3 179.727 -6.394 -7.059 1.00 0.00 O ATOM 38 CB MET A 3 180.315 -3.763 -7.971 1.00 0.00 C ATOM 39 CG MET A 3 180.114 -2.282 -7.694 1.00 0.00 C ATOM 40 SD MET A 3 178.508 -1.926 -6.956 1.00 0.00 S ATOM 41 CE MET A 3 177.997 -0.509 -7.924 1.00 0.00 C ATOM 0 H MET A 3 182.409 -5.882 -7.834 1.00 0.00 H new ATOM 0 HA MET A 3 181.379 -3.770 -6.108 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.791 -3.881 -8.944 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.341 -4.249 -8.032 1.00 0.00 H new ATOM 0 HG2 MET A 3 180.902 -1.931 -7.028 1.00 0.00 H new ATOM 0 HG3 MET A 3 180.213 -1.725 -8.626 1.00 0.00 H new ATOM 0 HE1 MET A 3 177.404 0.162 -7.302 1.00 0.00 H new ATOM 0 HE2 MET A 3 178.878 0.019 -8.290 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.397 -0.844 -8.770 1.00 0.00 H new ATOM 51 N ASN A 4 180.504 -5.846 -5.020 1.00 0.00 N ATOM 52 CA ASN A 4 179.831 -6.953 -4.350 1.00 0.00 C ATOM 53 C ASN A 4 178.599 -6.485 -3.582 1.00 0.00 C ATOM 54 O ASN A 4 178.675 -5.579 -2.752 1.00 0.00 O ATOM 55 CB ASN A 4 180.798 -7.660 -3.400 1.00 0.00 C ATOM 56 CG ASN A 4 182.054 -8.136 -4.102 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.218 -7.941 -5.307 1.00 0.00 O ATOM 58 ND2 ASN A 4 182.950 -8.766 -3.351 1.00 0.00 N ATOM 0 H ASN A 4 181.052 -5.248 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 4 179.500 -7.651 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.072 -6.981 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.296 -8.512 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 4 183.815 -9.110 -3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.774 -8.906 -2.356 1.00 0.00 H new ATOM 65 N ILE A 5 177.467 -7.124 -3.860 1.00 0.00 N ATOM 66 CA ILE A 5 176.209 -6.800 -3.195 1.00 0.00 C ATOM 67 C ILE A 5 175.436 -8.077 -2.876 1.00 0.00 C ATOM 68 O ILE A 5 175.087 -8.839 -3.776 1.00 0.00 O ATOM 69 CB ILE A 5 175.329 -5.878 -4.062 1.00 0.00 C ATOM 70 CG1 ILE A 5 176.107 -4.625 -4.474 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.058 -5.497 -3.314 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.437 -4.578 -5.950 1.00 0.00 C ATOM 0 H ILE A 5 177.395 -7.875 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 5 176.455 -6.275 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 5 175.048 -6.419 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 5 175.524 -3.742 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 5 177.033 -4.577 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.448 -4.846 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.495 -6.398 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.320 -4.974 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.988 -3.664 -6.171 1.00 0.00 H new ATOM 0 HD12 ILE A 5 177.047 -5.442 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 5 175.514 -4.594 -6.530 1.00 0.00 H new ATOM 84 N THR A 6 175.183 -8.314 -1.592 1.00 0.00 N ATOM 85 CA THR A 6 174.466 -9.513 -1.172 1.00 0.00 C ATOM 86 C THR A 6 173.454 -9.207 -0.071 1.00 0.00 C ATOM 87 O THR A 6 173.818 -9.065 1.094 1.00 0.00 O ATOM 88 CB THR A 6 175.458 -10.574 -0.684 1.00 0.00 C ATOM 89 OG1 THR A 6 176.790 -10.103 -0.777 1.00 0.00 O ATOM 90 CG2 THR A 6 175.377 -11.869 -1.463 1.00 0.00 C ATOM 0 H THR A 6 175.462 -7.696 -0.830 1.00 0.00 H new ATOM 0 HA THR A 6 173.919 -9.892 -2.036 1.00 0.00 H new ATOM 0 HB THR A 6 175.182 -10.769 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.405 -10.796 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.105 -12.578 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 6 174.375 -12.288 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 6 175.593 -11.676 -2.514 1.00 0.00 H new ATOM 98 N SER A 7 172.182 -9.122 -0.447 1.00 0.00 N ATOM 99 CA SER A 7 171.117 -8.850 0.512 1.00 0.00 C ATOM 100 C SER A 7 170.529 -10.159 1.037 1.00 0.00 C ATOM 101 O SER A 7 170.553 -11.176 0.345 1.00 0.00 O ATOM 102 CB SER A 7 170.023 -8.001 -0.135 1.00 0.00 C ATOM 103 OG SER A 7 170.437 -6.651 -0.263 1.00 0.00 O ATOM 0 H SER A 7 171.863 -9.238 -1.409 1.00 0.00 H new ATOM 0 HA SER A 7 171.538 -8.295 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.778 -8.405 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.115 -8.051 0.466 1.00 0.00 H new ATOM 0 HG SER A 7 169.890 -6.084 0.321 1.00 0.00 H new ATOM 109 N LYS A 8 170.014 -10.138 2.264 1.00 0.00 N ATOM 110 CA LYS A 8 169.439 -11.339 2.865 1.00 0.00 C ATOM 111 C LYS A 8 168.018 -11.601 2.361 1.00 0.00 C ATOM 112 O LYS A 8 167.827 -12.323 1.382 1.00 0.00 O ATOM 113 CB LYS A 8 169.450 -11.229 4.393 1.00 0.00 C ATOM 114 CG LYS A 8 170.717 -11.768 5.034 1.00 0.00 C ATOM 115 CD LYS A 8 171.959 -11.097 4.466 1.00 0.00 C ATOM 116 CE LYS A 8 173.217 -11.885 4.796 1.00 0.00 C ATOM 117 NZ LYS A 8 173.550 -12.877 3.736 1.00 0.00 N ATOM 0 H LYS A 8 169.983 -9.309 2.858 1.00 0.00 H new ATOM 0 HA LYS A 8 170.057 -12.185 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.328 -10.183 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.592 -11.769 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.677 -11.609 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.778 -12.844 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 8 171.861 -11.002 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 8 172.045 -10.087 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 8 174.053 -11.197 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 8 173.082 -12.402 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 174.414 -13.392 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 172.764 -13.550 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 173.705 -12.383 2.834 1.00 0.00 H new ATOM 131 N GLN A 9 167.025 -11.025 3.036 1.00 0.00 N ATOM 132 CA GLN A 9 165.630 -11.218 2.649 1.00 0.00 C ATOM 133 C GLN A 9 165.022 -9.933 2.090 1.00 0.00 C ATOM 134 O GLN A 9 163.897 -9.568 2.433 1.00 0.00 O ATOM 135 CB GLN A 9 164.810 -11.707 3.846 1.00 0.00 C ATOM 136 CG GLN A 9 164.687 -10.683 4.965 1.00 0.00 C ATOM 137 CD GLN A 9 165.871 -10.707 5.912 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.548 -9.573 6.040 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 166.173 -11.733 6.520 1.00 0.00 N flip ATOM 0 H GLN A 9 167.160 -10.424 3.849 1.00 0.00 H new ATOM 0 HA GLN A 9 165.605 -11.973 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 9 163.812 -11.979 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.269 -12.612 4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.593 -9.687 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.773 -10.873 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.624 -12.583 6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.973 -11.734 7.153 1.00 0.00 H new ATOM 148 N MET A 10 165.769 -9.254 1.229 1.00 0.00 N ATOM 149 CA MET A 10 165.293 -8.015 0.626 1.00 0.00 C ATOM 150 C MET A 10 166.172 -7.604 -0.549 1.00 0.00 C ATOM 151 O MET A 10 167.290 -7.125 -0.365 1.00 0.00 O ATOM 152 CB MET A 10 165.256 -6.894 1.667 1.00 0.00 C ATOM 153 CG MET A 10 164.741 -5.572 1.119 1.00 0.00 C ATOM 154 SD MET A 10 163.139 -5.731 0.305 1.00 0.00 S ATOM 155 CE MET A 10 162.060 -5.024 1.546 1.00 0.00 C ATOM 0 H MET A 10 166.703 -9.538 0.933 1.00 0.00 H new ATOM 0 HA MET A 10 164.283 -8.190 0.255 1.00 0.00 H new ATOM 0 HB2 MET A 10 164.624 -7.203 2.500 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.260 -6.746 2.066 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.660 -4.853 1.934 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.465 -5.170 0.410 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.235 -5.709 1.744 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.622 -4.858 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 10 161.664 -4.074 1.186 1.00 0.00 H new ATOM 165 N GLU A 11 165.656 -7.791 -1.760 1.00 0.00 N ATOM 166 CA GLU A 11 166.391 -7.437 -2.967 1.00 0.00 C ATOM 167 C GLU A 11 166.776 -5.961 -2.953 1.00 0.00 C ATOM 168 O GLU A 11 166.535 -5.257 -1.972 1.00 0.00 O ATOM 169 CB GLU A 11 165.552 -7.749 -4.208 1.00 0.00 C ATOM 170 CG GLU A 11 165.174 -9.215 -4.332 1.00 0.00 C ATOM 171 CD GLU A 11 163.696 -9.415 -4.606 1.00 0.00 C ATOM 172 OE1 GLU A 11 162.883 -9.150 -3.697 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.352 -9.838 -5.731 1.00 0.00 O ATOM 0 H GLU A 11 164.731 -8.186 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 11 167.304 -8.031 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.643 -7.149 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.107 -7.449 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 11 165.753 -9.669 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 11 165.443 -9.735 -3.412 1.00 0.00 H new ATOM 180 N ILE A 12 167.375 -5.498 -4.043 1.00 0.00 N ATOM 181 CA ILE A 12 167.792 -4.105 -4.148 1.00 0.00 C ATOM 182 C ILE A 12 166.692 -3.248 -4.766 1.00 0.00 C ATOM 183 O ILE A 12 166.412 -3.344 -5.961 1.00 0.00 O ATOM 184 CB ILE A 12 169.079 -3.957 -4.987 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.023 -5.140 -4.743 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.777 -2.642 -4.660 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.308 -5.399 -3.279 1.00 0.00 C ATOM 0 H ILE A 12 167.583 -6.065 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 12 167.993 -3.760 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 12 168.803 -3.951 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 12 169.588 -6.037 -5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 12 170.964 -4.955 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.683 -2.552 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.109 -1.810 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 12 170.039 -2.622 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.983 -6.250 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.772 -4.517 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.375 -5.616 -2.760 1.00 0.00 H new ATOM 199 N THR A 13 166.072 -2.410 -3.941 1.00 0.00 N ATOM 200 CA THR A 13 165.000 -1.534 -4.400 1.00 0.00 C ATOM 201 C THR A 13 165.550 -0.431 -5.303 1.00 0.00 C ATOM 202 O THR A 13 166.729 -0.086 -5.225 1.00 0.00 O ATOM 203 CB THR A 13 164.275 -0.914 -3.201 1.00 0.00 C ATOM 204 OG1 THR A 13 165.067 0.099 -2.606 1.00 0.00 O ATOM 205 CG2 THR A 13 163.933 -1.921 -2.123 1.00 0.00 C ATOM 0 H THR A 13 166.294 -2.319 -2.950 1.00 0.00 H new ATOM 0 HA THR A 13 164.293 -2.132 -4.975 1.00 0.00 H new ATOM 0 HB THR A 13 163.348 -0.506 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 13 164.587 0.484 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.421 -1.417 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.283 -2.691 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.849 -2.381 -1.751 1.00 0.00 H new ATOM 213 N PRO A 14 164.700 0.142 -6.175 1.00 0.00 N ATOM 214 CA PRO A 14 165.108 1.212 -7.091 1.00 0.00 C ATOM 215 C PRO A 14 165.794 2.361 -6.360 1.00 0.00 C ATOM 216 O PRO A 14 166.785 2.913 -6.840 1.00 0.00 O ATOM 217 CB PRO A 14 163.788 1.685 -7.721 1.00 0.00 C ATOM 218 CG PRO A 14 162.705 1.070 -6.895 1.00 0.00 C ATOM 219 CD PRO A 14 163.280 -0.198 -6.337 1.00 0.00 C ATOM 0 HA PRO A 14 165.834 0.862 -7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.717 2.773 -7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 14 163.715 1.369 -8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.395 1.743 -6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 14 161.822 0.865 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.817 -0.471 -5.389 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.139 -1.040 -7.014 1.00 0.00 H new ATOM 227 N ALA A 15 165.262 2.713 -5.196 1.00 0.00 N ATOM 228 CA ALA A 15 165.825 3.793 -4.398 1.00 0.00 C ATOM 229 C ALA A 15 167.202 3.411 -3.864 1.00 0.00 C ATOM 230 O ALA A 15 168.170 4.156 -4.019 1.00 0.00 O ATOM 231 CB ALA A 15 164.887 4.145 -3.252 1.00 0.00 C ATOM 0 H ALA A 15 164.442 2.266 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 15 165.940 4.669 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 165.320 4.954 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.925 4.463 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.744 3.270 -2.617 1.00 0.00 H new ATOM 237 N ILE A 16 167.281 2.242 -3.234 1.00 0.00 N ATOM 238 CA ILE A 16 168.537 1.760 -2.673 1.00 0.00 C ATOM 239 C ILE A 16 169.616 1.646 -3.747 1.00 0.00 C ATOM 240 O ILE A 16 170.742 2.103 -3.553 1.00 0.00 O ATOM 241 CB ILE A 16 168.352 0.391 -1.985 1.00 0.00 C ATOM 242 CG1 ILE A 16 167.273 0.484 -0.903 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.665 -0.093 -1.386 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.640 -0.847 -0.563 1.00 0.00 C ATOM 0 H ILE A 16 166.490 1.612 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 16 168.855 2.491 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 16 168.033 -0.332 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 16 167.711 0.910 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 16 166.496 1.172 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.512 -1.060 -0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.410 -0.194 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 16 170.015 0.628 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.885 -0.704 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.172 -1.265 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.406 -1.532 -0.200 1.00 0.00 H new ATOM 256 N ARG A 17 169.271 1.037 -4.878 1.00 0.00 N ATOM 257 CA ARG A 17 170.226 0.871 -5.968 1.00 0.00 C ATOM 258 C ARG A 17 170.762 2.223 -6.431 1.00 0.00 C ATOM 259 O ARG A 17 171.933 2.347 -6.789 1.00 0.00 O ATOM 260 CB ARG A 17 169.584 0.111 -7.140 1.00 0.00 C ATOM 261 CG ARG A 17 168.663 0.951 -8.014 1.00 0.00 C ATOM 262 CD ARG A 17 168.482 0.322 -9.388 1.00 0.00 C ATOM 263 NE ARG A 17 167.884 -1.008 -9.306 1.00 0.00 N ATOM 264 CZ ARG A 17 166.604 -1.272 -9.564 1.00 0.00 C ATOM 265 NH1 ARG A 17 165.770 -0.300 -9.914 1.00 0.00 N ATOM 266 NH2 ARG A 17 166.154 -2.516 -9.467 1.00 0.00 N ATOM 0 H ARG A 17 168.344 0.653 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 17 171.065 0.283 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.376 -0.304 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.017 -0.731 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 17 167.693 1.056 -7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.075 1.954 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 17 167.852 0.966 -10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 17 169.449 0.255 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 17 168.486 -1.785 -9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 17 166.107 0.660 -9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 17 164.792 -0.513 -10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 17 166.788 -3.268 -9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 17 165.174 -2.721 -9.664 1.00 0.00 H new ATOM 280 N GLN A 18 169.898 3.233 -6.417 1.00 0.00 N ATOM 281 CA GLN A 18 170.288 4.576 -6.832 1.00 0.00 C ATOM 282 C GLN A 18 171.093 5.273 -5.738 1.00 0.00 C ATOM 283 O GLN A 18 172.066 5.971 -6.021 1.00 0.00 O ATOM 284 CB GLN A 18 169.049 5.406 -7.175 1.00 0.00 C ATOM 285 CG GLN A 18 168.494 5.126 -8.563 1.00 0.00 C ATOM 286 CD GLN A 18 169.542 5.269 -9.649 1.00 0.00 C ATOM 287 OE1 GLN A 18 170.244 6.277 -9.722 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.654 4.256 -10.501 1.00 0.00 N ATOM 0 H GLN A 18 168.925 3.147 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 18 170.915 4.487 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.273 5.208 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 18 169.298 6.464 -7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.084 4.116 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.670 5.810 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 18 169.051 3.439 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.343 4.295 -11.252 1.00 0.00 H new ATOM 297 N HIS A 19 170.680 5.076 -4.490 1.00 0.00 N ATOM 298 CA HIS A 19 171.361 5.685 -3.353 1.00 0.00 C ATOM 299 C HIS A 19 172.789 5.155 -3.228 1.00 0.00 C ATOM 300 O HIS A 19 173.730 5.923 -3.024 1.00 0.00 O ATOM 301 CB HIS A 19 170.587 5.412 -2.060 1.00 0.00 C ATOM 302 CG HIS A 19 169.884 6.616 -1.512 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.149 7.481 -2.295 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.799 7.095 -0.247 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.642 8.437 -1.536 1.00 0.00 C ATOM 306 NE2 HIS A 19 169.024 8.226 -0.291 1.00 0.00 N ATOM 0 H HIS A 19 169.877 4.499 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 19 171.404 6.761 -3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.854 4.627 -2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 19 171.278 5.032 -1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.256 6.666 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 19 168.021 9.252 -1.877 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.782 8.810 0.510 1.00 0.00 H new ATOM 315 N VAL A 20 172.940 3.840 -3.347 1.00 0.00 N ATOM 316 CA VAL A 20 174.250 3.209 -3.245 1.00 0.00 C ATOM 317 C VAL A 20 175.103 3.499 -4.475 1.00 0.00 C ATOM 318 O VAL A 20 176.251 3.928 -4.359 1.00 0.00 O ATOM 319 CB VAL A 20 174.126 1.683 -3.069 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.490 1.056 -2.826 1.00 0.00 C ATOM 321 CG2 VAL A 20 173.171 1.352 -1.932 1.00 0.00 C ATOM 0 H VAL A 20 172.171 3.191 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 20 174.734 3.633 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 20 173.720 1.265 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.379 -0.021 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.141 1.260 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.929 1.479 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 20 173.096 0.270 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.545 1.785 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 20 172.186 1.763 -2.153 1.00 0.00 H new ATOM 331 N ALA A 21 174.537 3.261 -5.654 1.00 0.00 N ATOM 332 CA ALA A 21 175.248 3.497 -6.905 1.00 0.00 C ATOM 333 C ALA A 21 175.729 4.942 -7.004 1.00 0.00 C ATOM 334 O ALA A 21 176.856 5.204 -7.423 1.00 0.00 O ATOM 335 CB ALA A 21 174.360 3.153 -8.090 1.00 0.00 C ATOM 0 H ALA A 21 173.588 2.905 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 21 176.125 2.850 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.904 3.334 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.073 2.103 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.465 3.775 -8.067 1.00 0.00 H new ATOM 341 N ASP A 22 174.864 5.873 -6.615 1.00 0.00 N ATOM 342 CA ASP A 22 175.199 7.292 -6.659 1.00 0.00 C ATOM 343 C ASP A 22 176.404 7.595 -5.772 1.00 0.00 C ATOM 344 O ASP A 22 177.367 8.224 -6.209 1.00 0.00 O ATOM 345 CB ASP A 22 174.001 8.133 -6.218 1.00 0.00 C ATOM 346 CG ASP A 22 174.268 9.622 -6.327 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.952 10.034 -7.288 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.794 10.377 -5.452 1.00 0.00 O ATOM 0 H ASP A 22 173.927 5.671 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 22 175.455 7.548 -7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.136 7.876 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.748 7.887 -5.187 1.00 0.00 H new ATOM 353 N ARG A 23 176.338 7.147 -4.523 1.00 0.00 N ATOM 354 CA ARG A 23 177.421 7.372 -3.573 1.00 0.00 C ATOM 355 C ARG A 23 178.666 6.585 -3.966 1.00 0.00 C ATOM 356 O ARG A 23 179.770 7.126 -3.997 1.00 0.00 O ATOM 357 CB ARG A 23 176.976 6.982 -2.162 1.00 0.00 C ATOM 358 CG ARG A 23 176.833 8.167 -1.222 1.00 0.00 C ATOM 359 CD ARG A 23 175.464 8.819 -1.348 1.00 0.00 C ATOM 360 NE ARG A 23 175.563 10.233 -1.702 1.00 0.00 N ATOM 361 CZ ARG A 23 175.831 11.200 -0.827 1.00 0.00 C ATOM 362 NH1 ARG A 23 176.029 10.912 0.453 1.00 0.00 N ATOM 363 NH2 ARG A 23 175.901 12.461 -1.233 1.00 0.00 N ATOM 0 H ARG A 23 175.546 6.626 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 23 177.670 8.433 -3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.022 6.459 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 23 177.698 6.281 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 23 176.987 7.838 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 23 177.608 8.901 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 23 174.881 8.295 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 23 174.926 8.718 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 23 175.418 10.495 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 23 175.976 9.945 0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 23 176.234 11.658 1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 23 175.749 12.690 -2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 23 176.106 13.202 -0.563 1.00 0.00 H new ATOM 377 N LEU A 24 178.480 5.302 -4.267 1.00 0.00 N ATOM 378 CA LEU A 24 179.591 4.440 -4.658 1.00 0.00 C ATOM 379 C LEU A 24 180.358 5.037 -5.834 1.00 0.00 C ATOM 380 O LEU A 24 181.560 4.818 -5.980 1.00 0.00 O ATOM 381 CB LEU A 24 179.079 3.045 -5.023 1.00 0.00 C ATOM 382 CG LEU A 24 180.144 1.946 -5.031 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.916 1.939 -3.722 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.505 0.589 -5.283 1.00 0.00 C ATOM 0 H LEU A 24 177.572 4.838 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 24 180.270 4.360 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.296 2.766 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.618 3.090 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 24 180.845 2.152 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.668 1.151 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.405 2.903 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 24 180.229 1.758 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.276 -0.181 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.782 0.376 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.999 0.599 -6.248 1.00 0.00 H new ATOM 396 N ALA A 25 179.654 5.798 -6.668 1.00 0.00 N ATOM 397 CA ALA A 25 180.270 6.431 -7.826 1.00 0.00 C ATOM 398 C ALA A 25 181.156 7.596 -7.400 1.00 0.00 C ATOM 399 O ALA A 25 182.335 7.653 -7.750 1.00 0.00 O ATOM 400 CB ALA A 25 179.201 6.905 -8.800 1.00 0.00 C ATOM 0 H ALA A 25 178.658 5.990 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 25 180.897 5.693 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.676 7.376 -9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.609 6.053 -9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.551 7.626 -8.304 1.00 0.00 H new ATOM 406 N LYS A 26 180.581 8.522 -6.639 1.00 0.00 N ATOM 407 CA LYS A 26 181.319 9.684 -6.160 1.00 0.00 C ATOM 408 C LYS A 26 182.431 9.264 -5.203 1.00 0.00 C ATOM 409 O LYS A 26 183.472 9.916 -5.122 1.00 0.00 O ATOM 410 CB LYS A 26 180.372 10.665 -5.466 1.00 0.00 C ATOM 411 CG LYS A 26 181.043 11.959 -5.039 1.00 0.00 C ATOM 412 CD LYS A 26 180.410 12.529 -3.779 1.00 0.00 C ATOM 413 CE LYS A 26 179.499 13.705 -4.092 1.00 0.00 C ATOM 414 NZ LYS A 26 178.148 13.538 -3.485 1.00 0.00 N ATOM 0 H LYS A 26 179.606 8.490 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 26 181.772 10.177 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.547 10.898 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.941 10.182 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 26 182.104 11.779 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 26 180.972 12.689 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 26 179.839 11.750 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 26 181.193 12.848 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 26 179.952 14.624 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 26 179.401 13.811 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 177.557 14.360 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 177.704 12.674 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 178.239 13.462 -2.452 1.00 0.00 H new ATOM 428 N LEU A 27 182.204 8.167 -4.485 1.00 0.00 N ATOM 429 CA LEU A 27 183.187 7.648 -3.536 1.00 0.00 C ATOM 430 C LEU A 27 184.551 7.491 -4.208 1.00 0.00 C ATOM 431 O LEU A 27 185.592 7.634 -3.572 1.00 0.00 O ATOM 432 CB LEU A 27 182.715 6.295 -2.984 1.00 0.00 C ATOM 433 CG LEU A 27 183.331 5.829 -1.649 1.00 0.00 C ATOM 434 CD1 LEU A 27 184.448 6.747 -1.174 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.258 5.720 -0.579 1.00 0.00 C ATOM 0 H LEU A 27 181.346 7.619 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 27 183.286 8.357 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.633 6.339 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.920 5.533 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 27 183.769 4.847 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 27 184.848 6.375 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 27 185.242 6.771 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 27 184.055 7.754 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.709 5.390 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 27 181.790 6.693 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 27 181.504 4.998 -0.892 1.00 0.00 H new ATOM 447 N GLU A 28 184.532 7.198 -5.503 1.00 0.00 N ATOM 448 CA GLU A 28 185.762 7.018 -6.266 1.00 0.00 C ATOM 449 C GLU A 28 186.674 8.240 -6.159 1.00 0.00 C ATOM 450 O GLU A 28 187.876 8.148 -6.409 1.00 0.00 O ATOM 451 CB GLU A 28 185.435 6.740 -7.734 1.00 0.00 C ATOM 452 CG GLU A 28 185.062 5.292 -8.011 1.00 0.00 C ATOM 453 CD GLU A 28 184.963 4.989 -9.494 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.751 5.935 -10.279 1.00 0.00 O ATOM 455 OE2 GLU A 28 185.098 3.805 -9.866 1.00 0.00 O ATOM 0 H GLU A 28 183.678 7.080 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 28 186.292 6.164 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.611 7.384 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 28 186.296 7.008 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 28 185.806 4.636 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 28 184.108 5.069 -7.534 1.00 0.00 H new ATOM 462 N LYS A 29 186.100 9.386 -5.797 1.00 0.00 N ATOM 463 CA LYS A 29 186.877 10.617 -5.673 1.00 0.00 C ATOM 464 C LYS A 29 187.177 10.958 -4.213 1.00 0.00 C ATOM 465 O LYS A 29 187.588 12.076 -3.905 1.00 0.00 O ATOM 466 CB LYS A 29 186.135 11.780 -6.334 1.00 0.00 C ATOM 467 CG LYS A 29 186.968 13.045 -6.448 1.00 0.00 C ATOM 468 CD LYS A 29 186.816 13.696 -7.814 1.00 0.00 C ATOM 469 CE LYS A 29 185.414 14.243 -8.017 1.00 0.00 C ATOM 470 NZ LYS A 29 185.073 14.379 -9.459 1.00 0.00 N ATOM 0 H LYS A 29 185.107 9.488 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 29 187.828 10.454 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.813 11.476 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.234 11.998 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 29 186.667 13.750 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 29 188.017 12.807 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 29 187.541 14.503 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 29 187.039 12.967 -8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 184.694 13.582 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 185.330 15.215 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 184.108 14.755 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 185.745 15.029 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 185.128 13.447 -9.918 1.00 0.00 H new ATOM 484 N TRP A 30 186.980 9.995 -3.315 1.00 0.00 N ATOM 485 CA TRP A 30 187.242 10.210 -1.894 1.00 0.00 C ATOM 486 C TRP A 30 188.693 9.872 -1.550 1.00 0.00 C ATOM 487 O TRP A 30 188.964 9.168 -0.579 1.00 0.00 O ATOM 488 CB TRP A 30 186.293 9.354 -1.052 1.00 0.00 C ATOM 489 CG TRP A 30 185.240 10.141 -0.336 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.033 10.536 -0.837 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.294 10.621 1.012 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.333 11.232 0.119 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.087 11.298 1.264 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.249 10.542 2.031 1.00 0.00 C ATOM 495 CZ2 TRP A 30 183.809 11.894 2.492 1.00 0.00 C ATOM 496 CZ3 TRP A 30 185.971 11.133 3.249 1.00 0.00 C ATOM 497 CH2 TRP A 30 184.761 11.799 3.472 1.00 0.00 C ATOM 0 H TRP A 30 186.641 9.061 -3.545 1.00 0.00 H new ATOM 0 HA TRP A 30 187.072 11.263 -1.670 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.809 8.622 -1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 30 186.876 8.796 -0.320 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.680 10.332 -1.837 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.404 11.634 -0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.186 10.029 1.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 182.877 12.412 2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 186.701 11.080 4.043 1.00 0.00 H new ATOM 0 HH2 TRP A 30 184.574 12.247 4.437 1.00 0.00 H new ATOM 508 N GLN A 31 189.625 10.364 -2.360 1.00 0.00 N ATOM 509 CA GLN A 31 191.047 10.103 -2.140 1.00 0.00 C ATOM 510 C GLN A 31 191.331 8.607 -1.958 1.00 0.00 C ATOM 511 O GLN A 31 192.420 8.225 -1.530 1.00 0.00 O ATOM 512 CB GLN A 31 191.542 10.875 -0.916 1.00 0.00 C ATOM 513 CG GLN A 31 191.812 12.346 -1.193 1.00 0.00 C ATOM 514 CD GLN A 31 190.723 13.251 -0.651 1.00 0.00 C ATOM 515 OE1 GLN A 31 189.723 13.507 -1.321 1.00 0.00 O ATOM 516 NE2 GLN A 31 190.915 13.743 0.568 1.00 0.00 N ATOM 0 H GLN A 31 189.424 10.945 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 31 191.582 10.441 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 190.801 10.794 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.456 10.409 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 31 192.767 12.626 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 31 191.904 12.498 -2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 31 191.760 13.504 1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 31 190.218 14.360 0.985 1.00 0.00 H new ATOM 525 N THR A 32 190.350 7.768 -2.285 1.00 0.00 N ATOM 526 CA THR A 32 190.502 6.323 -2.160 1.00 0.00 C ATOM 527 C THR A 32 190.197 5.640 -3.491 1.00 0.00 C ATOM 528 O THR A 32 189.753 6.289 -4.439 1.00 0.00 O ATOM 529 CB THR A 32 189.584 5.793 -1.056 1.00 0.00 C ATOM 530 OG1 THR A 32 189.735 4.393 -0.899 1.00 0.00 O ATOM 531 CG2 THR A 32 188.119 6.079 -1.305 1.00 0.00 C ATOM 0 H THR A 32 189.441 8.066 -2.639 1.00 0.00 H new ATOM 0 HA THR A 32 191.534 6.098 -1.890 1.00 0.00 H new ATOM 0 HB THR A 32 189.889 6.321 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.949 4.029 -0.440 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.525 5.676 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 32 187.965 7.156 -1.370 1.00 0.00 H new ATOM 0 HG23 THR A 32 187.811 5.611 -2.240 1.00 0.00 H new ATOM 539 N HIS A 33 190.455 4.337 -3.572 1.00 0.00 N ATOM 540 CA HIS A 33 190.220 3.592 -4.807 1.00 0.00 C ATOM 541 C HIS A 33 189.106 2.557 -4.658 1.00 0.00 C ATOM 542 O HIS A 33 188.354 2.310 -5.601 1.00 0.00 O ATOM 543 CB HIS A 33 191.508 2.897 -5.251 1.00 0.00 C ATOM 544 CG HIS A 33 192.628 3.844 -5.552 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.131 4.879 -4.837 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.373 3.785 -6.711 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 194.160 5.416 -5.571 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 194.286 4.739 -6.695 1.00 0.00 N flip ATOM 0 H HIS A 33 190.824 3.778 -2.803 1.00 0.00 H new ATOM 0 HA HIS A 33 189.903 4.312 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.827 2.207 -4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 33 191.301 2.299 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.232 3.070 -7.508 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.768 6.258 -5.275 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.972 4.921 -7.428 1.00 0.00 H new ATOM 557 N LEU A 34 189.016 1.940 -3.485 1.00 0.00 N ATOM 558 CA LEU A 34 188.004 0.912 -3.237 1.00 0.00 C ATOM 559 C LEU A 34 188.199 -0.255 -4.192 1.00 0.00 C ATOM 560 O LEU A 34 188.085 -0.101 -5.407 1.00 0.00 O ATOM 561 CB LEU A 34 186.587 1.472 -3.392 1.00 0.00 C ATOM 562 CG LEU A 34 186.278 2.729 -2.579 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.729 2.568 -1.134 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.938 3.937 -3.220 1.00 0.00 C ATOM 0 H LEU A 34 189.628 2.131 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 34 188.125 0.569 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.417 1.692 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.876 0.695 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 34 185.199 2.882 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.498 3.476 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.209 1.723 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.804 2.389 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.713 4.828 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.017 3.787 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.559 4.064 -4.234 1.00 0.00 H new ATOM 576 N ILE A 35 188.505 -1.416 -3.636 1.00 0.00 N ATOM 577 CA ILE A 35 188.732 -2.612 -4.443 1.00 0.00 C ATOM 578 C ILE A 35 187.695 -3.696 -4.165 1.00 0.00 C ATOM 579 O ILE A 35 187.120 -4.267 -5.092 1.00 0.00 O ATOM 580 CB ILE A 35 190.143 -3.194 -4.209 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.620 -2.898 -2.781 1.00 0.00 C ATOM 582 CG2 ILE A 35 191.120 -2.627 -5.230 1.00 0.00 C ATOM 583 CD1 ILE A 35 192.057 -3.291 -2.523 1.00 0.00 C ATOM 0 H ILE A 35 188.603 -1.559 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 35 188.640 -2.297 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 35 190.099 -4.276 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.503 -1.833 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 35 189.977 -3.426 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 35 192.112 -3.044 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 35 190.788 -2.888 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 35 191.160 -1.542 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.321 -3.051 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 192.177 -4.362 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 35 192.711 -2.744 -3.202 1.00 0.00 H new ATOM 595 N ASN A 36 187.464 -3.985 -2.888 1.00 0.00 N ATOM 596 CA ASN A 36 186.500 -5.011 -2.502 1.00 0.00 C ATOM 597 C ASN A 36 185.265 -4.401 -1.838 1.00 0.00 C ATOM 598 O ASN A 36 184.998 -4.643 -0.662 1.00 0.00 O ATOM 599 CB ASN A 36 187.156 -6.021 -1.558 1.00 0.00 C ATOM 600 CG ASN A 36 186.697 -7.441 -1.822 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.699 -7.667 -2.506 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.425 -8.410 -1.279 1.00 0.00 N ATOM 0 H ASN A 36 187.929 -3.525 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 36 186.175 -5.520 -3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 36 188.239 -5.966 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.926 -5.753 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.164 -9.386 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.245 -8.179 -0.719 1.00 0.00 H new ATOM 609 N PRO A 37 184.487 -3.603 -2.591 1.00 0.00 N ATOM 610 CA PRO A 37 183.272 -2.963 -2.071 1.00 0.00 C ATOM 611 C PRO A 37 182.145 -3.966 -1.842 1.00 0.00 C ATOM 612 O PRO A 37 181.699 -4.635 -2.775 1.00 0.00 O ATOM 613 CB PRO A 37 182.890 -1.983 -3.179 1.00 0.00 C ATOM 614 CG PRO A 37 183.438 -2.600 -4.417 1.00 0.00 C ATOM 615 CD PRO A 37 184.724 -3.258 -4.005 1.00 0.00 C ATOM 0 HA PRO A 37 183.440 -2.492 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.809 -1.855 -3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.318 -0.996 -3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.741 -3.327 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.612 -1.848 -5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.934 -4.143 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.575 -2.586 -4.119 1.00 0.00 H new ATOM 623 N HIS A 38 181.689 -4.062 -0.600 1.00 0.00 N ATOM 624 CA HIS A 38 180.611 -4.980 -0.252 1.00 0.00 C ATOM 625 C HIS A 38 179.381 -4.215 0.227 1.00 0.00 C ATOM 626 O HIS A 38 179.498 -3.203 0.919 1.00 0.00 O ATOM 627 CB HIS A 38 181.074 -5.958 0.832 1.00 0.00 C ATOM 628 CG HIS A 38 181.065 -7.390 0.390 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.192 -8.186 0.394 1.00 0.00 N ATOM 630 CD2 HIS A 38 180.057 -8.171 -0.068 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.877 -9.392 -0.044 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.588 -9.409 -0.330 1.00 0.00 N ATOM 0 H HIS A 38 182.048 -3.516 0.183 1.00 0.00 H new ATOM 0 HA HIS A 38 180.342 -5.542 -1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.083 -5.689 1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.430 -5.852 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 38 179.027 -7.874 -0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.558 -10.223 -0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 38 180.071 -10.212 -0.688 1.00 0.00 H new ATOM 641 N ILE A 39 178.202 -4.703 -0.148 1.00 0.00 N ATOM 642 CA ILE A 39 176.952 -4.064 0.243 1.00 0.00 C ATOM 643 C ILE A 39 175.889 -5.105 0.583 1.00 0.00 C ATOM 644 O ILE A 39 175.400 -5.819 -0.292 1.00 0.00 O ATOM 645 CB ILE A 39 176.422 -3.135 -0.873 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.417 -2.003 -1.134 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.059 -2.566 -0.501 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.549 -2.391 -2.060 1.00 0.00 C ATOM 0 H ILE A 39 178.087 -5.538 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 39 177.162 -3.464 1.129 1.00 0.00 H new ATOM 0 HB ILE A 39 176.309 -3.722 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.884 -1.154 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.834 -1.671 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.706 -1.915 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.351 -3.382 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.144 -1.993 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.214 -1.539 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 39 179.107 -3.220 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.142 -2.694 -3.025 1.00 0.00 H new ATOM 660 N ILE A 40 175.535 -5.180 1.861 1.00 0.00 N ATOM 661 CA ILE A 40 174.528 -6.128 2.325 1.00 0.00 C ATOM 662 C ILE A 40 173.293 -5.399 2.841 1.00 0.00 C ATOM 663 O ILE A 40 173.278 -4.913 3.973 1.00 0.00 O ATOM 664 CB ILE A 40 175.079 -7.034 3.446 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.506 -7.484 3.119 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.169 -8.236 3.653 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.076 -8.472 4.112 1.00 0.00 C ATOM 0 H ILE A 40 175.931 -4.594 2.596 1.00 0.00 H new ATOM 0 HA ILE A 40 174.257 -6.747 1.470 1.00 0.00 H new ATOM 0 HB ILE A 40 175.106 -6.461 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.517 -7.933 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.153 -6.608 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.572 -8.865 4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.172 -7.894 3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.110 -8.811 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.089 -8.744 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.099 -8.020 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.452 -9.366 4.135 1.00 0.00 H new ATOM 679 N LEU A 41 172.260 -5.318 2.008 1.00 0.00 N ATOM 680 CA LEU A 41 171.027 -4.641 2.391 1.00 0.00 C ATOM 681 C LEU A 41 169.949 -5.653 2.765 1.00 0.00 C ATOM 682 O LEU A 41 169.304 -6.240 1.897 1.00 0.00 O ATOM 683 CB LEU A 41 170.547 -3.746 1.243 1.00 0.00 C ATOM 684 CG LEU A 41 169.109 -3.226 1.362 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.102 -1.743 1.701 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.345 -3.486 0.072 1.00 0.00 C ATOM 0 H LEU A 41 172.252 -5.711 1.067 1.00 0.00 H new ATOM 0 HA LEU A 41 171.226 -4.021 3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.218 -2.890 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.636 -4.303 0.310 1.00 0.00 H new ATOM 0 HG LEU A 41 168.613 -3.762 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.073 -1.393 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.614 -1.584 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.614 -1.188 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.326 -3.112 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.841 -2.975 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.320 -4.557 -0.127 1.00 0.00 H new ATOM 698 N SER A 42 169.768 -5.858 4.065 1.00 0.00 N ATOM 699 CA SER A 42 168.780 -6.808 4.561 1.00 0.00 C ATOM 700 C SER A 42 167.669 -6.101 5.329 1.00 0.00 C ATOM 701 O SER A 42 167.934 -5.282 6.210 1.00 0.00 O ATOM 702 CB SER A 42 169.460 -7.835 5.465 1.00 0.00 C ATOM 703 OG SER A 42 170.595 -8.399 4.832 1.00 0.00 O ATOM 0 H SER A 42 170.294 -5.378 4.795 1.00 0.00 H new ATOM 0 HA SER A 42 168.333 -7.311 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.759 -7.360 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.753 -8.624 5.721 1.00 0.00 H new ATOM 0 HG SER A 42 171.409 -8.081 5.276 1.00 0.00 H new ATOM 709 N LYS A 43 166.423 -6.430 5.002 1.00 0.00 N ATOM 710 CA LYS A 43 165.275 -5.831 5.676 1.00 0.00 C ATOM 711 C LYS A 43 164.982 -6.565 6.979 1.00 0.00 C ATOM 712 O LYS A 43 164.459 -7.680 6.970 1.00 0.00 O ATOM 713 CB LYS A 43 164.045 -5.866 4.766 1.00 0.00 C ATOM 714 CG LYS A 43 162.885 -5.025 5.277 1.00 0.00 C ATOM 715 CD LYS A 43 161.563 -5.767 5.165 1.00 0.00 C ATOM 716 CE LYS A 43 160.471 -5.084 5.971 1.00 0.00 C ATOM 717 NZ LYS A 43 160.077 -3.777 5.378 1.00 0.00 N ATOM 0 H LYS A 43 166.182 -7.106 4.277 1.00 0.00 H new ATOM 0 HA LYS A 43 165.513 -4.792 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.328 -5.515 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.714 -6.899 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.063 -4.753 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.831 -4.096 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.263 -5.823 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.689 -6.791 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 43 159.599 -5.735 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.817 -4.929 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.330 -3.344 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 160.903 -3.146 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 159.722 -3.927 4.412 1.00 0.00 H new ATOM 731 N GLU A 44 165.334 -5.942 8.101 1.00 0.00 N ATOM 732 CA GLU A 44 165.116 -6.549 9.409 1.00 0.00 C ATOM 733 C GLU A 44 163.856 -5.999 10.078 1.00 0.00 C ATOM 734 O GLU A 44 163.570 -4.804 9.997 1.00 0.00 O ATOM 735 CB GLU A 44 166.332 -6.314 10.310 1.00 0.00 C ATOM 736 CG GLU A 44 167.165 -7.564 10.556 1.00 0.00 C ATOM 737 CD GLU A 44 167.368 -8.396 9.302 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.578 -7.802 8.223 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.314 -9.640 9.400 1.00 0.00 O ATOM 0 H GLU A 44 165.770 -5.020 8.130 1.00 0.00 H new ATOM 0 HA GLU A 44 164.978 -7.620 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.965 -5.550 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.992 -5.921 11.268 1.00 0.00 H new ATOM 0 HG2 GLU A 44 168.137 -7.274 10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.678 -8.175 11.316 1.00 0.00 H new ATOM 746 N PRO A 45 163.087 -6.878 10.751 1.00 0.00 N ATOM 747 CA PRO A 45 161.855 -6.510 11.442 1.00 0.00 C ATOM 748 C PRO A 45 161.910 -5.128 12.083 1.00 0.00 C ATOM 749 O PRO A 45 160.984 -4.330 11.947 1.00 0.00 O ATOM 750 CB PRO A 45 161.734 -7.573 12.537 1.00 0.00 C ATOM 751 CG PRO A 45 162.619 -8.714 12.134 1.00 0.00 C ATOM 752 CD PRO A 45 163.359 -8.315 10.883 1.00 0.00 C ATOM 0 HA PRO A 45 161.016 -6.468 10.748 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.039 -7.170 13.503 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.701 -7.904 12.642 1.00 0.00 H new ATOM 0 HG2 PRO A 45 163.322 -8.951 12.933 1.00 0.00 H new ATOM 0 HG3 PRO A 45 162.026 -9.611 11.955 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.427 -8.512 10.971 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.003 -8.870 10.015 1.00 0.00 H new ATOM 760 N GLN A 46 162.990 -4.866 12.810 1.00 0.00 N ATOM 761 CA GLN A 46 163.152 -3.596 13.506 1.00 0.00 C ATOM 762 C GLN A 46 164.062 -2.632 12.749 1.00 0.00 C ATOM 763 O GLN A 46 164.897 -1.955 13.352 1.00 0.00 O ATOM 764 CB GLN A 46 163.703 -3.847 14.910 1.00 0.00 C ATOM 765 CG GLN A 46 163.259 -2.815 15.934 1.00 0.00 C ATOM 766 CD GLN A 46 161.751 -2.653 15.985 1.00 0.00 C ATOM 767 OE1 GLN A 46 161.237 -1.536 16.049 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.035 -3.771 15.960 1.00 0.00 N ATOM 0 H GLN A 46 163.766 -5.516 12.933 1.00 0.00 H new ATOM 0 HA GLN A 46 162.170 -3.127 13.570 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.387 -4.836 15.243 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.792 -3.858 14.867 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.623 -3.107 16.919 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.716 -1.854 15.697 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.503 -4.676 15.906 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.017 -3.725 15.994 1.00 0.00 H new ATOM 777 N GLY A 47 163.886 -2.549 11.433 1.00 0.00 N ATOM 778 CA GLY A 47 164.692 -1.634 10.645 1.00 0.00 C ATOM 779 C GLY A 47 165.565 -2.317 9.608 1.00 0.00 C ATOM 780 O GLY A 47 165.885 -3.500 9.727 1.00 0.00 O ATOM 0 H GLY A 47 163.206 -3.094 10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.033 -0.927 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.327 -1.056 11.316 1.00 0.00 H new ATOM 784 N PHE A 48 165.958 -1.549 8.594 1.00 0.00 N ATOM 785 CA PHE A 48 166.812 -2.044 7.520 1.00 0.00 C ATOM 786 C PHE A 48 168.236 -2.246 8.025 1.00 0.00 C ATOM 787 O PHE A 48 168.712 -1.483 8.867 1.00 0.00 O ATOM 788 CB PHE A 48 166.823 -1.045 6.358 1.00 0.00 C ATOM 789 CG PHE A 48 166.179 -1.549 5.101 1.00 0.00 C ATOM 790 CD1 PHE A 48 166.413 -2.837 4.649 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.346 -0.723 4.364 1.00 0.00 C ATOM 792 CE1 PHE A 48 165.827 -3.292 3.485 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.755 -1.172 3.199 1.00 0.00 C ATOM 794 CZ PHE A 48 164.997 -2.459 2.757 1.00 0.00 C ATOM 0 H PHE A 48 165.694 -0.569 8.495 1.00 0.00 H new ATOM 0 HA PHE A 48 166.416 -2.999 7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.313 -0.134 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.855 -0.773 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 48 167.061 -3.492 5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.156 0.284 4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 48 166.017 -4.299 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.105 -0.519 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.539 -2.813 1.845 1.00 0.00 H new ATOM 804 N VAL A 49 168.912 -3.265 7.502 1.00 0.00 N ATOM 805 CA VAL A 49 170.286 -3.557 7.895 1.00 0.00 C ATOM 806 C VAL A 49 171.257 -3.257 6.757 1.00 0.00 C ATOM 807 O VAL A 49 171.525 -4.117 5.917 1.00 0.00 O ATOM 808 CB VAL A 49 170.455 -5.029 8.315 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.838 -5.264 8.903 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.372 -5.429 9.304 1.00 0.00 C ATOM 0 H VAL A 49 168.529 -3.903 6.804 1.00 0.00 H new ATOM 0 HA VAL A 49 170.511 -2.916 8.747 1.00 0.00 H new ATOM 0 HB VAL A 49 170.354 -5.654 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.937 -6.310 9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.596 -5.021 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.973 -4.630 9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.507 -6.472 9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.438 -4.799 10.191 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.393 -5.303 8.842 1.00 0.00 H new ATOM 820 N ALA A 50 171.778 -2.036 6.733 1.00 0.00 N ATOM 821 CA ALA A 50 172.716 -1.630 5.693 1.00 0.00 C ATOM 822 C ALA A 50 174.156 -1.894 6.119 1.00 0.00 C ATOM 823 O ALA A 50 174.765 -1.086 6.822 1.00 0.00 O ATOM 824 CB ALA A 50 172.524 -0.160 5.355 1.00 0.00 C ATOM 0 H ALA A 50 171.568 -1.312 7.420 1.00 0.00 H new ATOM 0 HA ALA A 50 172.514 -2.225 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.231 0.130 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.506 0.002 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.697 0.444 6.246 1.00 0.00 H new ATOM 830 N ASP A 51 174.696 -3.031 5.694 1.00 0.00 N ATOM 831 CA ASP A 51 176.064 -3.403 6.032 1.00 0.00 C ATOM 832 C ASP A 51 176.966 -3.342 4.803 1.00 0.00 C ATOM 833 O ASP A 51 177.185 -4.349 4.130 1.00 0.00 O ATOM 834 CB ASP A 51 176.098 -4.812 6.629 1.00 0.00 C ATOM 835 CG ASP A 51 175.326 -4.907 7.931 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.461 -3.990 8.768 1.00 0.00 O ATOM 837 OD2 ASP A 51 174.586 -5.897 8.113 1.00 0.00 O ATOM 0 H ASP A 51 174.206 -3.712 5.114 1.00 0.00 H new ATOM 0 HA ASP A 51 176.434 -2.691 6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.682 -5.518 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.133 -5.106 6.801 1.00 0.00 H new ATOM 842 N ALA A 52 177.490 -2.154 4.516 1.00 0.00 N ATOM 843 CA ALA A 52 178.367 -1.964 3.369 1.00 0.00 C ATOM 844 C ALA A 52 179.829 -1.916 3.799 1.00 0.00 C ATOM 845 O ALA A 52 180.255 -0.987 4.485 1.00 0.00 O ATOM 846 CB ALA A 52 177.993 -0.693 2.622 1.00 0.00 C ATOM 0 H ALA A 52 177.322 -1.310 5.063 1.00 0.00 H new ATOM 0 HA ALA A 52 178.239 -2.815 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.657 -0.564 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 52 176.963 -0.766 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.091 0.163 3.289 1.00 0.00 H new ATOM 852 N THR A 53 180.594 -2.925 3.394 1.00 0.00 N ATOM 853 CA THR A 53 182.009 -2.998 3.740 1.00 0.00 C ATOM 854 C THR A 53 182.881 -2.706 2.522 1.00 0.00 C ATOM 855 O THR A 53 182.945 -3.502 1.586 1.00 0.00 O ATOM 856 CB THR A 53 182.348 -4.379 4.309 1.00 0.00 C ATOM 857 OG1 THR A 53 181.168 -5.102 4.616 1.00 0.00 O ATOM 858 CG2 THR A 53 183.187 -4.318 5.566 1.00 0.00 C ATOM 0 H THR A 53 180.258 -3.703 2.826 1.00 0.00 H new ATOM 0 HA THR A 53 182.212 -2.243 4.499 1.00 0.00 H new ATOM 0 HB THR A 53 182.924 -4.877 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.408 -5.981 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.391 -5.330 5.917 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.128 -3.812 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.647 -3.769 6.337 1.00 0.00 H new ATOM 866 N ILE A 54 183.549 -1.558 2.543 1.00 0.00 N ATOM 867 CA ILE A 54 184.416 -1.156 1.439 1.00 0.00 C ATOM 868 C ILE A 54 185.884 -1.235 1.846 1.00 0.00 C ATOM 869 O ILE A 54 186.280 -0.701 2.882 1.00 0.00 O ATOM 870 CB ILE A 54 184.096 0.274 0.961 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.595 0.554 1.076 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.568 0.471 -0.472 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.198 1.940 0.616 1.00 0.00 C ATOM 0 H ILE A 54 183.508 -0.889 3.312 1.00 0.00 H new ATOM 0 HA ILE A 54 184.230 -1.848 0.618 1.00 0.00 H new ATOM 0 HB ILE A 54 184.627 0.980 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.050 -0.184 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.288 0.423 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.335 1.485 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.645 0.311 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.063 -0.242 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.121 2.065 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.714 2.686 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.473 2.068 -0.431 1.00 0.00 H new ATOM 885 N ASN A 55 186.685 -1.908 1.027 1.00 0.00 N ATOM 886 CA ASN A 55 188.110 -2.065 1.306 1.00 0.00 C ATOM 887 C ASN A 55 188.923 -0.919 0.709 1.00 0.00 C ATOM 888 O ASN A 55 189.172 -0.882 -0.497 1.00 0.00 O ATOM 889 CB ASN A 55 188.613 -3.401 0.758 1.00 0.00 C ATOM 890 CG ASN A 55 190.064 -3.662 1.114 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.959 -2.934 0.687 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.301 -4.704 1.900 1.00 0.00 N ATOM 0 H ASN A 55 186.373 -2.354 0.164 1.00 0.00 H new ATOM 0 HA ASN A 55 188.241 -2.047 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.994 -4.208 1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.500 -3.412 -0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.257 -4.929 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 55 189.527 -5.280 2.230 1.00 0.00 H new ATOM 899 N THR A 56 189.339 0.010 1.566 1.00 0.00 N ATOM 900 CA THR A 56 190.131 1.158 1.134 1.00 0.00 C ATOM 901 C THR A 56 191.624 0.856 1.269 1.00 0.00 C ATOM 902 O THR A 56 192.013 -0.079 1.969 1.00 0.00 O ATOM 903 CB THR A 56 189.763 2.401 1.956 1.00 0.00 C ATOM 904 OG1 THR A 56 190.569 2.498 3.119 1.00 0.00 O ATOM 905 CG2 THR A 56 188.314 2.426 2.398 1.00 0.00 C ATOM 0 H THR A 56 189.140 -0.010 2.566 1.00 0.00 H new ATOM 0 HA THR A 56 189.910 1.356 0.085 1.00 0.00 H new ATOM 0 HB THR A 56 189.935 3.244 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.243 1.869 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.125 3.332 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.666 2.411 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.107 1.553 3.017 1.00 0.00 H new ATOM 913 N PRO A 57 192.490 1.643 0.600 1.00 0.00 N ATOM 914 CA PRO A 57 193.943 1.443 0.657 1.00 0.00 C ATOM 915 C PRO A 57 194.483 1.523 2.082 1.00 0.00 C ATOM 916 O PRO A 57 195.534 0.959 2.388 1.00 0.00 O ATOM 917 CB PRO A 57 194.507 2.586 -0.197 1.00 0.00 C ATOM 918 CG PRO A 57 193.399 3.577 -0.314 1.00 0.00 C ATOM 919 CD PRO A 57 192.127 2.780 -0.258 1.00 0.00 C ATOM 0 HA PRO A 57 194.227 0.454 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.384 3.031 0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.818 2.227 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.439 4.306 0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.470 4.134 -1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.306 3.359 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.811 2.454 -1.249 1.00 0.00 H new ATOM 927 N ASN A 58 193.759 2.222 2.949 1.00 0.00 N ATOM 928 CA ASN A 58 194.168 2.369 4.343 1.00 0.00 C ATOM 929 C ASN A 58 193.499 1.315 5.223 1.00 0.00 C ATOM 930 O ASN A 58 193.990 0.993 6.304 1.00 0.00 O ATOM 931 CB ASN A 58 193.824 3.773 4.853 1.00 0.00 C ATOM 932 CG ASN A 58 192.329 3.996 4.987 1.00 0.00 C ATOM 933 OD1 ASN A 58 191.675 3.399 5.841 1.00 0.00 O ATOM 934 ND2 ASN A 58 191.782 4.859 4.140 1.00 0.00 N ATOM 0 H ASN A 58 192.887 2.696 2.713 1.00 0.00 H new ATOM 0 HA ASN A 58 195.247 2.226 4.395 1.00 0.00 H new ATOM 0 HB2 ASN A 58 194.299 3.930 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 58 194.238 4.515 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 58 190.781 5.050 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 58 192.363 5.332 3.447 1.00 0.00 H new ATOM 941 N GLY A 59 192.377 0.782 4.750 1.00 0.00 N ATOM 942 CA GLY A 59 191.656 -0.227 5.504 1.00 0.00 C ATOM 943 C GLY A 59 190.222 -0.378 5.037 1.00 0.00 C ATOM 944 O GLY A 59 189.740 0.416 4.230 1.00 0.00 O ATOM 0 H GLY A 59 191.954 1.031 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.169 -1.184 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.666 0.037 6.562 1.00 0.00 H new ATOM 948 N VAL A 60 189.538 -1.398 5.543 1.00 0.00 N ATOM 949 CA VAL A 60 188.152 -1.644 5.166 1.00 0.00 C ATOM 950 C VAL A 60 187.192 -0.911 6.098 1.00 0.00 C ATOM 951 O VAL A 60 187.197 -1.131 7.310 1.00 0.00 O ATOM 952 CB VAL A 60 187.819 -3.147 5.179 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.467 -3.399 4.529 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.911 -3.943 4.479 1.00 0.00 C ATOM 0 H VAL A 60 189.919 -2.066 6.213 1.00 0.00 H new ATOM 0 HA VAL A 60 188.030 -1.266 4.151 1.00 0.00 H new ATOM 0 HB VAL A 60 187.767 -3.480 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.248 -4.467 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.694 -2.861 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.489 -3.051 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.658 -5.003 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.998 -3.610 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.860 -3.787 4.992 1.00 0.00 H new ATOM 964 N LEU A 61 186.371 -0.038 5.525 1.00 0.00 N ATOM 965 CA LEU A 61 185.405 0.731 6.303 1.00 0.00 C ATOM 966 C LEU A 61 184.032 0.070 6.273 1.00 0.00 C ATOM 967 O LEU A 61 183.465 -0.161 5.205 1.00 0.00 O ATOM 968 CB LEU A 61 185.310 2.159 5.767 1.00 0.00 C ATOM 969 CG LEU A 61 186.434 3.098 6.222 1.00 0.00 C ATOM 970 CD1 LEU A 61 187.247 3.579 5.029 1.00 0.00 C ATOM 971 CD2 LEU A 61 185.869 4.281 6.999 1.00 0.00 C ATOM 0 H LEU A 61 186.355 0.155 4.524 1.00 0.00 H new ATOM 0 HA LEU A 61 185.749 0.761 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.306 2.123 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.355 2.584 6.075 1.00 0.00 H new ATOM 0 HG LEU A 61 187.095 2.540 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 188.039 4.244 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 61 187.688 2.722 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 61 186.597 4.116 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.684 4.934 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.181 4.839 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 61 185.337 3.918 7.878 1.00 0.00 H new ATOM 983 N VAL A 62 183.502 -0.235 7.453 1.00 0.00 N ATOM 984 CA VAL A 62 182.197 -0.873 7.565 1.00 0.00 C ATOM 985 C VAL A 62 181.089 0.160 7.733 1.00 0.00 C ATOM 986 O VAL A 62 180.902 0.711 8.818 1.00 0.00 O ATOM 987 CB VAL A 62 182.152 -1.856 8.751 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.835 -2.617 8.770 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.329 -2.818 8.694 1.00 0.00 C ATOM 0 H VAL A 62 183.958 -0.050 8.346 1.00 0.00 H new ATOM 0 HA VAL A 62 182.036 -1.424 6.639 1.00 0.00 H new ATOM 0 HB VAL A 62 182.225 -1.281 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.825 -3.305 9.615 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.009 -1.912 8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.726 -3.180 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.280 -3.504 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.291 -3.385 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.261 -2.255 8.737 1.00 0.00 H new ATOM 999 N ALA A 63 180.355 0.415 6.655 1.00 0.00 N ATOM 1000 CA ALA A 63 179.264 1.380 6.687 1.00 0.00 C ATOM 1001 C ALA A 63 177.984 0.728 7.200 1.00 0.00 C ATOM 1002 O ALA A 63 177.188 0.201 6.423 1.00 0.00 O ATOM 1003 CB ALA A 63 179.041 1.971 5.303 1.00 0.00 C ATOM 0 H ALA A 63 180.496 -0.033 5.750 1.00 0.00 H new ATOM 0 HA ALA A 63 179.536 2.185 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.223 2.690 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.950 2.473 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.790 1.174 4.603 1.00 0.00 H new ATOM 1009 N SER A 64 177.797 0.760 8.515 1.00 0.00 N ATOM 1010 CA SER A 64 176.619 0.166 9.134 1.00 0.00 C ATOM 1011 C SER A 64 175.515 1.201 9.323 1.00 0.00 C ATOM 1012 O SER A 64 175.758 2.302 9.816 1.00 0.00 O ATOM 1013 CB SER A 64 176.984 -0.463 10.480 1.00 0.00 C ATOM 1014 OG SER A 64 178.389 -0.576 10.629 1.00 0.00 O ATOM 0 H SER A 64 178.447 1.191 9.173 1.00 0.00 H new ATOM 0 HA SER A 64 176.247 -0.612 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.577 0.143 11.290 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.527 -1.449 10.559 1.00 0.00 H new ATOM 0 HG SER A 64 178.594 -0.979 11.498 1.00 0.00 H new ATOM 1020 N GLY A 65 174.300 0.834 8.930 1.00 0.00 N ATOM 1021 CA GLY A 65 173.169 1.732 9.064 1.00 0.00 C ATOM 1022 C GLY A 65 171.871 0.984 9.295 1.00 0.00 C ATOM 1023 O GLY A 65 171.482 0.142 8.485 1.00 0.00 O ATOM 0 H GLY A 65 174.078 -0.073 8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.346 2.415 9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.081 2.340 8.164 1.00 0.00 H new ATOM 1027 N LYS A 66 171.201 1.284 10.402 1.00 0.00 N ATOM 1028 CA LYS A 66 169.941 0.624 10.730 1.00 0.00 C ATOM 1029 C LYS A 66 168.799 1.628 10.831 1.00 0.00 C ATOM 1030 O LYS A 66 168.884 2.608 11.571 1.00 0.00 O ATOM 1031 CB LYS A 66 170.070 -0.160 12.038 1.00 0.00 C ATOM 1032 CG LYS A 66 170.675 0.643 13.182 1.00 0.00 C ATOM 1033 CD LYS A 66 171.845 -0.087 13.824 1.00 0.00 C ATOM 1034 CE LYS A 66 173.020 0.845 14.068 1.00 0.00 C ATOM 1035 NZ LYS A 66 173.713 1.209 12.801 1.00 0.00 N ATOM 0 H LYS A 66 171.507 1.977 11.085 1.00 0.00 H new ATOM 0 HA LYS A 66 169.711 -0.071 9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.083 -0.513 12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.685 -1.043 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.010 1.611 12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.911 0.838 13.934 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.526 -0.526 14.769 1.00 0.00 H new ATOM 0 HD3 LYS A 66 172.159 -0.909 13.180 1.00 0.00 H new ATOM 0 HE2 LYS A 66 172.668 1.751 14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 66 173.728 0.367 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 174.742 1.153 12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 173.429 0.550 12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 173.453 2.178 12.529 1.00 0.00 H new ATOM 1049 N HIS A 67 167.726 1.374 10.084 1.00 0.00 N ATOM 1050 CA HIS A 67 166.563 2.258 10.093 1.00 0.00 C ATOM 1051 C HIS A 67 165.457 1.718 9.189 1.00 0.00 C ATOM 1052 O HIS A 67 165.708 1.339 8.047 1.00 0.00 O ATOM 1053 CB HIS A 67 166.957 3.666 9.643 1.00 0.00 C ATOM 1054 CG HIS A 67 166.030 4.733 10.137 1.00 0.00 C ATOM 1055 ND1 HIS A 67 164.949 5.304 9.556 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 166.164 5.337 11.369 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 164.454 6.233 10.440 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 165.204 6.231 11.526 1.00 0.00 N flip ATOM 0 H HIS A 67 167.638 0.566 9.467 1.00 0.00 H new ATOM 0 HA HIS A 67 166.186 2.302 11.115 1.00 0.00 H new ATOM 0 HB2 HIS A 67 167.966 3.882 9.994 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.985 3.696 8.554 1.00 0.00 H new ATOM 0 HD2 HIS A 67 166.934 5.114 12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 67 163.592 6.862 10.273 1.00 0.00 H new ATOM 0 HE2 HIS A 67 165.066 6.820 12.347 1.00 0.00 H new ATOM 1067 N GLU A 68 164.232 1.684 9.710 1.00 0.00 N ATOM 1068 CA GLU A 68 163.082 1.183 8.956 1.00 0.00 C ATOM 1069 C GLU A 68 163.050 1.747 7.537 1.00 0.00 C ATOM 1070 O GLU A 68 162.903 1.002 6.569 1.00 0.00 O ATOM 1071 CB GLU A 68 161.781 1.530 9.680 1.00 0.00 C ATOM 1072 CG GLU A 68 160.599 0.678 9.247 1.00 0.00 C ATOM 1073 CD GLU A 68 160.831 -0.802 9.481 1.00 0.00 C ATOM 1074 OE1 GLU A 68 161.550 -1.425 8.672 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.293 -1.337 10.473 1.00 0.00 O ATOM 0 H GLU A 68 164.009 1.998 10.654 1.00 0.00 H new ATOM 0 HA GLU A 68 163.181 0.100 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.930 1.412 10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.546 2.580 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 68 159.709 0.993 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.401 0.848 8.189 1.00 0.00 H new ATOM 1082 N ASP A 69 163.185 3.062 7.421 1.00 0.00 N ATOM 1083 CA ASP A 69 163.168 3.714 6.117 1.00 0.00 C ATOM 1084 C ASP A 69 164.333 3.240 5.257 1.00 0.00 C ATOM 1085 O ASP A 69 165.445 3.046 5.752 1.00 0.00 O ATOM 1086 CB ASP A 69 163.221 5.235 6.282 1.00 0.00 C ATOM 1087 CG ASP A 69 162.169 5.943 5.451 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.001 6.001 5.894 1.00 0.00 O ATOM 1089 OD2 ASP A 69 162.511 6.438 4.357 1.00 0.00 O ATOM 0 H ASP A 69 163.307 3.696 8.210 1.00 0.00 H new ATOM 0 HA ASP A 69 162.239 3.444 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.082 5.489 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 69 164.209 5.595 5.996 1.00 0.00 H new ATOM 1094 N MET A 70 164.073 3.050 3.967 1.00 0.00 N ATOM 1095 CA MET A 70 165.103 2.594 3.042 1.00 0.00 C ATOM 1096 C MET A 70 166.172 3.671 2.850 1.00 0.00 C ATOM 1097 O MET A 70 167.359 3.419 3.053 1.00 0.00 O ATOM 1098 CB MET A 70 164.457 2.173 1.703 1.00 0.00 C ATOM 1099 CG MET A 70 164.892 2.969 0.473 1.00 0.00 C ATOM 1100 SD MET A 70 163.730 4.282 0.048 1.00 0.00 S ATOM 1101 CE MET A 70 162.235 3.335 -0.228 1.00 0.00 C ATOM 0 H MET A 70 163.160 3.205 3.540 1.00 0.00 H new ATOM 0 HA MET A 70 165.603 1.721 3.461 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.681 1.121 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.375 2.256 1.802 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.875 3.404 0.655 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.995 2.292 -0.375 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.640 3.813 -1.006 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.497 2.325 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 70 161.657 3.290 0.695 1.00 0.00 H new ATOM 1111 N TYR A 71 165.745 4.866 2.462 1.00 0.00 N ATOM 1112 CA TYR A 71 166.675 5.972 2.248 1.00 0.00 C ATOM 1113 C TYR A 71 167.347 6.374 3.553 1.00 0.00 C ATOM 1114 O TYR A 71 168.567 6.534 3.605 1.00 0.00 O ATOM 1115 CB TYR A 71 165.953 7.174 1.627 1.00 0.00 C ATOM 1116 CG TYR A 71 165.956 7.194 0.108 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.620 6.219 -0.632 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.295 8.200 -0.587 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.623 6.245 -2.009 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.293 8.232 -1.968 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.959 7.253 -2.675 1.00 0.00 C ATOM 1122 OH TYR A 71 165.961 7.282 -4.051 1.00 0.00 O ATOM 0 H TYR A 71 164.766 5.095 2.289 1.00 0.00 H new ATOM 0 HA TYR A 71 167.446 5.635 1.555 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.920 7.182 1.976 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.419 8.090 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.143 5.427 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.774 8.970 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 71 167.143 5.479 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.772 9.020 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 71 165.447 8.056 -4.363 1.00 0.00 H new ATOM 1132 N THR A 72 166.555 6.526 4.609 1.00 0.00 N ATOM 1133 CA THR A 72 167.099 6.894 5.909 1.00 0.00 C ATOM 1134 C THR A 72 168.155 5.881 6.342 1.00 0.00 C ATOM 1135 O THR A 72 169.102 6.219 7.052 1.00 0.00 O ATOM 1136 CB THR A 72 165.990 6.978 6.957 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.855 7.643 6.432 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.408 7.710 8.213 1.00 0.00 C ATOM 0 H THR A 72 165.543 6.401 4.590 1.00 0.00 H new ATOM 0 HA THR A 72 167.563 7.876 5.821 1.00 0.00 H new ATOM 0 HB THR A 72 165.759 5.945 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.155 7.686 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.574 7.733 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.253 7.195 8.670 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.698 8.730 7.960 1.00 0.00 H new ATOM 1146 N ALA A 73 167.991 4.639 5.888 1.00 0.00 N ATOM 1147 CA ALA A 73 168.936 3.581 6.210 1.00 0.00 C ATOM 1148 C ALA A 73 170.298 3.888 5.600 1.00 0.00 C ATOM 1149 O ALA A 73 171.301 3.976 6.308 1.00 0.00 O ATOM 1150 CB ALA A 73 168.418 2.237 5.718 1.00 0.00 C ATOM 0 H ALA A 73 167.213 4.345 5.298 1.00 0.00 H new ATOM 0 HA ALA A 73 169.046 3.528 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.137 1.457 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.464 2.017 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.282 2.273 4.637 1.00 0.00 H new ATOM 1156 N ILE A 74 170.323 4.071 4.281 1.00 0.00 N ATOM 1157 CA ILE A 74 171.571 4.393 3.587 1.00 0.00 C ATOM 1158 C ILE A 74 172.143 5.707 4.113 1.00 0.00 C ATOM 1159 O ILE A 74 173.350 5.941 4.052 1.00 0.00 O ATOM 1160 CB ILE A 74 171.422 4.503 2.040 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.965 4.342 1.577 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.313 3.480 1.348 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.484 2.906 1.529 1.00 0.00 C ATOM 0 H ILE A 74 169.504 4.003 3.676 1.00 0.00 H new ATOM 0 HA ILE A 74 172.243 3.559 3.791 1.00 0.00 H new ATOM 0 HB ILE A 74 171.739 5.507 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.318 4.908 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.860 4.782 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 74 172.198 3.569 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.353 3.661 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.026 2.476 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.447 2.881 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.104 2.337 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.554 2.465 2.524 1.00 0.00 H new ATOM 1175 N ASN A 75 171.264 6.564 4.630 1.00 0.00 N ATOM 1176 CA ASN A 75 171.676 7.855 5.168 1.00 0.00 C ATOM 1177 C ASN A 75 172.560 7.678 6.398 1.00 0.00 C ATOM 1178 O ASN A 75 173.664 8.216 6.462 1.00 0.00 O ATOM 1179 CB ASN A 75 170.447 8.697 5.521 1.00 0.00 C ATOM 1180 CG ASN A 75 170.067 9.659 4.413 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.451 10.829 4.432 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.307 9.171 3.440 1.00 0.00 N ATOM 0 H ASN A 75 170.261 6.385 4.687 1.00 0.00 H new ATOM 0 HA ASN A 75 172.255 8.372 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.605 8.037 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.645 9.259 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.018 9.772 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.012 8.195 3.464 1.00 0.00 H new ATOM 1189 N GLU A 76 172.069 6.922 7.375 1.00 0.00 N ATOM 1190 CA GLU A 76 172.825 6.677 8.599 1.00 0.00 C ATOM 1191 C GLU A 76 174.082 5.865 8.303 1.00 0.00 C ATOM 1192 O GLU A 76 175.138 6.094 8.895 1.00 0.00 O ATOM 1193 CB GLU A 76 171.956 5.942 9.622 1.00 0.00 C ATOM 1194 CG GLU A 76 171.194 6.871 10.553 1.00 0.00 C ATOM 1195 CD GLU A 76 172.104 7.842 11.280 1.00 0.00 C ATOM 1196 OE1 GLU A 76 173.320 7.569 11.363 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.599 8.876 11.768 1.00 0.00 O ATOM 0 H GLU A 76 171.155 6.470 7.344 1.00 0.00 H new ATOM 0 HA GLU A 76 173.123 7.640 9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.245 5.308 9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.589 5.284 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 76 170.456 7.431 9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.645 6.277 11.283 1.00 0.00 H new ATOM 1204 N LEU A 77 173.959 4.917 7.380 1.00 0.00 N ATOM 1205 CA LEU A 77 175.080 4.067 6.998 1.00 0.00 C ATOM 1206 C LEU A 77 176.199 4.898 6.370 1.00 0.00 C ATOM 1207 O LEU A 77 177.358 4.806 6.778 1.00 0.00 O ATOM 1208 CB LEU A 77 174.602 2.974 6.027 1.00 0.00 C ATOM 1209 CG LEU A 77 175.581 2.591 4.909 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.420 1.126 4.536 1.00 0.00 C ATOM 1211 CD2 LEU A 77 175.370 3.480 3.691 1.00 0.00 C ATOM 0 H LEU A 77 173.092 4.718 6.882 1.00 0.00 H new ATOM 0 HA LEU A 77 175.479 3.590 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.373 2.078 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 173.670 3.305 5.569 1.00 0.00 H new ATOM 0 HG LEU A 77 176.597 2.741 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.123 0.873 3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.620 0.504 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.402 0.948 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.072 3.196 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.350 3.361 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 77 175.537 4.521 3.967 1.00 0.00 H new ATOM 1223 N ILE A 78 175.847 5.705 5.375 1.00 0.00 N ATOM 1224 CA ILE A 78 176.823 6.543 4.691 1.00 0.00 C ATOM 1225 C ILE A 78 177.474 7.535 5.654 1.00 0.00 C ATOM 1226 O ILE A 78 178.664 7.831 5.547 1.00 0.00 O ATOM 1227 CB ILE A 78 176.178 7.301 3.501 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.195 7.495 2.371 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.605 8.643 3.938 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.545 7.993 2.840 1.00 0.00 C ATOM 0 H ILE A 78 174.893 5.796 5.025 1.00 0.00 H new ATOM 0 HA ILE A 78 177.597 5.883 4.301 1.00 0.00 H new ATOM 0 HB ILE A 78 175.353 6.692 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.329 6.547 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.789 8.202 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.161 9.146 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.841 8.482 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.402 9.262 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.209 8.105 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.425 8.957 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.974 7.276 3.540 1.00 0.00 H new ATOM 1242 N ASN A 79 176.686 8.044 6.595 1.00 0.00 N ATOM 1243 CA ASN A 79 177.185 9.000 7.576 1.00 0.00 C ATOM 1244 C ASN A 79 178.360 8.417 8.355 1.00 0.00 C ATOM 1245 O ASN A 79 179.391 9.069 8.524 1.00 0.00 O ATOM 1246 CB ASN A 79 176.068 9.404 8.538 1.00 0.00 C ATOM 1247 CG ASN A 79 175.230 10.548 8.001 1.00 0.00 C ATOM 1248 OD1 ASN A 79 173.912 10.369 8.002 1.00 0.00 O flip ATOM 1249 ND2 ASN A 79 175.758 11.581 7.589 1.00 0.00 N flip ATOM 0 H ASN A 79 175.699 7.810 6.699 1.00 0.00 H new ATOM 0 HA ASN A 79 177.531 9.885 7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.426 8.544 8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.503 9.693 9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 79 176.773 11.677 7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 79 175.180 12.341 7.230 1.00 0.00 H new ATOM 1256 N LYS A 80 178.195 7.186 8.828 1.00 0.00 N ATOM 1257 CA LYS A 80 179.243 6.513 9.589 1.00 0.00 C ATOM 1258 C LYS A 80 180.491 6.310 8.736 1.00 0.00 C ATOM 1259 O LYS A 80 181.614 6.463 9.214 1.00 0.00 O ATOM 1260 CB LYS A 80 178.739 5.164 10.104 1.00 0.00 C ATOM 1261 CG LYS A 80 179.355 4.750 11.428 1.00 0.00 C ATOM 1262 CD LYS A 80 178.556 3.642 12.094 1.00 0.00 C ATOM 1263 CE LYS A 80 177.204 4.142 12.578 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.107 3.195 12.240 1.00 0.00 N ATOM 0 H LYS A 80 177.347 6.634 8.698 1.00 0.00 H new ATOM 0 HA LYS A 80 179.505 7.145 10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.656 5.209 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.951 4.398 9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 80 180.379 4.413 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.406 5.613 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 80 178.411 2.823 11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.120 3.242 12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.237 4.289 13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 176.995 5.114 12.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 175.240 3.474 12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.934 3.215 11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.379 2.233 12.526 1.00 0.00 H new ATOM 1278 N LEU A 81 180.284 5.960 7.470 1.00 0.00 N ATOM 1279 CA LEU A 81 181.391 5.730 6.547 1.00 0.00 C ATOM 1280 C LEU A 81 182.255 6.981 6.402 1.00 0.00 C ATOM 1281 O LEU A 81 183.478 6.917 6.529 1.00 0.00 O ATOM 1282 CB LEU A 81 180.855 5.301 5.178 1.00 0.00 C ATOM 1283 CG LEU A 81 181.535 4.072 4.573 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.961 3.767 3.198 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.039 4.285 4.488 1.00 0.00 C ATOM 0 H LEU A 81 179.359 5.829 7.060 1.00 0.00 H new ATOM 0 HA LEU A 81 182.012 4.933 6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.788 5.099 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.963 6.135 4.485 1.00 0.00 H new ATOM 0 HG LEU A 81 181.343 3.217 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.457 2.889 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.892 3.572 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 181.122 4.620 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.508 3.401 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.249 5.151 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.439 4.456 5.487 1.00 0.00 H new ATOM 1297 N GLU A 82 181.614 8.115 6.132 1.00 0.00 N ATOM 1298 CA GLU A 82 182.329 9.378 5.967 1.00 0.00 C ATOM 1299 C GLU A 82 183.163 9.704 7.202 1.00 0.00 C ATOM 1300 O GLU A 82 184.389 9.798 7.128 1.00 0.00 O ATOM 1301 CB GLU A 82 181.343 10.516 5.691 1.00 0.00 C ATOM 1302 CG GLU A 82 180.787 10.512 4.276 1.00 0.00 C ATOM 1303 CD GLU A 82 179.350 10.993 4.211 1.00 0.00 C ATOM 1304 OE1 GLU A 82 178.797 11.362 5.269 1.00 0.00 O ATOM 1305 OE2 GLU A 82 178.777 11.001 3.101 1.00 0.00 O ATOM 0 H GLU A 82 180.602 8.186 6.023 1.00 0.00 H new ATOM 0 HA GLU A 82 183.002 9.272 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.516 10.448 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.840 11.468 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 82 181.408 11.148 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 82 180.847 9.503 3.869 1.00 0.00 H new ATOM 1312 N ARG A 83 182.492 9.871 8.338 1.00 0.00 N ATOM 1313 CA ARG A 83 183.172 10.184 9.594 1.00 0.00 C ATOM 1314 C ARG A 83 184.326 9.213 9.840 1.00 0.00 C ATOM 1315 O ARG A 83 185.408 9.613 10.271 1.00 0.00 O ATOM 1316 CB ARG A 83 182.171 10.143 10.757 1.00 0.00 C ATOM 1317 CG ARG A 83 182.801 9.898 12.122 1.00 0.00 C ATOM 1318 CD ARG A 83 183.920 10.884 12.413 1.00 0.00 C ATOM 1319 NE ARG A 83 185.063 10.237 13.053 1.00 0.00 N ATOM 1320 CZ ARG A 83 185.065 9.813 14.315 1.00 0.00 C ATOM 1321 NH1 ARG A 83 183.991 9.976 15.078 1.00 0.00 N ATOM 1322 NH2 ARG A 83 186.144 9.226 14.815 1.00 0.00 N ATOM 0 H ARG A 83 181.478 9.795 8.416 1.00 0.00 H new ATOM 0 HA ARG A 83 183.587 11.189 9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.627 11.087 10.786 1.00 0.00 H new ATOM 0 HB3 ARG A 83 181.439 9.359 10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.036 9.978 12.895 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.192 8.882 12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 83 184.242 11.353 11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 83 183.545 11.679 13.058 1.00 0.00 H new ATOM 0 HE ARG A 83 185.910 10.102 12.500 1.00 0.00 H new ATOM 0 HH11 ARG A 83 183.159 10.428 14.698 1.00 0.00 H new ATOM 0 HH12 ARG A 83 183.998 9.649 16.044 1.00 0.00 H new ATOM 0 HH21 ARG A 83 186.972 9.100 14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 83 186.146 8.901 15.782 1.00 0.00 H new ATOM 1336 N GLN A 84 184.086 7.937 9.558 1.00 0.00 N ATOM 1337 CA GLN A 84 185.103 6.910 9.744 1.00 0.00 C ATOM 1338 C GLN A 84 186.195 7.032 8.684 1.00 0.00 C ATOM 1339 O GLN A 84 187.350 6.679 8.924 1.00 0.00 O ATOM 1340 CB GLN A 84 184.467 5.520 9.686 1.00 0.00 C ATOM 1341 CG GLN A 84 185.319 4.433 10.320 1.00 0.00 C ATOM 1342 CD GLN A 84 184.997 3.052 9.782 1.00 0.00 C ATOM 1343 OE1 GLN A 84 185.892 2.239 9.554 1.00 0.00 O ATOM 1344 NE2 GLN A 84 183.714 2.780 9.575 1.00 0.00 N ATOM 0 H GLN A 84 183.196 7.590 9.200 1.00 0.00 H new ATOM 0 HA GLN A 84 185.557 7.051 10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.500 5.551 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.277 5.260 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.372 4.652 10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.169 4.442 11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.004 3.484 9.778 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.438 1.867 9.213 1.00 0.00 H new ATOM 1353 N LEU A 85 185.821 7.538 7.513 1.00 0.00 N ATOM 1354 CA LEU A 85 186.770 7.712 6.418 1.00 0.00 C ATOM 1355 C LEU A 85 187.763 8.826 6.736 1.00 0.00 C ATOM 1356 O LEU A 85 188.942 8.736 6.398 1.00 0.00 O ATOM 1357 CB LEU A 85 186.025 8.027 5.117 1.00 0.00 C ATOM 1358 CG LEU A 85 186.216 7.004 3.995 1.00 0.00 C ATOM 1359 CD1 LEU A 85 184.917 6.800 3.230 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.327 7.448 3.054 1.00 0.00 C ATOM 0 H LEU A 85 184.869 7.834 7.298 1.00 0.00 H new ATOM 0 HA LEU A 85 187.324 6.781 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 184.960 8.108 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.351 9.003 4.757 1.00 0.00 H new ATOM 0 HG LEU A 85 186.503 6.052 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 85 185.073 6.069 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.147 6.437 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 85 184.599 7.747 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 85 187.450 6.709 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.068 8.411 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.260 7.542 3.611 1.00 0.00 H new ATOM 1372 N ASN A 86 187.273 9.876 7.386 1.00 0.00 N ATOM 1373 CA ASN A 86 188.112 11.012 7.749 1.00 0.00 C ATOM 1374 C ASN A 86 189.135 10.621 8.812 1.00 0.00 C ATOM 1375 O ASN A 86 190.338 10.816 8.631 1.00 0.00 O ATOM 1376 CB ASN A 86 187.251 12.169 8.255 1.00 0.00 C ATOM 1377 CG ASN A 86 186.385 12.765 7.162 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.888 13.368 6.215 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.073 12.597 7.289 1.00 0.00 N ATOM 0 H ASN A 86 186.298 9.964 7.673 1.00 0.00 H new ATOM 0 HA ASN A 86 188.649 11.331 6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.615 11.817 9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.896 12.945 8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.440 12.975 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.699 12.090 8.091 1.00 0.00 H new ATOM 1386 N LYS A 87 188.651 10.073 9.925 1.00 0.00 N ATOM 1387 CA LYS A 87 189.529 9.662 11.016 1.00 0.00 C ATOM 1388 C LYS A 87 190.615 8.710 10.516 1.00 0.00 C ATOM 1389 O LYS A 87 191.760 8.772 10.962 1.00 0.00 O ATOM 1390 CB LYS A 87 188.718 9.006 12.142 1.00 0.00 C ATOM 1391 CG LYS A 87 188.348 7.554 11.880 1.00 0.00 C ATOM 1392 CD LYS A 87 189.438 6.607 12.361 1.00 0.00 C ATOM 1393 CE LYS A 87 188.884 5.226 12.660 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.955 4.275 13.070 1.00 0.00 N ATOM 0 H LYS A 87 187.659 9.904 10.094 1.00 0.00 H new ATOM 0 HA LYS A 87 190.015 10.554 11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.291 9.062 13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 87 187.804 9.580 12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 87 187.411 7.319 12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.181 7.407 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.216 6.531 11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 87 189.906 7.014 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 87 188.139 5.297 13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.374 4.840 11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 189.536 3.343 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 190.653 4.187 12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.425 4.630 13.927 1.00 0.00 H new ATOM 1408 N LEU A 88 190.246 7.833 9.586 1.00 0.00 N ATOM 1409 CA LEU A 88 191.191 6.874 9.026 1.00 0.00 C ATOM 1410 C LEU A 88 192.014 7.517 7.913 1.00 0.00 C ATOM 1411 O LEU A 88 193.164 7.141 7.683 1.00 0.00 O ATOM 1412 CB LEU A 88 190.450 5.646 8.490 1.00 0.00 C ATOM 1413 CG LEU A 88 190.853 4.313 9.125 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.264 3.150 8.340 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.368 4.189 9.204 1.00 0.00 C ATOM 0 H LEU A 88 189.302 7.767 9.206 1.00 0.00 H new ATOM 0 HA LEU A 88 191.868 6.558 9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.380 5.793 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.615 5.583 7.414 1.00 0.00 H new ATOM 0 HG LEU A 88 190.455 4.284 10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.560 2.210 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.177 3.227 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 88 190.632 3.179 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.632 3.234 9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.790 4.242 8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.769 5.002 9.810 1.00 0.00 H new