USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 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 67 HIS :FLIP no HE2:sc= -2.33 F(o=-6.6,f=-3.8) USER MOD Set 1.2: A 72 THR OG1 : rot 34:sc= -1.44 USER MOD Set 2.1: A 6 THR OG1 : rot -129:sc= -0.746 USER MOD Set 2.2: A 38 HIS : no HE2:sc= -2.27 K(o=-3,f=-3.7) USER MOD Single : A 1 MET CE :methyl -168:sc= -1.45! (180deg=-1.99!) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.627 (180deg=-0.77) USER MOD Single : A 2 THR OG1 : rot 7:sc= 1.07 USER MOD Single : A 3 MET CE :methyl -145:sc= -0.602 (180deg=-3.4!) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.664 F(o=-1.8!,f=-0.66) USER MOD Single : A 7 SER OG : rot -106:sc= 0.31 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.797 F(o=-2,f=-0.8) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -3.66 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS :FLIP no HE2:sc= -5.14! C(o=-6!,f=-5.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -111:sc= -1.06 (180deg=-3.12!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0434 F(o=-0.73,f=-0.043) USER MOD Single : A 32 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 33 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-3.9!) USER MOD Single : A 36 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.1) USER MOD Single : A 42 SER OG : rot 172:sc= -0.936 USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.0235 (180deg=-0.549) USER MOD Single : A 46 GLN : amide:sc=-0.00585 X(o=-0.0058,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00561 USER MOD Single : A 55 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 58 ASN :FLIP amide:sc= 0.883 F(o=-0.029,f=0.88) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 1.19 (180deg=-0.313) USER MOD Single : A 70 MET CE :methyl 159:sc= -1.91 (180deg=-2.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.052 K(o=-0.052,f=-3!) USER MOD Single : A 79 ASN : amide:sc= -0.761 K(o=-0.76,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0359) USER MOD Single : A 84 GLN : amide:sc= -5.57 K(o=-5.6,f=-7.7!) USER MOD Single : A 86 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.222 -1.253 -7.412 1.00 0.00 N ATOM 2 CA MET A 1 184.868 -0.651 -7.543 1.00 0.00 C ATOM 3 C MET A 1 183.917 -1.582 -8.294 1.00 0.00 C ATOM 4 O MET A 1 183.217 -1.161 -9.215 1.00 0.00 O ATOM 5 CB MET A 1 185.000 0.683 -8.284 1.00 0.00 C ATOM 6 CG MET A 1 185.801 1.724 -7.519 1.00 0.00 C ATOM 7 SD MET A 1 187.149 2.432 -8.490 1.00 0.00 S ATOM 8 CE MET A 1 187.918 0.952 -9.144 1.00 0.00 C ATOM 0 H1 MET A 1 186.831 -0.621 -6.854 1.00 0.00 H new ATOM 0 H2 MET A 1 186.148 -2.173 -6.933 1.00 0.00 H new ATOM 0 H3 MET A 1 186.635 -1.387 -8.357 1.00 0.00 H new ATOM 0 HA MET A 1 184.449 -0.491 -6.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 185.475 0.508 -9.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 184.004 1.078 -8.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 185.134 2.524 -7.197 1.00 0.00 H new ATOM 0 HG3 MET A 1 186.210 1.269 -6.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 188.882 1.207 -9.584 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.066 0.233 -8.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 187.275 0.515 -9.907 1.00 0.00 H new ATOM 20 N THR A 2 183.899 -2.852 -7.897 1.00 0.00 N ATOM 21 CA THR A 2 183.033 -3.842 -8.538 1.00 0.00 C ATOM 22 C THR A 2 181.614 -3.817 -7.960 1.00 0.00 C ATOM 23 O THR A 2 180.763 -4.607 -8.366 1.00 0.00 O ATOM 24 CB THR A 2 183.633 -5.246 -8.402 1.00 0.00 C ATOM 25 OG1 THR A 2 182.658 -6.241 -8.669 1.00 0.00 O ATOM 26 CG2 THR A 2 184.217 -5.528 -7.033 1.00 0.00 C ATOM 0 H THR A 2 184.471 -3.220 -7.137 1.00 0.00 H new ATOM 0 HA THR A 2 182.966 -3.581 -9.594 1.00 0.00 H new ATOM 0 HB THR A 2 184.441 -5.279 -9.133 1.00 0.00 H new ATOM 0 HG1 THR A 2 181.835 -5.815 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.623 -6.539 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 2 185.013 -4.813 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.436 -5.434 -6.278 1.00 0.00 H new ATOM 34 N MET A 3 181.362 -2.910 -7.012 1.00 0.00 N ATOM 35 CA MET A 3 180.043 -2.790 -6.387 1.00 0.00 C ATOM 36 C MET A 3 179.475 -4.162 -6.021 1.00 0.00 C ATOM 37 O MET A 3 178.515 -4.632 -6.629 1.00 0.00 O ATOM 38 CB MET A 3 179.074 -2.059 -7.320 1.00 0.00 C ATOM 39 CG MET A 3 179.474 -0.621 -7.609 1.00 0.00 C ATOM 40 SD MET A 3 179.703 0.357 -6.108 1.00 0.00 S ATOM 41 CE MET A 3 178.155 0.053 -5.260 1.00 0.00 C ATOM 0 H MET A 3 182.054 -2.248 -6.661 1.00 0.00 H new ATOM 0 HA MET A 3 180.162 -2.213 -5.470 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.008 -2.605 -8.261 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.079 -2.068 -6.876 1.00 0.00 H new ATOM 0 HG2 MET A 3 180.399 -0.615 -8.186 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.709 -0.153 -8.229 1.00 0.00 H new ATOM 0 HE1 MET A 3 177.853 0.951 -4.721 1.00 0.00 H new ATOM 0 HE2 MET A 3 177.387 -0.209 -5.988 1.00 0.00 H new ATOM 0 HE3 MET A 3 178.282 -0.768 -4.554 1.00 0.00 H new ATOM 51 N ASN A 4 180.080 -4.798 -5.022 1.00 0.00 N ATOM 52 CA ASN A 4 179.641 -6.116 -4.575 1.00 0.00 C ATOM 53 C ASN A 4 178.435 -6.009 -3.644 1.00 0.00 C ATOM 54 O ASN A 4 178.398 -5.156 -2.758 1.00 0.00 O ATOM 55 CB ASN A 4 180.781 -6.840 -3.858 1.00 0.00 C ATOM 56 CG ASN A 4 181.877 -7.286 -4.805 1.00 0.00 C ATOM 57 OD1 ASN A 4 183.109 -6.886 -4.514 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 181.619 -7.984 -5.788 1.00 0.00 N flip ATOM 0 H ASN A 4 180.876 -4.422 -4.507 1.00 0.00 H new ATOM 0 HA ASN A 4 179.348 -6.686 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.206 -6.180 -3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.382 -7.709 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 4 180.657 -8.268 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.367 -8.277 -6.416 1.00 0.00 H new ATOM 65 N ILE A 5 177.457 -6.884 -3.846 1.00 0.00 N ATOM 66 CA ILE A 5 176.251 -6.895 -3.022 1.00 0.00 C ATOM 67 C ILE A 5 176.013 -8.285 -2.437 1.00 0.00 C ATOM 68 O ILE A 5 176.380 -9.290 -3.045 1.00 0.00 O ATOM 69 CB ILE A 5 175.006 -6.468 -3.826 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.369 -5.395 -4.860 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.921 -5.959 -2.888 1.00 0.00 C ATOM 72 CD1 ILE A 5 175.768 -4.070 -4.248 1.00 0.00 C ATOM 0 H ILE A 5 177.474 -7.597 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 5 176.409 -6.177 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 5 174.625 -7.339 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.189 -5.761 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 5 174.517 -5.238 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.048 -5.661 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.641 -6.750 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.296 -5.101 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.011 -3.362 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 5 174.942 -3.680 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 5 176.640 -4.212 -3.609 1.00 0.00 H new ATOM 84 N THR A 6 175.404 -8.341 -1.254 1.00 0.00 N ATOM 85 CA THR A 6 175.137 -9.622 -0.607 1.00 0.00 C ATOM 86 C THR A 6 173.909 -9.559 0.303 1.00 0.00 C ATOM 87 O THR A 6 173.966 -9.974 1.462 1.00 0.00 O ATOM 88 CB THR A 6 176.357 -10.071 0.201 1.00 0.00 C ATOM 89 OG1 THR A 6 177.528 -9.423 -0.256 1.00 0.00 O ATOM 90 CG2 THR A 6 176.601 -11.563 0.133 1.00 0.00 C ATOM 0 H THR A 6 175.090 -7.524 -0.730 1.00 0.00 H new ATOM 0 HA THR A 6 174.932 -10.347 -1.395 1.00 0.00 H new ATOM 0 HB THR A 6 176.136 -9.801 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 6 178.226 -10.090 -0.426 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.480 -11.815 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.733 -12.092 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.766 -11.858 -0.903 1.00 0.00 H new ATOM 98 N SER A 7 172.797 -9.061 -0.227 1.00 0.00 N ATOM 99 CA SER A 7 171.562 -8.974 0.546 1.00 0.00 C ATOM 100 C SER A 7 171.090 -10.376 0.935 1.00 0.00 C ATOM 101 O SER A 7 171.097 -11.288 0.108 1.00 0.00 O ATOM 102 CB SER A 7 170.484 -8.247 -0.261 1.00 0.00 C ATOM 103 OG SER A 7 170.612 -6.842 -0.128 1.00 0.00 O ATOM 0 H SER A 7 172.725 -8.713 -1.183 1.00 0.00 H new ATOM 0 HA SER A 7 171.751 -8.406 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.562 -8.525 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.497 -8.560 0.079 1.00 0.00 H new ATOM 0 HG SER A 7 169.902 -6.503 0.456 1.00 0.00 H new ATOM 109 N LYS A 8 170.696 -10.549 2.194 1.00 0.00 N ATOM 110 CA LYS A 8 170.242 -11.854 2.677 1.00 0.00 C ATOM 111 C LYS A 8 168.891 -12.239 2.066 1.00 0.00 C ATOM 112 O LYS A 8 168.839 -12.785 0.964 1.00 0.00 O ATOM 113 CB LYS A 8 170.173 -11.864 4.210 1.00 0.00 C ATOM 114 CG LYS A 8 169.674 -13.178 4.792 1.00 0.00 C ATOM 115 CD LYS A 8 168.804 -12.950 6.020 1.00 0.00 C ATOM 116 CE LYS A 8 168.427 -14.262 6.689 1.00 0.00 C ATOM 117 NZ LYS A 8 167.033 -14.236 7.214 1.00 0.00 N ATOM 0 H LYS A 8 170.681 -9.809 2.896 1.00 0.00 H new ATOM 0 HA LYS A 8 170.969 -12.601 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 8 171.164 -11.653 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.517 -11.058 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 8 169.104 -13.719 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.525 -13.805 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.336 -12.318 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 8 167.899 -12.415 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 8 168.530 -15.078 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 8 169.119 -14.465 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 166.814 -15.148 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 166.940 -13.474 7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 166.370 -14.067 6.431 1.00 0.00 H new ATOM 131 N GLN A 9 167.801 -11.965 2.783 1.00 0.00 N ATOM 132 CA GLN A 9 166.466 -12.300 2.297 1.00 0.00 C ATOM 133 C GLN A 9 165.839 -11.125 1.555 1.00 0.00 C ATOM 134 O GLN A 9 165.093 -11.312 0.594 1.00 0.00 O ATOM 135 CB GLN A 9 165.567 -12.724 3.461 1.00 0.00 C ATOM 136 CG GLN A 9 165.494 -11.696 4.580 1.00 0.00 C ATOM 137 CD GLN A 9 164.115 -11.086 4.726 1.00 0.00 C ATOM 138 OE1 GLN A 9 164.064 -9.766 4.850 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 163.107 -11.793 4.726 1.00 0.00 N flip ATOM 0 H GLN A 9 167.817 -11.514 3.698 1.00 0.00 H new ATOM 0 HA GLN A 9 166.563 -13.132 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.561 -12.910 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.934 -13.666 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 9 165.779 -12.168 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 9 166.218 -10.904 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 9 163.194 -12.805 4.628 1.00 0.00 H new ATOM 0 HE22 GLN A 9 162.185 -11.367 4.824 1.00 0.00 H new ATOM 148 N MET A 10 166.142 -9.914 2.007 1.00 0.00 N ATOM 149 CA MET A 10 165.604 -8.712 1.383 1.00 0.00 C ATOM 150 C MET A 10 166.472 -8.276 0.206 1.00 0.00 C ATOM 151 O MET A 10 167.480 -7.594 0.384 1.00 0.00 O ATOM 152 CB MET A 10 165.507 -7.579 2.407 1.00 0.00 C ATOM 153 CG MET A 10 164.346 -6.631 2.156 1.00 0.00 C ATOM 154 SD MET A 10 162.752 -7.360 2.574 1.00 0.00 S ATOM 155 CE MET A 10 161.674 -6.497 1.436 1.00 0.00 C ATOM 0 H MET A 10 166.756 -9.739 2.802 1.00 0.00 H new ATOM 0 HA MET A 10 164.606 -8.942 1.011 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.406 -8.009 3.404 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.437 -7.011 2.398 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.490 -5.723 2.741 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.343 -6.337 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 10 160.649 -6.841 1.574 1.00 0.00 H new ATOM 0 HE2 MET A 10 161.726 -5.425 1.627 1.00 0.00 H new ATOM 0 HE3 MET A 10 161.990 -6.698 0.412 1.00 0.00 H new ATOM 165 N GLU A 11 166.069 -8.674 -0.997 1.00 0.00 N ATOM 166 CA GLU A 11 166.809 -8.326 -2.203 1.00 0.00 C ATOM 167 C GLU A 11 166.901 -6.813 -2.367 1.00 0.00 C ATOM 168 O GLU A 11 166.101 -6.067 -1.801 1.00 0.00 O ATOM 169 CB GLU A 11 166.140 -8.943 -3.432 1.00 0.00 C ATOM 170 CG GLU A 11 164.684 -8.542 -3.599 1.00 0.00 C ATOM 171 CD GLU A 11 163.952 -9.403 -4.608 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.569 -9.778 -5.628 1.00 0.00 O ATOM 173 OE2 GLU A 11 162.761 -9.703 -4.381 1.00 0.00 O ATOM 0 H GLU A 11 165.235 -9.237 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 11 167.819 -8.725 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.694 -8.648 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.203 -10.029 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.180 -8.611 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.632 -7.499 -3.912 1.00 0.00 H new ATOM 180 N ILE A 12 167.882 -6.366 -3.145 1.00 0.00 N ATOM 181 CA ILE A 12 168.079 -4.941 -3.382 1.00 0.00 C ATOM 182 C ILE A 12 167.233 -4.459 -4.554 1.00 0.00 C ATOM 183 O ILE A 12 167.472 -4.834 -5.701 1.00 0.00 O ATOM 184 CB ILE A 12 169.560 -4.602 -3.670 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.495 -5.600 -2.979 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.871 -3.182 -3.220 1.00 0.00 C ATOM 187 CD1 ILE A 12 171.019 -6.677 -3.905 1.00 0.00 C ATOM 0 H ILE A 12 168.552 -6.970 -3.621 1.00 0.00 H new ATOM 0 HA ILE A 12 167.771 -4.432 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 12 169.725 -4.674 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 12 171.338 -5.059 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 12 169.964 -6.070 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.917 -2.955 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.233 -2.482 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.686 -3.091 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.674 -7.348 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.183 -7.243 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 12 171.578 -6.216 -4.719 1.00 0.00 H new ATOM 199 N THR A 13 166.245 -3.618 -4.262 1.00 0.00 N ATOM 200 CA THR A 13 165.371 -3.081 -5.297 1.00 0.00 C ATOM 201 C THR A 13 166.093 -2.001 -6.096 1.00 0.00 C ATOM 202 O THR A 13 167.040 -1.386 -5.607 1.00 0.00 O ATOM 203 CB THR A 13 164.096 -2.507 -4.674 1.00 0.00 C ATOM 204 OG1 THR A 13 164.397 -1.386 -3.865 1.00 0.00 O ATOM 205 CG2 THR A 13 163.345 -3.504 -3.818 1.00 0.00 C ATOM 0 H THR A 13 166.031 -3.295 -3.319 1.00 0.00 H new ATOM 0 HA THR A 13 165.098 -3.893 -5.971 1.00 0.00 H new ATOM 0 HB THR A 13 163.462 -2.229 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.570 -1.031 -3.477 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.452 -3.032 -3.408 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.055 -4.361 -4.427 1.00 0.00 H new ATOM 0 HG23 THR A 13 163.986 -3.839 -3.002 1.00 0.00 H new ATOM 213 N PRO A 14 165.657 -1.752 -7.343 1.00 0.00 N ATOM 214 CA PRO A 14 166.270 -0.740 -8.207 1.00 0.00 C ATOM 215 C PRO A 14 166.392 0.615 -7.517 1.00 0.00 C ATOM 216 O PRO A 14 167.384 1.322 -7.689 1.00 0.00 O ATOM 217 CB PRO A 14 165.317 -0.649 -9.411 1.00 0.00 C ATOM 218 CG PRO A 14 164.091 -1.403 -9.011 1.00 0.00 C ATOM 219 CD PRO A 14 164.540 -2.429 -8.014 1.00 0.00 C ATOM 0 HA PRO A 14 167.289 -1.013 -8.483 1.00 0.00 H new ATOM 0 HB2 PRO A 14 165.080 0.389 -9.646 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.770 -1.082 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 14 163.348 -0.735 -8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 14 163.626 -1.877 -9.875 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.745 -2.691 -7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.857 -3.353 -8.497 1.00 0.00 H new ATOM 227 N ALA A 15 165.376 0.972 -6.738 1.00 0.00 N ATOM 228 CA ALA A 15 165.371 2.243 -6.024 1.00 0.00 C ATOM 229 C ALA A 15 166.430 2.266 -4.928 1.00 0.00 C ATOM 230 O ALA A 15 167.202 3.219 -4.814 1.00 0.00 O ATOM 231 CB ALA A 15 163.995 2.508 -5.431 1.00 0.00 C ATOM 0 H ALA A 15 164.546 0.399 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 15 165.609 3.031 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.005 3.460 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.255 2.546 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.738 1.708 -4.736 1.00 0.00 H new ATOM 237 N ILE A 16 166.461 1.210 -4.122 1.00 0.00 N ATOM 238 CA ILE A 16 167.424 1.110 -3.033 1.00 0.00 C ATOM 239 C ILE A 16 168.855 1.099 -3.562 1.00 0.00 C ATOM 240 O ILE A 16 169.732 1.770 -3.018 1.00 0.00 O ATOM 241 CB ILE A 16 167.187 -0.161 -2.188 1.00 0.00 C ATOM 242 CG1 ILE A 16 165.742 -0.208 -1.687 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.159 -0.217 -1.017 1.00 0.00 C ATOM 244 CD1 ILE A 16 165.288 -1.591 -1.278 1.00 0.00 C ATOM 0 H ILE A 16 165.831 0.412 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 16 167.282 1.988 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 16 167.363 -1.031 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 16 165.639 0.466 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.082 0.165 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 16 167.975 -1.120 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.182 -0.230 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.017 0.659 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 16 164.255 -1.548 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.358 -2.264 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 16 165.924 -1.959 -0.473 1.00 0.00 H new ATOM 256 N ARG A 17 169.086 0.332 -4.623 1.00 0.00 N ATOM 257 CA ARG A 17 170.415 0.237 -5.216 1.00 0.00 C ATOM 258 C ARG A 17 170.844 1.571 -5.826 1.00 0.00 C ATOM 259 O ARG A 17 172.035 1.873 -5.906 1.00 0.00 O ATOM 260 CB ARG A 17 170.449 -0.877 -6.273 1.00 0.00 C ATOM 261 CG ARG A 17 169.816 -0.504 -7.608 1.00 0.00 C ATOM 262 CD ARG A 17 170.603 -1.073 -8.779 1.00 0.00 C ATOM 263 NE ARG A 17 169.867 -2.128 -9.472 1.00 0.00 N ATOM 264 CZ ARG A 17 169.781 -3.383 -9.036 1.00 0.00 C ATOM 265 NH1 ARG A 17 170.377 -3.742 -7.906 1.00 0.00 N ATOM 266 NH2 ARG A 17 169.096 -4.280 -9.730 1.00 0.00 N ATOM 0 H ARG A 17 168.373 -0.230 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 17 171.122 -0.010 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.486 -1.165 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.937 -1.753 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.792 -0.876 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.764 0.581 -7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.837 -0.273 -9.481 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.552 -1.470 -8.419 1.00 0.00 H new ATOM 0 HE ARG A 17 169.391 -1.889 -10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 17 170.904 -3.055 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 17 170.308 -4.705 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 17 168.635 -4.009 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 17 169.030 -5.241 -9.396 1.00 0.00 H new ATOM 280 N GLN A 18 169.868 2.364 -6.257 1.00 0.00 N ATOM 281 CA GLN A 18 170.147 3.662 -6.861 1.00 0.00 C ATOM 282 C GLN A 18 170.754 4.622 -5.840 1.00 0.00 C ATOM 283 O GLN A 18 171.826 5.184 -6.063 1.00 0.00 O ATOM 284 CB GLN A 18 168.868 4.263 -7.448 1.00 0.00 C ATOM 285 CG GLN A 18 169.088 5.004 -8.757 1.00 0.00 C ATOM 286 CD GLN A 18 168.973 6.509 -8.603 1.00 0.00 C ATOM 287 OE1 GLN A 18 167.931 7.096 -8.889 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.050 7.140 -8.151 1.00 0.00 N ATOM 0 H GLN A 18 168.877 2.130 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 18 170.869 3.511 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.143 3.465 -7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.432 4.948 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 18 170.075 4.757 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 18 168.359 4.661 -9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.893 6.612 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.034 8.152 -8.029 1.00 0.00 H new ATOM 297 N HIS A 19 170.059 4.805 -4.722 1.00 0.00 N ATOM 298 CA HIS A 19 170.528 5.697 -3.665 1.00 0.00 C ATOM 299 C HIS A 19 171.918 5.293 -3.184 1.00 0.00 C ATOM 300 O HIS A 19 172.800 6.137 -3.025 1.00 0.00 O ATOM 301 CB HIS A 19 169.544 5.689 -2.493 1.00 0.00 C ATOM 302 CG HIS A 19 169.090 7.056 -2.077 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.040 7.799 -2.490 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 169.737 7.809 -1.119 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.067 8.975 -1.782 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 169.099 8.956 -0.960 1.00 0.00 N flip ATOM 0 H HIS A 19 169.169 4.348 -4.524 1.00 0.00 H new ATOM 0 HA HIS A 19 170.589 6.705 -4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.672 5.094 -2.766 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.012 5.196 -1.641 1.00 0.00 H new ATOM 0 HD1 HIS A 19 167.354 7.535 -3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 19 170.625 7.509 -0.583 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.359 9.784 -1.882 1.00 0.00 H new ATOM 315 N VAL A 20 172.106 3.998 -2.950 1.00 0.00 N ATOM 316 CA VAL A 20 173.389 3.483 -2.485 1.00 0.00 C ATOM 317 C VAL A 20 174.501 3.808 -3.478 1.00 0.00 C ATOM 318 O VAL A 20 175.644 4.049 -3.087 1.00 0.00 O ATOM 319 CB VAL A 20 173.336 1.956 -2.265 1.00 0.00 C ATOM 320 CG1 VAL A 20 174.670 1.437 -1.749 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.212 1.595 -1.305 1.00 0.00 C ATOM 0 H VAL A 20 171.386 3.286 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 20 173.602 3.970 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 20 173.136 1.480 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 20 174.608 0.359 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.452 1.660 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 20 174.906 1.920 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.189 0.515 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.381 2.085 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.260 1.926 -1.719 1.00 0.00 H new ATOM 331 N ALA A 21 174.159 3.813 -4.761 1.00 0.00 N ATOM 332 CA ALA A 21 175.127 4.108 -5.808 1.00 0.00 C ATOM 333 C ALA A 21 175.604 5.554 -5.721 1.00 0.00 C ATOM 334 O ALA A 21 176.800 5.831 -5.816 1.00 0.00 O ATOM 335 CB ALA A 21 174.527 3.829 -7.177 1.00 0.00 C ATOM 0 H ALA A 21 173.218 3.616 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 21 175.990 3.458 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.262 4.054 -7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.242 2.779 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.646 4.454 -7.322 1.00 0.00 H new ATOM 341 N ASP A 22 174.661 6.473 -5.540 1.00 0.00 N ATOM 342 CA ASP A 22 174.985 7.891 -5.439 1.00 0.00 C ATOM 343 C ASP A 22 175.864 8.160 -4.224 1.00 0.00 C ATOM 344 O ASP A 22 176.887 8.840 -4.322 1.00 0.00 O ATOM 345 CB ASP A 22 173.704 8.724 -5.353 1.00 0.00 C ATOM 346 CG ASP A 22 173.893 10.131 -5.881 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.784 10.844 -5.371 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.151 10.523 -6.807 1.00 0.00 O ATOM 0 H ASP A 22 173.666 6.261 -5.460 1.00 0.00 H new ATOM 0 HA ASP A 22 175.536 8.178 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.914 8.230 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.373 8.770 -4.316 1.00 0.00 H new ATOM 353 N ARG A 23 175.464 7.616 -3.078 1.00 0.00 N ATOM 354 CA ARG A 23 176.219 7.793 -1.844 1.00 0.00 C ATOM 355 C ARG A 23 177.634 7.242 -1.993 1.00 0.00 C ATOM 356 O ARG A 23 178.617 7.937 -1.733 1.00 0.00 O ATOM 357 CB ARG A 23 175.505 7.101 -0.682 1.00 0.00 C ATOM 358 CG ARG A 23 174.491 7.988 0.023 1.00 0.00 C ATOM 359 CD ARG A 23 173.462 8.540 -0.951 1.00 0.00 C ATOM 360 NE ARG A 23 172.535 9.465 -0.304 1.00 0.00 N ATOM 361 CZ ARG A 23 172.871 10.684 0.109 1.00 0.00 C ATOM 362 NH1 ARG A 23 174.113 11.127 -0.049 1.00 0.00 N ATOM 363 NH2 ARG A 23 171.965 11.463 0.683 1.00 0.00 N ATOM 0 H ARG A 23 174.622 7.049 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 23 176.285 8.860 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 23 174.999 6.211 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.248 6.766 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 23 173.986 7.417 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 23 175.007 8.812 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 23 173.973 9.051 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 23 172.902 7.715 -1.392 1.00 0.00 H new ATOM 0 HE ARG A 23 171.573 9.158 -0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 23 174.815 10.532 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 23 174.365 12.063 0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 23 171.010 11.128 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 23 172.223 12.398 1.000 1.00 0.00 H new ATOM 377 N LEU A 24 177.728 5.986 -2.421 1.00 0.00 N ATOM 378 CA LEU A 24 179.022 5.341 -2.611 1.00 0.00 C ATOM 379 C LEU A 24 179.797 6.004 -3.748 1.00 0.00 C ATOM 380 O LEU A 24 181.028 5.958 -3.781 1.00 0.00 O ATOM 381 CB LEU A 24 178.837 3.851 -2.901 1.00 0.00 C ATOM 382 CG LEU A 24 179.782 2.923 -2.136 1.00 0.00 C ATOM 383 CD1 LEU A 24 179.116 1.582 -1.864 1.00 0.00 C ATOM 384 CD2 LEU A 24 181.078 2.730 -2.907 1.00 0.00 C ATOM 0 H LEU A 24 176.925 5.397 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 24 179.595 5.453 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.810 3.575 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.974 3.684 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 24 180.017 3.387 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 24 179.805 0.937 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 24 178.216 1.737 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 24 178.849 1.110 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.739 2.067 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 24 180.860 2.290 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 24 181.566 3.695 -3.046 1.00 0.00 H new ATOM 396 N ALA A 25 179.072 6.619 -4.680 1.00 0.00 N ATOM 397 CA ALA A 25 179.694 7.289 -5.817 1.00 0.00 C ATOM 398 C ALA A 25 180.634 8.396 -5.356 1.00 0.00 C ATOM 399 O ALA A 25 181.845 8.319 -5.561 1.00 0.00 O ATOM 400 CB ALA A 25 178.629 7.851 -6.746 1.00 0.00 C ATOM 0 H ALA A 25 178.053 6.667 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 25 180.284 6.552 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.108 8.348 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.000 7.039 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.015 8.569 -6.203 1.00 0.00 H new ATOM 406 N LYS A 26 180.072 9.425 -4.728 1.00 0.00 N ATOM 407 CA LYS A 26 180.869 10.543 -4.236 1.00 0.00 C ATOM 408 C LYS A 26 181.898 10.056 -3.221 1.00 0.00 C ATOM 409 O LYS A 26 182.995 10.605 -3.117 1.00 0.00 O ATOM 410 CB LYS A 26 179.968 11.603 -3.602 1.00 0.00 C ATOM 411 CG LYS A 26 179.390 12.586 -4.605 1.00 0.00 C ATOM 412 CD LYS A 26 178.534 13.640 -3.922 1.00 0.00 C ATOM 413 CE LYS A 26 177.347 14.037 -4.782 1.00 0.00 C ATOM 414 NZ LYS A 26 176.120 14.260 -3.967 1.00 0.00 N ATOM 0 H LYS A 26 179.071 9.507 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 26 181.393 10.989 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.150 11.107 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.539 12.153 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 26 180.200 13.071 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.790 12.048 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.179 13.258 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 26 179.140 14.520 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 26 177.586 14.946 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 26 177.156 13.257 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 175.333 14.529 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 175.876 13.385 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 176.293 15.021 -3.280 1.00 0.00 H new ATOM 428 N LEU A 27 181.531 9.016 -2.480 1.00 0.00 N ATOM 429 CA LEU A 27 182.414 8.437 -1.473 1.00 0.00 C ATOM 430 C LEU A 27 183.722 7.967 -2.109 1.00 0.00 C ATOM 431 O LEU A 27 184.790 8.080 -1.512 1.00 0.00 O ATOM 432 CB LEU A 27 181.702 7.271 -0.768 1.00 0.00 C ATOM 433 CG LEU A 27 182.608 6.232 -0.090 1.00 0.00 C ATOM 434 CD1 LEU A 27 183.186 5.271 -1.118 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.718 6.914 0.699 1.00 0.00 C ATOM 0 H LEU A 27 180.625 8.555 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 27 182.657 9.201 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.032 7.684 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 27 181.080 6.757 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 27 182.002 5.657 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 27 183.825 4.543 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 27 182.374 4.752 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 27 183.774 5.829 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.347 6.158 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.323 7.521 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 27 183.280 7.552 1.467 1.00 0.00 H new ATOM 447 N GLU A 28 183.628 7.442 -3.326 1.00 0.00 N ATOM 448 CA GLU A 28 184.804 6.960 -4.042 1.00 0.00 C ATOM 449 C GLU A 28 185.813 8.090 -4.259 1.00 0.00 C ATOM 450 O GLU A 28 186.987 7.841 -4.529 1.00 0.00 O ATOM 451 CB GLU A 28 184.379 6.341 -5.384 1.00 0.00 C ATOM 452 CG GLU A 28 185.381 6.532 -6.517 1.00 0.00 C ATOM 453 CD GLU A 28 185.260 7.889 -7.180 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.122 8.382 -7.323 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.305 8.463 -7.556 1.00 0.00 O ATOM 0 H GLU A 28 182.751 7.339 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 28 185.291 6.193 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.212 5.273 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 183.425 6.775 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 28 186.392 6.411 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.232 5.752 -7.264 1.00 0.00 H new ATOM 462 N LYS A 29 185.349 9.332 -4.147 1.00 0.00 N ATOM 463 CA LYS A 29 186.214 10.489 -4.339 1.00 0.00 C ATOM 464 C LYS A 29 186.781 10.998 -3.014 1.00 0.00 C ATOM 465 O LYS A 29 187.111 12.177 -2.884 1.00 0.00 O ATOM 466 CB LYS A 29 185.442 11.608 -5.039 1.00 0.00 C ATOM 467 CG LYS A 29 184.786 11.171 -6.339 1.00 0.00 C ATOM 468 CD LYS A 29 184.252 12.360 -7.120 1.00 0.00 C ATOM 469 CE LYS A 29 183.211 13.128 -6.320 1.00 0.00 C ATOM 470 NZ LYS A 29 183.836 14.085 -5.365 1.00 0.00 N ATOM 0 H LYS A 29 184.380 9.561 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 29 187.052 10.177 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.675 11.987 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 29 186.122 12.434 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.509 10.629 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 29 183.971 10.481 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.075 13.025 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 29 183.812 12.015 -8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 182.558 13.672 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 29 182.584 12.425 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 183.677 13.757 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 184.858 14.141 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 183.410 15.026 -5.488 1.00 0.00 H new ATOM 484 N TRP A 30 186.899 10.105 -2.035 1.00 0.00 N ATOM 485 CA TRP A 30 187.435 10.474 -0.728 1.00 0.00 C ATOM 486 C TRP A 30 188.865 9.967 -0.571 1.00 0.00 C ATOM 487 O TRP A 30 189.143 9.097 0.250 1.00 0.00 O ATOM 488 CB TRP A 30 186.554 9.910 0.394 1.00 0.00 C ATOM 489 CG TRP A 30 185.670 10.936 1.032 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.595 11.558 0.464 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.782 11.461 2.361 1.00 0.00 C ATOM 492 NE1 TRP A 30 184.031 12.435 1.358 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.741 12.393 2.530 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.659 11.231 3.427 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.555 13.096 3.718 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.473 11.928 4.604 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.429 12.851 4.743 1.00 0.00 C ATOM 0 H TRP A 30 186.632 9.124 -2.121 1.00 0.00 H new ATOM 0 HA TRP A 30 187.439 11.562 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.935 9.109 -0.009 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.192 9.466 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.240 11.385 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 30 183.216 13.022 1.179 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.467 10.521 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.751 13.808 3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.145 11.758 5.433 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.311 13.380 5.677 1.00 0.00 H new ATOM 508 N GLN A 31 189.774 10.506 -1.379 1.00 0.00 N ATOM 509 CA GLN A 31 191.180 10.102 -1.335 1.00 0.00 C ATOM 510 C GLN A 31 191.337 8.578 -1.375 1.00 0.00 C ATOM 511 O GLN A 31 192.408 8.051 -1.077 1.00 0.00 O ATOM 512 CB GLN A 31 191.848 10.660 -0.077 1.00 0.00 C ATOM 513 CG GLN A 31 192.480 12.027 -0.280 1.00 0.00 C ATOM 514 CD GLN A 31 191.786 13.117 0.514 1.00 0.00 C ATOM 515 OE1 GLN A 31 190.457 13.089 0.521 1.00 0.00 O flip ATOM 516 NE2 GLN A 31 192.435 13.972 1.116 1.00 0.00 N flip ATOM 0 H GLN A 31 189.564 11.224 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 31 191.667 10.511 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.107 10.726 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.614 9.961 0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.530 11.984 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 31 192.453 12.282 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 31 193.454 13.955 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 31 191.954 14.697 1.648 1.00 0.00 H new ATOM 525 N THR A 32 190.267 7.876 -1.743 1.00 0.00 N ATOM 526 CA THR A 32 190.293 6.420 -1.823 1.00 0.00 C ATOM 527 C THR A 32 189.749 5.951 -3.168 1.00 0.00 C ATOM 528 O THR A 32 189.065 6.701 -3.864 1.00 0.00 O ATOM 529 CB THR A 32 189.468 5.813 -0.686 1.00 0.00 C ATOM 530 OG1 THR A 32 189.465 6.665 0.445 1.00 0.00 O ATOM 531 CG2 THR A 32 189.972 4.459 -0.238 1.00 0.00 C ATOM 0 H THR A 32 189.370 8.294 -1.991 1.00 0.00 H new ATOM 0 HA THR A 32 191.327 6.087 -1.728 1.00 0.00 H new ATOM 0 HB THR A 32 188.464 5.694 -1.092 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.887 7.437 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 189.343 4.086 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.938 3.763 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 190.999 4.552 0.115 1.00 0.00 H new ATOM 539 N HIS A 33 190.051 4.709 -3.528 1.00 0.00 N ATOM 540 CA HIS A 33 189.582 4.151 -4.793 1.00 0.00 C ATOM 541 C HIS A 33 188.611 3.000 -4.549 1.00 0.00 C ATOM 542 O HIS A 33 187.644 2.826 -5.289 1.00 0.00 O ATOM 543 CB HIS A 33 190.756 3.677 -5.665 1.00 0.00 C ATOM 544 CG HIS A 33 192.046 3.479 -4.925 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.768 2.304 -4.976 1.00 0.00 N ATOM 546 CD2 HIS A 33 192.752 4.317 -4.129 1.00 0.00 C ATOM 547 CE1 HIS A 33 193.861 2.430 -4.246 1.00 0.00 C ATOM 548 NE2 HIS A 33 193.876 3.641 -3.723 1.00 0.00 N ATOM 0 H HIS A 33 190.615 4.071 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 33 189.060 4.944 -5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 33 190.479 2.738 -6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 33 190.917 4.405 -6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 33 192.481 5.328 -3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.615 1.670 -4.102 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.605 4.015 -3.115 1.00 0.00 H new ATOM 557 N LEU A 34 188.872 2.222 -3.502 1.00 0.00 N ATOM 558 CA LEU A 34 188.016 1.092 -3.157 1.00 0.00 C ATOM 559 C LEU A 34 188.003 0.060 -4.280 1.00 0.00 C ATOM 560 O LEU A 34 187.947 0.412 -5.458 1.00 0.00 O ATOM 561 CB LEU A 34 186.590 1.572 -2.874 1.00 0.00 C ATOM 562 CG LEU A 34 186.461 2.632 -1.775 1.00 0.00 C ATOM 563 CD1 LEU A 34 187.169 2.180 -0.506 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.020 3.964 -2.253 1.00 0.00 C ATOM 0 H LEU A 34 189.669 2.354 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 34 188.419 0.623 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.171 1.975 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.982 0.710 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 34 185.403 2.763 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 34 187.065 2.947 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.724 1.250 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 34 188.226 2.019 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.921 4.706 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.073 3.846 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.468 4.296 -3.132 1.00 0.00 H new ATOM 576 N ILE A 35 188.063 -1.216 -3.913 1.00 0.00 N ATOM 577 CA ILE A 35 188.063 -2.288 -4.906 1.00 0.00 C ATOM 578 C ILE A 35 186.908 -3.263 -4.691 1.00 0.00 C ATOM 579 O ILE A 35 186.187 -3.599 -5.632 1.00 0.00 O ATOM 580 CB ILE A 35 189.390 -3.077 -4.895 1.00 0.00 C ATOM 581 CG1 ILE A 35 189.908 -3.251 -3.465 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.426 -2.375 -5.761 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.261 -3.926 -3.389 1.00 0.00 C ATOM 0 H ILE A 35 188.112 -1.533 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 35 187.943 -1.801 -5.874 1.00 0.00 H new ATOM 0 HB ILE A 35 189.206 -4.069 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 35 189.972 -2.273 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 35 189.187 -3.836 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.357 -2.941 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 190.059 -2.309 -6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.604 -1.372 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.565 -4.016 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.198 -4.918 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.996 -3.330 -3.931 1.00 0.00 H new ATOM 595 N ASN A 36 186.741 -3.722 -3.454 1.00 0.00 N ATOM 596 CA ASN A 36 185.680 -4.671 -3.131 1.00 0.00 C ATOM 597 C ASN A 36 184.598 -4.035 -2.259 1.00 0.00 C ATOM 598 O ASN A 36 184.425 -4.407 -1.098 1.00 0.00 O ATOM 599 CB ASN A 36 186.267 -5.895 -2.424 1.00 0.00 C ATOM 600 CG ASN A 36 186.540 -7.041 -3.381 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.637 -6.843 -4.593 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.663 -8.248 -2.841 1.00 0.00 N ATOM 0 H ASN A 36 187.324 -3.454 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 36 185.215 -4.979 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.194 -5.613 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.577 -6.229 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 36 186.845 -9.057 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.575 -8.367 -1.832 1.00 0.00 H new ATOM 609 N PRO A 37 183.842 -3.068 -2.810 1.00 0.00 N ATOM 610 CA PRO A 37 182.765 -2.394 -2.078 1.00 0.00 C ATOM 611 C PRO A 37 181.559 -3.306 -1.877 1.00 0.00 C ATOM 612 O PRO A 37 180.660 -3.353 -2.715 1.00 0.00 O ATOM 613 CB PRO A 37 182.401 -1.222 -2.988 1.00 0.00 C ATOM 614 CG PRO A 37 182.750 -1.698 -4.356 1.00 0.00 C ATOM 615 CD PRO A 37 183.967 -2.566 -4.191 1.00 0.00 C ATOM 0 HA PRO A 37 183.071 -2.092 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.343 -0.972 -2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 37 182.960 -0.324 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.926 -2.260 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 37 182.955 -0.859 -5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.981 -3.381 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.887 -1.999 -4.331 1.00 0.00 H new ATOM 623 N HIS A 38 181.550 -4.036 -0.765 1.00 0.00 N ATOM 624 CA HIS A 38 180.456 -4.952 -0.461 1.00 0.00 C ATOM 625 C HIS A 38 179.271 -4.215 0.151 1.00 0.00 C ATOM 626 O HIS A 38 179.442 -3.317 0.976 1.00 0.00 O ATOM 627 CB HIS A 38 180.934 -6.058 0.485 1.00 0.00 C ATOM 628 CG HIS A 38 180.769 -7.437 -0.074 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.624 -8.477 0.224 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.839 -7.946 -0.918 1.00 0.00 C ATOM 631 CE1 HIS A 38 181.228 -9.565 -0.414 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.148 -9.269 -1.112 1.00 0.00 N ATOM 0 H HIS A 38 182.287 -4.011 -0.061 1.00 0.00 H new ATOM 0 HA HIS A 38 180.128 -5.402 -1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.985 -5.894 0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.382 -5.986 1.422 1.00 0.00 H new ATOM 0 HD1 HIS A 38 182.435 -8.416 0.840 1.00 0.00 H new ATOM 0 HD2 HIS A 38 179.010 -7.411 -1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.707 -10.532 -0.371 1.00 0.00 H new ATOM 641 N ILE A 39 178.067 -4.604 -0.257 1.00 0.00 N ATOM 642 CA ILE A 39 176.848 -3.989 0.247 1.00 0.00 C ATOM 643 C ILE A 39 175.832 -5.055 0.650 1.00 0.00 C ATOM 644 O ILE A 39 175.316 -5.788 -0.194 1.00 0.00 O ATOM 645 CB ILE A 39 176.217 -3.048 -0.805 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.129 -1.845 -1.051 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.835 -2.583 -0.362 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.254 -2.127 -2.021 1.00 0.00 C ATOM 0 H ILE A 39 177.911 -5.346 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 39 177.119 -3.401 1.123 1.00 0.00 H new ATOM 0 HB ILE A 39 176.105 -3.603 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.530 -1.018 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.553 -1.520 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.413 -1.922 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.184 -3.448 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 39 174.917 -2.046 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.859 -1.229 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 39 178.876 -2.933 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.838 -2.422 -2.984 1.00 0.00 H new ATOM 660 N ILE A 40 175.546 -5.133 1.946 1.00 0.00 N ATOM 661 CA ILE A 40 174.590 -6.104 2.462 1.00 0.00 C ATOM 662 C ILE A 40 173.330 -5.408 2.960 1.00 0.00 C ATOM 663 O ILE A 40 173.276 -4.947 4.100 1.00 0.00 O ATOM 664 CB ILE A 40 175.191 -6.933 3.614 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.597 -7.414 3.251 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.289 -8.113 3.942 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.378 -7.944 4.434 1.00 0.00 C ATOM 0 H ILE A 40 175.964 -4.534 2.658 1.00 0.00 H new ATOM 0 HA ILE A 40 174.340 -6.773 1.639 1.00 0.00 H new ATOM 0 HB ILE A 40 175.264 -6.299 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.521 -8.196 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 40 177.150 -6.589 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.726 -8.689 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.307 -7.748 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.187 -8.749 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.365 -8.267 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.485 -7.157 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 40 176.847 -8.790 4.871 1.00 0.00 H new ATOM 679 N LEU A 41 172.320 -5.326 2.099 1.00 0.00 N ATOM 680 CA LEU A 41 171.066 -4.676 2.463 1.00 0.00 C ATOM 681 C LEU A 41 170.003 -5.703 2.840 1.00 0.00 C ATOM 682 O LEU A 41 169.374 -6.312 1.974 1.00 0.00 O ATOM 683 CB LEU A 41 170.565 -3.802 1.310 1.00 0.00 C ATOM 684 CG LEU A 41 169.157 -3.230 1.495 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.179 -1.712 1.410 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.205 -3.812 0.461 1.00 0.00 C ATOM 0 H LEU A 41 172.345 -5.699 1.150 1.00 0.00 H new ATOM 0 HA LEU A 41 171.255 -4.046 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.261 -2.975 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.584 -4.391 0.393 1.00 0.00 H new ATOM 0 HG LEU A 41 168.800 -3.510 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.169 -1.325 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.827 -1.313 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.557 -1.408 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.209 -3.394 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.559 -3.564 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.164 -4.895 0.573 1.00 0.00 H new ATOM 698 N SER A 42 169.816 -5.893 4.141 1.00 0.00 N ATOM 699 CA SER A 42 168.837 -6.846 4.645 1.00 0.00 C ATOM 700 C SER A 42 167.701 -6.131 5.367 1.00 0.00 C ATOM 701 O SER A 42 167.779 -4.929 5.629 1.00 0.00 O ATOM 702 CB SER A 42 169.510 -7.840 5.593 1.00 0.00 C ATOM 703 OG SER A 42 170.078 -8.923 4.875 1.00 0.00 O ATOM 0 H SER A 42 170.332 -5.397 4.868 1.00 0.00 H new ATOM 0 HA SER A 42 168.419 -7.385 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 42 170.286 -7.333 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.779 -8.217 6.309 1.00 0.00 H new ATOM 0 HG SER A 42 170.611 -9.475 5.484 1.00 0.00 H new ATOM 709 N LYS A 43 166.648 -6.872 5.690 1.00 0.00 N ATOM 710 CA LYS A 43 165.498 -6.303 6.385 1.00 0.00 C ATOM 711 C LYS A 43 165.483 -6.723 7.852 1.00 0.00 C ATOM 712 O LYS A 43 165.236 -7.886 8.170 1.00 0.00 O ATOM 713 CB LYS A 43 164.197 -6.737 5.710 1.00 0.00 C ATOM 714 CG LYS A 43 163.008 -5.853 6.052 1.00 0.00 C ATOM 715 CD LYS A 43 161.957 -6.611 6.849 1.00 0.00 C ATOM 716 CE LYS A 43 161.315 -5.728 7.909 1.00 0.00 C ATOM 717 NZ LYS A 43 160.962 -4.383 7.374 1.00 0.00 N ATOM 0 H LYS A 43 166.566 -7.867 5.482 1.00 0.00 H new ATOM 0 HA LYS A 43 165.581 -5.217 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.341 -6.736 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.972 -7.763 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.348 -4.991 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.563 -5.470 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.189 -6.987 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.415 -7.478 7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.417 -6.214 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 43 161.999 -5.616 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.198 -3.971 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.797 -3.764 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.645 -4.474 6.388 1.00 0.00 H new ATOM 731 N GLU A 44 165.745 -5.770 8.741 1.00 0.00 N ATOM 732 CA GLU A 44 165.755 -6.048 10.172 1.00 0.00 C ATOM 733 C GLU A 44 164.415 -5.688 10.804 1.00 0.00 C ATOM 734 O GLU A 44 163.748 -4.747 10.373 1.00 0.00 O ATOM 735 CB GLU A 44 166.877 -5.272 10.866 1.00 0.00 C ATOM 736 CG GLU A 44 167.878 -6.161 11.587 1.00 0.00 C ATOM 737 CD GLU A 44 167.928 -5.898 13.079 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.628 -4.756 13.491 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.268 -6.830 13.837 1.00 0.00 O ATOM 0 H GLU A 44 165.952 -4.802 8.496 1.00 0.00 H new ATOM 0 HA GLU A 44 165.930 -7.116 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.405 -4.672 10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.438 -4.578 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.619 -7.206 11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 44 168.869 -6.004 11.161 1.00 0.00 H new ATOM 746 N PRO A 45 164.003 -6.436 11.843 1.00 0.00 N ATOM 747 CA PRO A 45 162.744 -6.206 12.547 1.00 0.00 C ATOM 748 C PRO A 45 162.448 -4.728 12.757 1.00 0.00 C ATOM 749 O PRO A 45 161.351 -4.252 12.465 1.00 0.00 O ATOM 750 CB PRO A 45 162.957 -6.884 13.911 1.00 0.00 C ATOM 751 CG PRO A 45 164.296 -7.559 13.856 1.00 0.00 C ATOM 752 CD PRO A 45 164.730 -7.571 12.417 1.00 0.00 C ATOM 0 HA PRO A 45 161.900 -6.596 11.978 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.927 -6.150 14.716 1.00 0.00 H new ATOM 0 HB3 PRO A 45 162.167 -7.608 14.110 1.00 0.00 H new ATOM 0 HG2 PRO A 45 165.021 -7.026 14.472 1.00 0.00 H new ATOM 0 HG3 PRO A 45 164.231 -8.575 14.247 1.00 0.00 H new ATOM 0 HD2 PRO A 45 165.809 -7.450 12.320 1.00 0.00 H new ATOM 0 HD3 PRO A 45 164.469 -8.508 11.925 1.00 0.00 H new ATOM 760 N GLN A 46 163.426 -4.018 13.304 1.00 0.00 N ATOM 761 CA GLN A 46 163.270 -2.605 13.601 1.00 0.00 C ATOM 762 C GLN A 46 163.958 -1.704 12.574 1.00 0.00 C ATOM 763 O GLN A 46 164.531 -0.674 12.935 1.00 0.00 O ATOM 764 CB GLN A 46 163.825 -2.328 14.998 1.00 0.00 C ATOM 765 CG GLN A 46 163.068 -1.249 15.756 1.00 0.00 C ATOM 766 CD GLN A 46 162.303 -1.799 16.947 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.501 -1.361 18.079 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.424 -2.761 16.692 1.00 0.00 N ATOM 0 H GLN A 46 164.338 -4.402 13.551 1.00 0.00 H new ATOM 0 HA GLN A 46 162.206 -2.371 13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.801 -3.251 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.871 -2.033 14.911 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.771 -0.490 16.100 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.372 -0.755 15.078 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.294 -3.093 15.736 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.879 -3.168 17.452 1.00 0.00 H new ATOM 777 N GLY A 47 163.886 -2.072 11.296 1.00 0.00 N ATOM 778 CA GLY A 47 164.494 -1.247 10.262 1.00 0.00 C ATOM 779 C GLY A 47 165.374 -2.018 9.294 1.00 0.00 C ATOM 780 O GLY A 47 165.640 -3.205 9.486 1.00 0.00 O ATOM 0 H GLY A 47 163.423 -2.917 10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.705 -0.747 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.090 -0.468 10.737 1.00 0.00 H new ATOM 784 N PHE A 48 165.829 -1.321 8.251 1.00 0.00 N ATOM 785 CA PHE A 48 166.692 -1.913 7.232 1.00 0.00 C ATOM 786 C PHE A 48 168.138 -1.968 7.714 1.00 0.00 C ATOM 787 O PHE A 48 168.575 -1.113 8.489 1.00 0.00 O ATOM 788 CB PHE A 48 166.636 -1.089 5.939 1.00 0.00 C ATOM 789 CG PHE A 48 165.512 -1.438 4.997 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.863 -2.664 5.061 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.113 -0.525 4.034 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.839 -2.966 4.182 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.093 -0.822 3.154 1.00 0.00 C ATOM 794 CZ PHE A 48 163.453 -2.044 3.227 1.00 0.00 C ATOM 0 H PHE A 48 165.611 -0.338 8.091 1.00 0.00 H new ATOM 0 HA PHE A 48 166.334 -2.925 7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.551 -0.035 6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.581 -1.210 5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 48 165.161 -3.389 5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 48 165.608 0.433 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.341 -3.922 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.795 -0.100 2.408 1.00 0.00 H new ATOM 0 HZ PHE A 48 162.653 -2.278 2.540 1.00 0.00 H new ATOM 804 N VAL A 49 168.876 -2.972 7.239 1.00 0.00 N ATOM 805 CA VAL A 49 170.280 -3.142 7.608 1.00 0.00 C ATOM 806 C VAL A 49 171.197 -2.857 6.425 1.00 0.00 C ATOM 807 O VAL A 49 171.270 -3.645 5.483 1.00 0.00 O ATOM 808 CB VAL A 49 170.572 -4.569 8.110 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.896 -4.613 8.856 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.443 -5.070 8.991 1.00 0.00 C ATOM 0 H VAL A 49 168.523 -3.681 6.596 1.00 0.00 H new ATOM 0 HA VAL A 49 170.473 -2.431 8.411 1.00 0.00 H new ATOM 0 HB VAL A 49 170.645 -5.227 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 49 172.085 -5.629 9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.700 -4.302 8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.854 -3.939 9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.670 -6.079 9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.333 -4.410 9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.514 -5.081 8.421 1.00 0.00 H new ATOM 820 N ALA A 50 171.902 -1.735 6.480 1.00 0.00 N ATOM 821 CA ALA A 50 172.820 -1.361 5.411 1.00 0.00 C ATOM 822 C ALA A 50 174.263 -1.637 5.820 1.00 0.00 C ATOM 823 O ALA A 50 175.031 -0.714 6.097 1.00 0.00 O ATOM 824 CB ALA A 50 172.636 0.104 5.037 1.00 0.00 C ATOM 0 H ALA A 50 171.857 -1.069 7.251 1.00 0.00 H new ATOM 0 HA ALA A 50 172.593 -1.969 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.329 0.365 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.613 0.267 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.834 0.729 5.908 1.00 0.00 H new ATOM 830 N ASP A 51 174.625 -2.915 5.858 1.00 0.00 N ATOM 831 CA ASP A 51 175.974 -3.319 6.238 1.00 0.00 C ATOM 832 C ASP A 51 176.867 -3.475 5.012 1.00 0.00 C ATOM 833 O ASP A 51 176.956 -4.554 4.429 1.00 0.00 O ATOM 834 CB ASP A 51 175.931 -4.633 7.021 1.00 0.00 C ATOM 835 CG ASP A 51 175.929 -4.412 8.521 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.594 -3.290 8.956 1.00 0.00 O ATOM 837 OD2 ASP A 51 176.263 -5.361 9.261 1.00 0.00 O ATOM 0 H ASP A 51 174.002 -3.690 5.630 1.00 0.00 H new ATOM 0 HA ASP A 51 176.394 -2.537 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.040 -5.193 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.791 -5.244 6.748 1.00 0.00 H new ATOM 842 N ALA A 52 177.528 -2.387 4.627 1.00 0.00 N ATOM 843 CA ALA A 52 178.414 -2.401 3.471 1.00 0.00 C ATOM 844 C ALA A 52 179.875 -2.476 3.900 1.00 0.00 C ATOM 845 O ALA A 52 180.311 -1.730 4.775 1.00 0.00 O ATOM 846 CB ALA A 52 178.179 -1.164 2.616 1.00 0.00 C ATOM 0 H ALA A 52 177.466 -1.485 5.100 1.00 0.00 H new ATOM 0 HA ALA A 52 178.189 -3.290 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.847 -1.185 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.144 -1.150 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.377 -0.270 3.207 1.00 0.00 H new ATOM 852 N THR A 53 180.626 -3.380 3.277 1.00 0.00 N ATOM 853 CA THR A 53 182.041 -3.549 3.596 1.00 0.00 C ATOM 854 C THR A 53 182.908 -3.282 2.368 1.00 0.00 C ATOM 855 O THR A 53 182.913 -4.065 1.419 1.00 0.00 O ATOM 856 CB THR A 53 182.303 -4.963 4.124 1.00 0.00 C ATOM 857 OG1 THR A 53 181.214 -5.821 3.824 1.00 0.00 O ATOM 858 CG2 THR A 53 182.526 -5.011 5.620 1.00 0.00 C ATOM 0 H THR A 53 180.280 -4.006 2.550 1.00 0.00 H new ATOM 0 HA THR A 53 182.303 -2.827 4.370 1.00 0.00 H new ATOM 0 HB THR A 53 183.215 -5.293 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.401 -6.719 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.706 -6.041 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 53 183.390 -4.399 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 53 181.643 -4.628 6.132 1.00 0.00 H new ATOM 866 N ILE A 54 183.638 -2.174 2.390 1.00 0.00 N ATOM 867 CA ILE A 54 184.503 -1.810 1.273 1.00 0.00 C ATOM 868 C ILE A 54 185.966 -2.092 1.590 1.00 0.00 C ATOM 869 O ILE A 54 186.423 -1.868 2.711 1.00 0.00 O ATOM 870 CB ILE A 54 184.345 -0.324 0.899 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.865 0.045 0.790 1.00 0.00 C ATOM 872 CG2 ILE A 54 185.065 -0.030 -0.408 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.611 1.534 0.845 1.00 0.00 C ATOM 0 H ILE A 54 183.649 -1.513 3.167 1.00 0.00 H new ATOM 0 HA ILE A 54 184.196 -2.424 0.426 1.00 0.00 H new ATOM 0 HB ILE A 54 184.793 0.282 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.468 -0.349 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.317 -0.439 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.945 1.024 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 54 186.125 -0.259 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.641 -0.644 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.541 1.724 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.978 1.931 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 54 183.131 2.022 0.021 1.00 0.00 H new ATOM 885 N ASN A 55 186.696 -2.588 0.597 1.00 0.00 N ATOM 886 CA ASN A 55 188.109 -2.904 0.768 1.00 0.00 C ATOM 887 C ASN A 55 188.995 -1.780 0.241 1.00 0.00 C ATOM 888 O ASN A 55 189.282 -1.709 -0.956 1.00 0.00 O ATOM 889 CB ASN A 55 188.448 -4.214 0.055 1.00 0.00 C ATOM 890 CG ASN A 55 189.386 -5.085 0.867 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.205 -6.300 0.955 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.396 -4.468 1.468 1.00 0.00 N ATOM 0 H ASN A 55 186.332 -2.780 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 55 188.300 -3.016 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.529 -4.764 -0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.905 -3.992 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.059 -5.003 2.029 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.509 -3.459 1.369 1.00 0.00 H new ATOM 899 N THR A 56 189.418 -0.901 1.144 1.00 0.00 N ATOM 900 CA THR A 56 190.270 0.227 0.783 1.00 0.00 C ATOM 901 C THR A 56 191.743 -0.128 0.981 1.00 0.00 C ATOM 902 O THR A 56 192.067 -1.067 1.707 1.00 0.00 O ATOM 903 CB THR A 56 189.914 1.457 1.629 1.00 0.00 C ATOM 904 OG1 THR A 56 190.717 1.519 2.795 1.00 0.00 O ATOM 905 CG2 THR A 56 188.466 1.487 2.074 1.00 0.00 C ATOM 0 H THR A 56 189.183 -0.949 2.136 1.00 0.00 H new ATOM 0 HA THR A 56 190.102 0.458 -0.269 1.00 0.00 H new ATOM 0 HB THR A 56 190.096 2.310 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.474 2.311 3.318 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.286 2.384 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.816 1.495 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.252 0.604 2.677 1.00 0.00 H new ATOM 913 N PRO A 57 192.661 0.624 0.349 1.00 0.00 N ATOM 914 CA PRO A 57 194.101 0.376 0.480 1.00 0.00 C ATOM 915 C PRO A 57 194.592 0.608 1.904 1.00 0.00 C ATOM 916 O PRO A 57 195.533 -0.041 2.362 1.00 0.00 O ATOM 917 CB PRO A 57 194.733 1.393 -0.475 1.00 0.00 C ATOM 918 CG PRO A 57 193.709 2.464 -0.620 1.00 0.00 C ATOM 919 CD PRO A 57 192.379 1.771 -0.532 1.00 0.00 C ATOM 0 HA PRO A 57 194.360 -0.657 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.665 1.789 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.970 0.939 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.813 3.213 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.818 2.983 -1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.611 2.422 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.025 1.450 -1.512 1.00 0.00 H new ATOM 927 N ASN A 58 193.944 1.536 2.602 1.00 0.00 N ATOM 928 CA ASN A 58 194.311 1.856 3.976 1.00 0.00 C ATOM 929 C ASN A 58 193.574 0.960 4.970 1.00 0.00 C ATOM 930 O ASN A 58 193.913 0.927 6.154 1.00 0.00 O ATOM 931 CB ASN A 58 194.005 3.325 4.276 1.00 0.00 C ATOM 932 CG ASN A 58 194.979 3.926 5.269 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.576 5.056 4.905 1.00 0.00 O flip ATOM 934 ND2 ASN A 58 195.194 3.382 6.353 1.00 0.00 N flip ATOM 0 H ASN A 58 193.162 2.080 2.238 1.00 0.00 H new ATOM 0 HA ASN A 58 195.381 1.680 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 58 194.037 3.897 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 58 192.992 3.410 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 58 194.714 2.515 6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 58 195.852 3.799 7.011 1.00 0.00 H new ATOM 941 N GLY A 59 192.568 0.235 4.489 1.00 0.00 N ATOM 942 CA GLY A 59 191.810 -0.647 5.356 1.00 0.00 C ATOM 943 C GLY A 59 190.462 -1.020 4.772 1.00 0.00 C ATOM 944 O GLY A 59 190.322 -1.162 3.556 1.00 0.00 O ATOM 0 H GLY A 59 192.265 0.243 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.386 -1.554 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.662 -0.163 6.321 1.00 0.00 H new ATOM 948 N VAL A 60 189.469 -1.183 5.638 1.00 0.00 N ATOM 949 CA VAL A 60 188.125 -1.543 5.203 1.00 0.00 C ATOM 950 C VAL A 60 187.108 -0.492 5.636 1.00 0.00 C ATOM 951 O VAL A 60 186.930 -0.242 6.828 1.00 0.00 O ATOM 952 CB VAL A 60 187.698 -2.912 5.766 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.373 -3.350 5.164 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.776 -3.955 5.510 1.00 0.00 C ATOM 0 H VAL A 60 189.569 -1.071 6.647 1.00 0.00 H new ATOM 0 HA VAL A 60 188.150 -1.597 4.115 1.00 0.00 H new ATOM 0 HB VAL A 60 187.566 -2.813 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.089 -4.319 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.604 -2.615 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.474 -3.430 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.457 -4.915 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.942 -4.051 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.703 -3.647 5.995 1.00 0.00 H new ATOM 964 N LEU A 61 186.441 0.118 4.661 1.00 0.00 N ATOM 965 CA LEU A 61 185.438 1.138 4.947 1.00 0.00 C ATOM 966 C LEU A 61 184.057 0.510 5.075 1.00 0.00 C ATOM 967 O LEU A 61 183.394 0.233 4.076 1.00 0.00 O ATOM 968 CB LEU A 61 185.430 2.202 3.847 1.00 0.00 C ATOM 969 CG LEU A 61 186.529 3.258 3.961 1.00 0.00 C ATOM 970 CD1 LEU A 61 186.517 4.176 2.750 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.362 4.061 5.244 1.00 0.00 C ATOM 0 H LEU A 61 186.576 -0.076 3.669 1.00 0.00 H new ATOM 0 HA LEU A 61 185.694 1.613 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.523 1.705 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.463 2.704 3.855 1.00 0.00 H new ATOM 0 HG LEU A 61 187.493 2.750 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.307 4.921 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.684 3.589 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.552 4.678 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.152 4.809 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 61 185.392 4.558 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 61 186.422 3.392 6.102 1.00 0.00 H new ATOM 983 N VAL A 62 183.636 0.271 6.310 1.00 0.00 N ATOM 984 CA VAL A 62 182.340 -0.339 6.569 1.00 0.00 C ATOM 985 C VAL A 62 181.256 0.714 6.795 1.00 0.00 C ATOM 986 O VAL A 62 181.230 1.382 7.829 1.00 0.00 O ATOM 987 CB VAL A 62 182.399 -1.275 7.793 1.00 0.00 C ATOM 988 CG1 VAL A 62 182.781 -0.499 9.047 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.071 -1.992 7.984 1.00 0.00 C ATOM 0 H VAL A 62 184.174 0.491 7.148 1.00 0.00 H new ATOM 0 HA VAL A 62 182.086 -0.921 5.683 1.00 0.00 H new ATOM 0 HB VAL A 62 183.168 -2.026 7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 62 182.817 -1.178 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.760 -0.041 8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 62 182.040 0.278 9.234 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.133 -2.648 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.280 -1.258 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 62 180.847 -2.585 7.097 1.00 0.00 H new ATOM 999 N ALA A 63 180.357 0.849 5.825 1.00 0.00 N ATOM 1000 CA ALA A 63 179.267 1.812 5.927 1.00 0.00 C ATOM 1001 C ALA A 63 178.024 1.158 6.517 1.00 0.00 C ATOM 1002 O ALA A 63 177.378 0.333 5.870 1.00 0.00 O ATOM 1003 CB ALA A 63 178.955 2.405 4.561 1.00 0.00 C ATOM 0 H ALA A 63 180.362 0.305 4.962 1.00 0.00 H new ATOM 0 HA ALA A 63 179.581 2.616 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.139 3.122 4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.840 2.910 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.662 1.609 3.877 1.00 0.00 H new ATOM 1009 N SER A 64 177.699 1.521 7.753 1.00 0.00 N ATOM 1010 CA SER A 64 176.537 0.961 8.429 1.00 0.00 C ATOM 1011 C SER A 64 175.346 1.910 8.361 1.00 0.00 C ATOM 1012 O SER A 64 175.449 3.082 8.725 1.00 0.00 O ATOM 1013 CB SER A 64 176.870 0.646 9.890 1.00 0.00 C ATOM 1014 OG SER A 64 178.032 1.341 10.309 1.00 0.00 O ATOM 0 H SER A 64 178.223 2.199 8.305 1.00 0.00 H new ATOM 0 HA SER A 64 176.267 0.038 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.029 0.921 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 177.021 -0.427 10.009 1.00 0.00 H new ATOM 0 HG SER A 64 178.223 1.125 11.246 1.00 0.00 H new ATOM 1020 N GLY A 65 174.215 1.391 7.900 1.00 0.00 N ATOM 1021 CA GLY A 65 173.011 2.193 7.798 1.00 0.00 C ATOM 1022 C GLY A 65 171.798 1.461 8.334 1.00 0.00 C ATOM 1023 O GLY A 65 171.415 0.415 7.810 1.00 0.00 O ATOM 0 H GLY A 65 174.110 0.424 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.147 3.123 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.841 2.462 6.755 1.00 0.00 H new ATOM 1027 N LYS A 66 171.197 2.002 9.385 1.00 0.00 N ATOM 1028 CA LYS A 66 170.026 1.381 9.993 1.00 0.00 C ATOM 1029 C LYS A 66 168.846 2.343 10.022 1.00 0.00 C ATOM 1030 O LYS A 66 168.945 3.447 10.559 1.00 0.00 O ATOM 1031 CB LYS A 66 170.360 0.919 11.413 1.00 0.00 C ATOM 1032 CG LYS A 66 169.199 0.246 12.126 1.00 0.00 C ATOM 1033 CD LYS A 66 169.122 0.668 13.583 1.00 0.00 C ATOM 1034 CE LYS A 66 167.682 0.785 14.054 1.00 0.00 C ATOM 1035 NZ LYS A 66 166.956 -0.510 13.942 1.00 0.00 N ATOM 0 H LYS A 66 171.499 2.867 9.834 1.00 0.00 H new ATOM 0 HA LYS A 66 169.745 0.519 9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.200 0.226 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.685 1.779 11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 66 168.266 0.499 11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 66 169.311 -0.836 12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.650 -0.058 14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 66 169.627 1.625 13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 66 167.665 1.123 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 66 167.167 1.543 13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 166.161 -0.406 13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 167.605 -1.243 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 166.594 -0.787 14.877 1.00 0.00 H new ATOM 1049 N HIS A 67 167.723 1.920 9.443 1.00 0.00 N ATOM 1050 CA HIS A 67 166.524 2.753 9.413 1.00 0.00 C ATOM 1051 C HIS A 67 165.379 2.043 8.699 1.00 0.00 C ATOM 1052 O HIS A 67 165.599 1.226 7.805 1.00 0.00 O ATOM 1053 CB HIS A 67 166.820 4.087 8.725 1.00 0.00 C ATOM 1054 CG HIS A 67 166.128 5.251 9.359 1.00 0.00 C ATOM 1055 ND1 HIS A 67 164.958 5.862 9.053 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 166.635 5.926 10.450 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 164.783 6.883 9.955 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 165.807 6.899 10.787 1.00 0.00 N flip ATOM 0 H HIS A 67 167.619 1.011 8.991 1.00 0.00 H new ATOM 0 HA HIS A 67 166.221 2.941 10.443 1.00 0.00 H new ATOM 0 HB2 HIS A 67 167.896 4.263 8.738 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.520 4.022 7.679 1.00 0.00 H new ATOM 0 HD1 HIS A 67 164.325 5.611 8.294 1.00 0.00 H new ATOM 0 HD2 HIS A 67 167.564 5.695 10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 67 163.944 7.562 9.979 1.00 0.00 H new ATOM 1067 N GLU A 68 164.153 2.362 9.102 1.00 0.00 N ATOM 1068 CA GLU A 68 162.967 1.756 8.507 1.00 0.00 C ATOM 1069 C GLU A 68 162.841 2.133 7.035 1.00 0.00 C ATOM 1070 O GLU A 68 162.544 1.286 6.192 1.00 0.00 O ATOM 1071 CB GLU A 68 161.711 2.193 9.265 1.00 0.00 C ATOM 1072 CG GLU A 68 161.137 1.110 10.163 1.00 0.00 C ATOM 1073 CD GLU A 68 160.691 -0.114 9.388 1.00 0.00 C ATOM 1074 OE1 GLU A 68 161.534 -1.001 9.144 1.00 0.00 O ATOM 1075 OE2 GLU A 68 159.497 -0.185 9.025 1.00 0.00 O ATOM 0 H GLU A 68 163.955 3.038 9.840 1.00 0.00 H new ATOM 0 HA GLU A 68 163.070 0.673 8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.948 3.068 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 68 160.951 2.499 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 68 161.887 0.817 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.289 1.514 10.717 1.00 0.00 H new ATOM 1082 N ASP A 69 163.067 3.405 6.734 1.00 0.00 N ATOM 1083 CA ASP A 69 162.972 3.890 5.363 1.00 0.00 C ATOM 1084 C ASP A 69 164.232 3.539 4.578 1.00 0.00 C ATOM 1085 O ASP A 69 165.325 3.462 5.137 1.00 0.00 O ATOM 1086 CB ASP A 69 162.736 5.403 5.341 1.00 0.00 C ATOM 1087 CG ASP A 69 161.416 5.772 4.693 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.367 5.286 5.163 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.431 6.548 3.714 1.00 0.00 O ATOM 0 H ASP A 69 163.317 4.118 7.419 1.00 0.00 H new ATOM 0 HA ASP A 69 162.122 3.400 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.757 5.786 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.550 5.887 4.802 1.00 0.00 H new ATOM 1094 N MET A 70 164.065 3.319 3.280 1.00 0.00 N ATOM 1095 CA MET A 70 165.183 2.966 2.414 1.00 0.00 C ATOM 1096 C MET A 70 166.140 4.148 2.248 1.00 0.00 C ATOM 1097 O MET A 70 167.338 4.025 2.508 1.00 0.00 O ATOM 1098 CB MET A 70 164.641 2.458 1.059 1.00 0.00 C ATOM 1099 CG MET A 70 165.292 3.056 -0.190 1.00 0.00 C ATOM 1100 SD MET A 70 164.079 3.726 -1.346 1.00 0.00 S ATOM 1101 CE MET A 70 163.335 2.224 -1.976 1.00 0.00 C ATOM 0 H MET A 70 163.165 3.379 2.803 1.00 0.00 H new ATOM 0 HA MET A 70 165.760 2.162 2.872 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.762 1.375 1.025 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.571 2.661 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.982 3.846 0.106 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.882 2.289 -0.691 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.354 2.451 -2.394 1.00 0.00 H new ATOM 0 HE2 MET A 70 163.972 1.801 -2.753 1.00 0.00 H new ATOM 0 HE3 MET A 70 163.225 1.504 -1.165 1.00 0.00 H new ATOM 1111 N TYR A 71 165.610 5.287 1.811 1.00 0.00 N ATOM 1112 CA TYR A 71 166.429 6.480 1.606 1.00 0.00 C ATOM 1113 C TYR A 71 167.145 6.893 2.887 1.00 0.00 C ATOM 1114 O TYR A 71 168.249 7.434 2.842 1.00 0.00 O ATOM 1115 CB TYR A 71 165.575 7.635 1.077 1.00 0.00 C ATOM 1116 CG TYR A 71 165.292 7.555 -0.411 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.655 6.434 -1.151 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.663 8.599 -1.075 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.399 6.356 -2.503 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.401 8.528 -2.430 1.00 0.00 C ATOM 1121 CZ TYR A 71 164.772 7.404 -3.141 1.00 0.00 C ATOM 1122 OH TYR A 71 164.514 7.330 -4.489 1.00 0.00 O ATOM 0 H TYR A 71 164.621 5.410 1.593 1.00 0.00 H new ATOM 0 HA TYR A 71 167.188 6.235 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.628 7.652 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.081 8.576 1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.147 5.609 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.374 9.481 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 71 165.689 5.477 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.908 9.348 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 71 164.066 8.151 -4.782 1.00 0.00 H new ATOM 1132 N THR A 72 166.523 6.628 4.032 1.00 0.00 N ATOM 1133 CA THR A 72 167.126 6.972 5.312 1.00 0.00 C ATOM 1134 C THR A 72 168.348 6.097 5.570 1.00 0.00 C ATOM 1135 O THR A 72 169.382 6.578 6.033 1.00 0.00 O ATOM 1136 CB THR A 72 166.118 6.811 6.450 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.278 5.694 6.224 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.230 8.025 6.636 1.00 0.00 C ATOM 0 H THR A 72 165.609 6.180 4.098 1.00 0.00 H new ATOM 0 HA THR A 72 167.436 8.016 5.273 1.00 0.00 H new ATOM 0 HB THR A 72 166.717 6.676 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 72 165.786 4.989 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.537 7.847 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.846 8.895 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 72 164.667 8.208 5.721 1.00 0.00 H new ATOM 1146 N ALA A 73 168.224 4.812 5.253 1.00 0.00 N ATOM 1147 CA ALA A 73 169.320 3.871 5.439 1.00 0.00 C ATOM 1148 C ALA A 73 170.527 4.272 4.597 1.00 0.00 C ATOM 1149 O ALA A 73 171.673 4.051 4.987 1.00 0.00 O ATOM 1150 CB ALA A 73 168.872 2.460 5.080 1.00 0.00 C ATOM 0 H ALA A 73 167.375 4.400 4.866 1.00 0.00 H new ATOM 0 HA ALA A 73 169.613 3.891 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.701 1.767 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.040 2.168 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.554 2.433 4.038 1.00 0.00 H new ATOM 1156 N ILE A 74 170.257 4.868 3.438 1.00 0.00 N ATOM 1157 CA ILE A 74 171.325 5.305 2.540 1.00 0.00 C ATOM 1158 C ILE A 74 172.121 6.446 3.162 1.00 0.00 C ATOM 1159 O ILE A 74 173.336 6.349 3.336 1.00 0.00 O ATOM 1160 CB ILE A 74 170.804 5.774 1.155 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.409 5.218 0.843 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.787 5.378 0.062 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.377 3.726 0.585 1.00 0.00 C ATOM 0 H ILE A 74 169.314 5.059 3.099 1.00 0.00 H new ATOM 0 HA ILE A 74 171.957 4.430 2.389 1.00 0.00 H new ATOM 0 HB ILE A 74 170.720 6.860 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.745 5.445 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.012 5.735 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.410 5.712 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.753 5.843 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.902 4.294 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.354 3.415 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.012 3.491 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.742 3.197 1.465 1.00 0.00 H new ATOM 1175 N ASN A 75 171.424 7.532 3.491 1.00 0.00 N ATOM 1176 CA ASN A 75 172.059 8.703 4.092 1.00 0.00 C ATOM 1177 C ASN A 75 172.925 8.308 5.284 1.00 0.00 C ATOM 1178 O ASN A 75 174.029 8.823 5.460 1.00 0.00 O ATOM 1179 CB ASN A 75 170.998 9.713 4.529 1.00 0.00 C ATOM 1180 CG ASN A 75 170.401 10.469 3.356 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.831 11.576 3.035 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.406 9.870 2.712 1.00 0.00 N ATOM 0 H ASN A 75 170.418 7.625 3.351 1.00 0.00 H new ATOM 0 HA ASN A 75 172.702 9.161 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.204 9.193 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.442 10.423 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.965 10.329 1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 75 169.083 8.951 3.015 1.00 0.00 H new ATOM 1189 N GLU A 76 172.418 7.393 6.100 1.00 0.00 N ATOM 1190 CA GLU A 76 173.147 6.928 7.272 1.00 0.00 C ATOM 1191 C GLU A 76 174.452 6.252 6.860 1.00 0.00 C ATOM 1192 O GLU A 76 175.484 6.424 7.508 1.00 0.00 O ATOM 1193 CB GLU A 76 172.285 5.959 8.084 1.00 0.00 C ATOM 1194 CG GLU A 76 172.220 6.295 9.565 1.00 0.00 C ATOM 1195 CD GLU A 76 173.026 5.336 10.418 1.00 0.00 C ATOM 1196 OE1 GLU A 76 173.891 4.628 9.859 1.00 0.00 O ATOM 1197 OE2 GLU A 76 172.795 5.293 11.644 1.00 0.00 O ATOM 0 H GLU A 76 171.504 6.958 5.971 1.00 0.00 H new ATOM 0 HA GLU A 76 173.385 7.792 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.274 5.956 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.679 4.950 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.588 7.309 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 76 171.180 6.279 9.892 1.00 0.00 H new ATOM 1204 N LEU A 77 174.398 5.482 5.776 1.00 0.00 N ATOM 1205 CA LEU A 77 175.574 4.780 5.274 1.00 0.00 C ATOM 1206 C LEU A 77 176.681 5.768 4.904 1.00 0.00 C ATOM 1207 O LEU A 77 177.814 5.646 5.372 1.00 0.00 O ATOM 1208 CB LEU A 77 175.189 3.904 4.070 1.00 0.00 C ATOM 1209 CG LEU A 77 176.208 3.836 2.924 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.211 2.452 2.291 1.00 0.00 C ATOM 1211 CD2 LEU A 77 175.906 4.903 1.879 1.00 0.00 C ATOM 0 H LEU A 77 173.551 5.329 5.229 1.00 0.00 H new ATOM 0 HA LEU A 77 175.959 4.134 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.009 2.890 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.245 4.272 3.667 1.00 0.00 H new ATOM 0 HG LEU A 77 177.200 4.026 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.940 2.424 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 176.476 1.709 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 77 175.220 2.231 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.638 4.841 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.907 4.743 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 77 175.957 5.889 2.341 1.00 0.00 H new ATOM 1223 N ILE A 78 176.352 6.741 4.060 1.00 0.00 N ATOM 1224 CA ILE A 78 177.324 7.740 3.632 1.00 0.00 C ATOM 1225 C ILE A 78 177.884 8.511 4.826 1.00 0.00 C ATOM 1226 O ILE A 78 179.071 8.831 4.865 1.00 0.00 O ATOM 1227 CB ILE A 78 176.708 8.732 2.623 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.741 9.777 2.194 1.00 0.00 C ATOM 1229 CG2 ILE A 78 175.482 9.406 3.219 1.00 0.00 C ATOM 1230 CD1 ILE A 78 177.417 10.438 0.871 1.00 0.00 C ATOM 0 H ILE A 78 175.421 6.859 3.660 1.00 0.00 H new ATOM 0 HA ILE A 78 178.136 7.203 3.142 1.00 0.00 H new ATOM 0 HB ILE A 78 176.399 8.174 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.813 10.543 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.719 9.302 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.061 10.102 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 78 174.738 8.650 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 78 175.767 9.949 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.191 11.167 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 78 177.373 9.682 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 78 176.453 10.942 0.943 1.00 0.00 H new ATOM 1242 N ASN A 79 177.024 8.803 5.796 1.00 0.00 N ATOM 1243 CA ASN A 79 177.440 9.536 6.986 1.00 0.00 C ATOM 1244 C ASN A 79 178.493 8.751 7.761 1.00 0.00 C ATOM 1245 O ASN A 79 179.598 9.241 8.005 1.00 0.00 O ATOM 1246 CB ASN A 79 176.234 9.824 7.881 1.00 0.00 C ATOM 1247 CG ASN A 79 175.234 10.754 7.221 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.599 11.580 6.383 1.00 0.00 O ATOM 1249 ND2 ASN A 79 173.967 10.625 7.593 1.00 0.00 N ATOM 0 H ASN A 79 176.037 8.544 5.782 1.00 0.00 H new ATOM 0 HA ASN A 79 177.878 10.483 6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.741 8.886 8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.576 10.267 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.251 11.224 7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.709 9.927 8.291 1.00 0.00 H new ATOM 1256 N LYS A 80 178.147 7.525 8.141 1.00 0.00 N ATOM 1257 CA LYS A 80 179.063 6.665 8.881 1.00 0.00 C ATOM 1258 C LYS A 80 180.367 6.481 8.109 1.00 0.00 C ATOM 1259 O LYS A 80 181.435 6.315 8.700 1.00 0.00 O ATOM 1260 CB LYS A 80 178.416 5.302 9.142 1.00 0.00 C ATOM 1261 CG LYS A 80 177.735 5.196 10.497 1.00 0.00 C ATOM 1262 CD LYS A 80 176.657 6.256 10.668 1.00 0.00 C ATOM 1263 CE LYS A 80 176.509 6.668 12.123 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.142 5.516 12.994 1.00 0.00 N ATOM 0 H LYS A 80 177.238 7.105 7.948 1.00 0.00 H new ATOM 0 HA LYS A 80 179.286 7.142 9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.683 5.103 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.179 4.528 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.293 4.206 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.478 5.302 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.905 7.129 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 80 175.706 5.873 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.445 7.104 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 80 175.746 7.442 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 175.952 5.857 13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.291 5.052 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.927 4.834 13.017 1.00 0.00 H new ATOM 1278 N LEU A 81 180.269 6.514 6.784 1.00 0.00 N ATOM 1279 CA LEU A 81 181.435 6.354 5.921 1.00 0.00 C ATOM 1280 C LEU A 81 182.417 7.505 6.109 1.00 0.00 C ATOM 1281 O LEU A 81 183.601 7.288 6.366 1.00 0.00 O ATOM 1282 CB LEU A 81 181.002 6.276 4.455 1.00 0.00 C ATOM 1283 CG LEU A 81 181.958 5.525 3.519 1.00 0.00 C ATOM 1284 CD1 LEU A 81 183.400 5.645 3.995 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.554 4.064 3.406 1.00 0.00 C ATOM 0 H LEU A 81 179.391 6.651 6.283 1.00 0.00 H new ATOM 0 HA LEU A 81 181.934 5.426 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.025 5.795 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.876 7.291 4.078 1.00 0.00 H new ATOM 0 HG LEU A 81 181.891 5.982 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 81 184.055 5.103 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 81 183.689 6.696 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 81 183.489 5.222 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 81 182.243 3.547 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 81 181.587 3.600 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 81 180.542 3.996 3.007 1.00 0.00 H new ATOM 1297 N GLU A 82 181.919 8.731 5.975 1.00 0.00 N ATOM 1298 CA GLU A 82 182.755 9.918 6.128 1.00 0.00 C ATOM 1299 C GLU A 82 183.517 9.877 7.449 1.00 0.00 C ATOM 1300 O GLU A 82 184.698 10.215 7.506 1.00 0.00 O ATOM 1301 CB GLU A 82 181.900 11.185 6.061 1.00 0.00 C ATOM 1302 CG GLU A 82 181.656 11.681 4.644 1.00 0.00 C ATOM 1303 CD GLU A 82 180.195 11.990 4.377 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.329 11.291 4.940 1.00 0.00 O ATOM 1305 OE2 GLU A 82 179.920 12.931 3.605 1.00 0.00 O ATOM 0 H GLU A 82 180.941 8.929 5.761 1.00 0.00 H new ATOM 0 HA GLU A 82 183.476 9.931 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.940 10.991 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 82 182.388 11.973 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 82 182.251 12.578 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.000 10.928 3.935 1.00 0.00 H new ATOM 1312 N ARG A 83 182.830 9.459 8.505 1.00 0.00 N ATOM 1313 CA ARG A 83 183.441 9.370 9.826 1.00 0.00 C ATOM 1314 C ARG A 83 184.565 8.337 9.836 1.00 0.00 C ATOM 1315 O ARG A 83 185.590 8.526 10.495 1.00 0.00 O ATOM 1316 CB ARG A 83 182.384 9.010 10.872 1.00 0.00 C ATOM 1317 CG ARG A 83 182.424 9.900 12.104 1.00 0.00 C ATOM 1318 CD ARG A 83 183.645 9.607 12.958 1.00 0.00 C ATOM 1319 NE ARG A 83 183.697 8.209 13.375 1.00 0.00 N ATOM 1320 CZ ARG A 83 184.787 7.621 13.863 1.00 0.00 C ATOM 1321 NH1 ARG A 83 185.915 8.306 13.999 1.00 0.00 N ATOM 1322 NH2 ARG A 83 184.748 6.343 14.217 1.00 0.00 N ATOM 0 H ARG A 83 181.850 9.176 8.473 1.00 0.00 H new ATOM 0 HA ARG A 83 183.868 10.342 10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.396 9.077 10.417 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.525 7.973 11.178 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.434 10.946 11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 83 181.520 9.748 12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 83 184.547 9.852 12.397 1.00 0.00 H new ATOM 0 HD3 ARG A 83 183.634 10.248 13.839 1.00 0.00 H new ATOM 0 HE ARG A 83 182.848 7.650 13.287 1.00 0.00 H new ATOM 0 HH11 ARG A 83 185.950 9.289 13.729 1.00 0.00 H new ATOM 0 HH12 ARG A 83 186.747 7.850 14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.883 5.812 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 83 185.583 5.892 14.591 1.00 0.00 H new ATOM 1336 N GLN A 84 184.366 7.246 9.104 1.00 0.00 N ATOM 1337 CA GLN A 84 185.361 6.182 9.028 1.00 0.00 C ATOM 1338 C GLN A 84 186.646 6.681 8.373 1.00 0.00 C ATOM 1339 O GLN A 84 187.727 6.585 8.952 1.00 0.00 O ATOM 1340 CB GLN A 84 184.807 4.990 8.247 1.00 0.00 C ATOM 1341 CG GLN A 84 183.727 4.223 8.990 1.00 0.00 C ATOM 1342 CD GLN A 84 182.601 3.770 8.082 1.00 0.00 C ATOM 1343 OE1 GLN A 84 181.427 3.845 8.445 1.00 0.00 O ATOM 1344 NE2 GLN A 84 182.955 3.297 6.893 1.00 0.00 N ATOM 0 H GLN A 84 183.524 7.075 8.554 1.00 0.00 H new ATOM 0 HA GLN A 84 185.593 5.865 10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.402 5.344 7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.625 4.310 8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 84 184.172 3.353 9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.319 4.852 9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 84 183.941 3.253 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 84 182.241 2.977 6.238 1.00 0.00 H new ATOM 1353 N LEU A 85 186.519 7.211 7.161 1.00 0.00 N ATOM 1354 CA LEU A 85 187.670 7.721 6.426 1.00 0.00 C ATOM 1355 C LEU A 85 188.385 8.811 7.219 1.00 0.00 C ATOM 1356 O LEU A 85 189.604 8.960 7.131 1.00 0.00 O ATOM 1357 CB LEU A 85 187.231 8.271 5.068 1.00 0.00 C ATOM 1358 CG LEU A 85 186.929 7.211 4.008 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.147 7.817 2.852 1.00 0.00 C ATOM 1360 CD2 LEU A 85 188.218 6.577 3.509 1.00 0.00 C ATOM 0 H LEU A 85 185.631 7.298 6.667 1.00 0.00 H new ATOM 0 HA LEU A 85 188.364 6.895 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 85 186.341 8.883 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 85 188.013 8.929 4.689 1.00 0.00 H new ATOM 0 HG LEU A 85 186.316 6.433 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 85 185.942 7.047 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.206 8.223 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 85 186.732 8.615 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 85 187.985 5.825 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 85 188.855 7.345 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.738 6.106 4.343 1.00 0.00 H new ATOM 1372 N ASN A 86 187.617 9.571 7.991 1.00 0.00 N ATOM 1373 CA ASN A 86 188.173 10.650 8.799 1.00 0.00 C ATOM 1374 C ASN A 86 189.216 10.122 9.781 1.00 0.00 C ATOM 1375 O ASN A 86 190.367 10.554 9.768 1.00 0.00 O ATOM 1376 CB ASN A 86 187.059 11.371 9.560 1.00 0.00 C ATOM 1377 CG ASN A 86 186.351 12.403 8.705 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.929 12.955 7.769 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.090 12.672 9.025 1.00 0.00 N ATOM 0 H ASN A 86 186.607 9.460 8.075 1.00 0.00 H new ATOM 0 HA ASN A 86 188.662 11.355 8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.334 10.640 9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.480 11.858 10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.563 13.359 8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.649 12.191 9.809 1.00 0.00 H new ATOM 1386 N LYS A 87 188.805 9.188 10.636 1.00 0.00 N ATOM 1387 CA LYS A 87 189.709 8.612 11.626 1.00 0.00 C ATOM 1388 C LYS A 87 190.768 7.734 10.963 1.00 0.00 C ATOM 1389 O LYS A 87 191.921 7.703 11.392 1.00 0.00 O ATOM 1390 CB LYS A 87 188.924 7.801 12.663 1.00 0.00 C ATOM 1391 CG LYS A 87 188.448 6.446 12.159 1.00 0.00 C ATOM 1392 CD LYS A 87 189.508 5.375 12.357 1.00 0.00 C ATOM 1393 CE LYS A 87 188.889 4.036 12.729 1.00 0.00 C ATOM 1394 NZ LYS A 87 189.175 3.663 14.142 1.00 0.00 N ATOM 0 H LYS A 87 187.856 8.816 10.663 1.00 0.00 H new ATOM 0 HA LYS A 87 190.217 9.434 12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.551 7.650 13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.059 8.382 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 87 187.537 6.160 12.686 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.195 6.518 11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.091 5.266 11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.199 5.687 13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 87 187.811 4.080 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 87 189.273 3.262 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 188.736 2.745 14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 190.203 3.595 14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 188.786 4.388 14.778 1.00 0.00 H new ATOM 1408 N LEU A 88 190.369 7.017 9.917 1.00 0.00 N ATOM 1409 CA LEU A 88 191.284 6.137 9.201 1.00 0.00 C ATOM 1410 C LEU A 88 192.391 6.933 8.518 1.00 0.00 C ATOM 1411 O LEU A 88 193.554 6.530 8.525 1.00 0.00 O ATOM 1412 CB LEU A 88 190.522 5.307 8.167 1.00 0.00 C ATOM 1413 CG LEU A 88 190.996 3.860 8.022 1.00 0.00 C ATOM 1414 CD1 LEU A 88 189.830 2.950 7.662 1.00 0.00 C ATOM 1415 CD2 LEU A 88 192.095 3.762 6.976 1.00 0.00 C ATOM 0 H LEU A 88 189.419 7.029 9.547 1.00 0.00 H new ATOM 0 HA LEU A 88 191.744 5.467 9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.465 5.302 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.603 5.799 7.198 1.00 0.00 H new ATOM 0 HG LEU A 88 191.403 3.533 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.186 1.925 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 88 189.075 2.998 8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.393 3.275 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 88 192.420 2.726 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 88 191.714 4.108 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.939 4.382 7.276 1.00 0.00 H new