USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 766 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 29 GLN : amide:sc= 0.877 K(o=1.6,f=-0.99) USER MOD Set 1.2: A 46 GLN : amide:sc= 0.721 K(o=1.6,f=-1.2) USER MOD Set 2.1: A 19 TYR OH : rot 150:sc= 0.175 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -136:sc= 0.57 (180deg=0) USER MOD Set 3.1: A 4 THR OG1 : rot -48:sc= 1.7 USER MOD Set 3.2: A 6 SER OG : rot -49:sc= 0.836 USER MOD Single : A 8 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 78:sc= 0.983 USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 1.89 (180deg=1.79) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 31 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0297 K(o=-0.03,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.23) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -113:sc= -0.524 (180deg=-0.987) USER MOD Single : A 55 THR OG1 : rot 74:sc= 0.00214 USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.733 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -119:sc=-0.00533 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 THR OG1 : rot 83:sc= 0.433 USER MOD Single : A 72 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.19) USER MOD Single : A 78 ASN : amide:sc=-0.00909 X(o=-0.0091,f=0) USER MOD Single : A 79 GLN : amide:sc= 0.663 K(o=0.66,f=-0.92) USER MOD Single : A 87 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.39) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 0.083 -0.033 1.709 1.00 0.00 N ATOM 2 CA THR A 4 1.530 0.136 1.661 1.00 0.00 C ATOM 3 C THR A 4 1.908 1.601 1.487 1.00 0.00 C ATOM 4 O THR A 4 1.074 2.427 1.115 1.00 0.00 O ATOM 5 CB THR A 4 2.157 -0.685 0.519 1.00 0.00 C ATOM 6 OG1 THR A 4 1.733 -0.154 -0.743 1.00 0.00 O ATOM 7 CG2 THR A 4 1.738 -2.144 0.618 1.00 0.00 C ATOM 0 HA THR A 4 1.920 -0.226 2.612 1.00 0.00 H new ATOM 0 HB THR A 4 3.242 -0.623 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.762 -0.025 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.191 -2.709 -0.197 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.070 -2.554 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.652 -2.216 0.550 1.00 0.00 H new ATOM 15 N PRO A 5 3.170 1.918 1.758 1.00 0.00 N ATOM 16 CA PRO A 5 3.669 3.279 1.600 1.00 0.00 C ATOM 17 C PRO A 5 3.417 3.798 0.190 1.00 0.00 C ATOM 18 O PRO A 5 3.226 4.996 -0.017 1.00 0.00 O ATOM 19 CB PRO A 5 5.164 3.168 1.914 1.00 0.00 C ATOM 20 CG PRO A 5 5.270 1.976 2.803 1.00 0.00 C ATOM 21 CD PRO A 5 4.229 1.010 2.299 1.00 0.00 C ATOM 0 HA PRO A 5 3.167 3.991 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.752 3.039 1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.534 4.066 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.267 1.539 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.087 2.244 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.628 0.350 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.847 0.374 3.097 1.00 0.00 H new ATOM 29 N SER A 6 3.417 2.888 -0.779 1.00 0.00 N ATOM 30 CA SER A 6 3.281 3.263 -2.182 1.00 0.00 C ATOM 31 C SER A 6 1.849 3.668 -2.506 1.00 0.00 C ATOM 32 O SER A 6 1.596 4.351 -3.498 1.00 0.00 O ATOM 33 CB SER A 6 3.719 2.118 -3.073 1.00 0.00 C ATOM 34 OG SER A 6 2.816 1.047 -3.038 1.00 0.00 O ATOM 0 H SER A 6 3.510 1.885 -0.618 1.00 0.00 H new ATOM 0 HA SER A 6 3.924 4.123 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.818 2.475 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.704 1.772 -2.759 1.00 0.00 H new ATOM 0 HG SER A 6 2.617 0.817 -2.106 1.00 0.00 H new ATOM 40 N ASP A 7 0.913 3.243 -1.662 1.00 0.00 N ATOM 41 CA ASP A 7 -0.490 3.602 -1.830 1.00 0.00 C ATOM 42 C ASP A 7 -0.764 5.010 -1.319 1.00 0.00 C ATOM 43 O ASP A 7 -1.587 5.735 -1.878 1.00 0.00 O ATOM 44 CB ASP A 7 -1.391 2.597 -1.110 1.00 0.00 C ATOM 45 CG ASP A 7 -1.367 1.193 -1.702 1.00 0.00 C ATOM 46 OD1 ASP A 7 -1.499 1.071 -2.896 1.00 0.00 O ATOM 47 OD2 ASP A 7 -1.061 0.272 -0.983 1.00 0.00 O ATOM 0 H ASP A 7 1.102 2.649 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.714 3.577 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.090 2.542 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.416 2.968 -1.128 1.00 0.00 H new ATOM 52 N HIS A 8 -0.068 5.393 -0.253 1.00 0.00 N ATOM 53 CA HIS A 8 -0.136 6.757 0.256 1.00 0.00 C ATOM 54 C HIS A 8 0.747 7.694 -0.559 1.00 0.00 C ATOM 55 O HIS A 8 0.484 8.893 -0.643 1.00 0.00 O ATOM 56 CB HIS A 8 0.273 6.804 1.733 1.00 0.00 C ATOM 57 CG HIS A 8 -0.680 6.095 2.644 1.00 0.00 C ATOM 58 ND1 HIS A 8 -1.892 6.636 3.019 1.00 0.00 N ATOM 59 CD2 HIS A 8 -0.600 4.889 3.254 1.00 0.00 C ATOM 60 CE1 HIS A 8 -2.516 5.791 3.822 1.00 0.00 C ATOM 61 NE2 HIS A 8 -1.753 4.725 3.980 1.00 0.00 N ATOM 0 H HIS A 8 0.550 4.777 0.275 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.169 7.093 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.263 6.361 1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.354 7.845 2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.218 4.187 3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.485 5.946 4.272 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.983 3.911 4.550 1.00 0.00 H new ATOM 69 N LEU A 9 1.796 7.139 -1.156 1.00 0.00 N ATOM 70 CA LEU A 9 2.677 7.910 -2.026 1.00 0.00 C ATOM 71 C LEU A 9 1.928 8.439 -3.242 1.00 0.00 C ATOM 72 O LEU A 9 1.932 9.639 -3.513 1.00 0.00 O ATOM 73 CB LEU A 9 3.871 7.052 -2.465 1.00 0.00 C ATOM 74 CG LEU A 9 4.789 7.697 -3.510 1.00 0.00 C ATOM 75 CD1 LEU A 9 5.382 8.986 -2.960 1.00 0.00 C ATOM 76 CD2 LEU A 9 5.889 6.718 -3.895 1.00 0.00 C ATOM 0 H LEU A 9 2.057 6.158 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 9 3.045 8.767 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.465 6.807 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.494 6.112 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 9 4.210 7.941 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.032 9.436 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.578 9.680 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.960 8.767 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.541 7.177 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.472 6.459 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.443 5.815 -4.312 1.00 0.00 H new ATOM 88 N LEU A 10 1.287 7.534 -3.974 1.00 0.00 N ATOM 89 CA LEU A 10 0.581 7.899 -5.197 1.00 0.00 C ATOM 90 C LEU A 10 -0.600 8.814 -4.900 1.00 0.00 C ATOM 91 O LEU A 10 -0.927 9.698 -5.690 1.00 0.00 O ATOM 92 CB LEU A 10 0.107 6.638 -5.931 1.00 0.00 C ATOM 93 CG LEU A 10 1.223 5.778 -6.538 1.00 0.00 C ATOM 94 CD1 LEU A 10 0.644 4.480 -7.083 1.00 0.00 C ATOM 95 CD2 LEU A 10 1.928 6.559 -7.637 1.00 0.00 C ATOM 0 H LEU A 10 1.242 6.542 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 10 1.274 8.444 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.465 6.025 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.575 6.935 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 10 1.950 5.528 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.444 3.876 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.166 3.927 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.093 4.706 -7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.721 5.947 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.210 6.822 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.359 7.468 -7.218 1.00 0.00 H new ATOM 107 N SER A 11 -1.237 8.596 -3.754 1.00 0.00 N ATOM 108 CA SER A 11 -2.340 9.444 -3.317 1.00 0.00 C ATOM 109 C SER A 11 -1.866 10.864 -3.037 1.00 0.00 C ATOM 110 O SER A 11 -2.527 11.835 -3.408 1.00 0.00 O ATOM 111 CB SER A 11 -2.996 8.854 -2.084 1.00 0.00 C ATOM 112 OG SER A 11 -4.052 9.648 -1.618 1.00 0.00 O ATOM 0 H SER A 11 -1.008 7.838 -3.111 1.00 0.00 H new ATOM 0 HA SER A 11 -3.073 9.488 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.368 7.856 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.251 8.743 -1.296 1.00 0.00 H new ATOM 0 HG SER A 11 -4.448 9.232 -0.824 1.00 0.00 H new ATOM 118 N THR A 12 -0.715 10.981 -2.383 1.00 0.00 N ATOM 119 CA THR A 12 -0.140 12.283 -2.068 1.00 0.00 C ATOM 120 C THR A 12 0.230 13.042 -3.336 1.00 0.00 C ATOM 121 O THR A 12 -0.032 14.239 -3.453 1.00 0.00 O ATOM 122 CB THR A 12 1.109 12.150 -1.178 1.00 0.00 C ATOM 123 OG1 THR A 12 0.739 11.594 0.090 1.00 0.00 O ATOM 124 CG2 THR A 12 1.759 13.508 -0.963 1.00 0.00 C ATOM 0 H THR A 12 -0.161 10.188 -2.060 1.00 0.00 H new ATOM 0 HA THR A 12 -0.903 12.840 -1.524 1.00 0.00 H new ATOM 0 HB THR A 12 1.822 11.493 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.608 10.627 -0.002 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.640 13.394 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.054 13.927 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.049 14.178 -0.478 1.00 0.00 H new ATOM 132 N LEU A 13 0.841 12.338 -4.283 1.00 0.00 N ATOM 133 CA LEU A 13 1.261 12.948 -5.539 1.00 0.00 C ATOM 134 C LEU A 13 0.067 13.231 -6.441 1.00 0.00 C ATOM 135 O LEU A 13 0.118 14.115 -7.297 1.00 0.00 O ATOM 136 CB LEU A 13 2.269 12.042 -6.257 1.00 0.00 C ATOM 137 CG LEU A 13 3.633 11.908 -5.568 1.00 0.00 C ATOM 138 CD1 LEU A 13 4.499 10.903 -6.314 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.312 13.270 -5.515 1.00 0.00 C ATOM 0 H LEU A 13 1.056 11.344 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 13 1.740 13.899 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.832 11.049 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.425 12.426 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 13 3.491 11.546 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.465 10.815 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.005 9.931 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.648 11.242 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.281 13.175 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.453 13.646 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.689 13.966 -4.953 1.00 0.00 H new ATOM 151 N GLU A 14 -1.009 12.475 -6.245 1.00 0.00 N ATOM 152 CA GLU A 14 -2.273 12.755 -6.913 1.00 0.00 C ATOM 153 C GLU A 14 -2.888 14.053 -6.406 1.00 0.00 C ATOM 154 O GLU A 14 -3.437 14.836 -7.183 1.00 0.00 O ATOM 155 CB GLU A 14 -3.253 11.597 -6.712 1.00 0.00 C ATOM 156 CG GLU A 14 -4.588 11.771 -7.422 1.00 0.00 C ATOM 157 CD GLU A 14 -5.459 10.557 -7.255 1.00 0.00 C ATOM 158 OE1 GLU A 14 -5.026 9.620 -6.628 1.00 0.00 O ATOM 159 OE2 GLU A 14 -6.597 10.608 -7.657 1.00 0.00 O ATOM 0 H GLU A 14 -1.030 11.663 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.069 12.867 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.786 10.677 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.437 11.474 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.102 12.647 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.417 11.955 -8.483 1.00 0.00 H new ATOM 166 N GLU A 15 -2.794 14.277 -5.101 1.00 0.00 N ATOM 167 CA GLU A 15 -3.292 15.507 -4.495 1.00 0.00 C ATOM 168 C GLU A 15 -2.398 16.691 -4.837 1.00 0.00 C ATOM 169 O GLU A 15 -2.857 17.832 -4.898 1.00 0.00 O ATOM 170 CB GLU A 15 -3.401 15.351 -2.977 1.00 0.00 C ATOM 171 CG GLU A 15 -4.514 14.419 -2.519 1.00 0.00 C ATOM 172 CD GLU A 15 -5.859 14.910 -2.976 1.00 0.00 C ATOM 173 OE1 GLU A 15 -6.179 16.043 -2.709 1.00 0.00 O ATOM 174 OE2 GLU A 15 -6.521 14.190 -3.687 1.00 0.00 O ATOM 0 H GLU A 15 -2.377 13.622 -4.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.284 15.701 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.451 14.979 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.561 16.334 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.337 13.418 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.503 14.342 -1.432 1.00 0.00 H new ATOM 181 N LEU A 16 -1.118 16.415 -5.061 1.00 0.00 N ATOM 182 CA LEU A 16 -0.160 17.454 -5.419 1.00 0.00 C ATOM 183 C LEU A 16 -0.592 18.192 -6.679 1.00 0.00 C ATOM 184 O LEU A 16 -0.815 17.578 -7.723 1.00 0.00 O ATOM 185 CB LEU A 16 1.236 16.847 -5.608 1.00 0.00 C ATOM 186 CG LEU A 16 2.336 17.845 -5.993 1.00 0.00 C ATOM 187 CD1 LEU A 16 2.456 18.925 -4.927 1.00 0.00 C ATOM 188 CD2 LEU A 16 3.654 17.107 -6.164 1.00 0.00 C ATOM 0 H LEU A 16 -0.719 15.478 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.124 18.176 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.527 16.350 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.179 16.078 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 16 2.078 18.325 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.239 19.629 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.507 19.454 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.707 18.466 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.435 17.816 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.921 16.617 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.552 16.358 -6.950 1.00 0.00 H new ATOM 200 N VAL A 17 -0.710 19.512 -6.575 1.00 0.00 N ATOM 201 CA VAL A 17 -1.144 20.332 -7.699 1.00 0.00 C ATOM 202 C VAL A 17 -0.168 20.231 -8.865 1.00 0.00 C ATOM 203 O VAL A 17 1.042 20.369 -8.688 1.00 0.00 O ATOM 204 CB VAL A 17 -1.294 21.810 -7.295 1.00 0.00 C ATOM 205 CG1 VAL A 17 -1.649 22.661 -8.505 1.00 0.00 C ATOM 206 CG2 VAL A 17 -2.350 21.962 -6.211 1.00 0.00 C ATOM 0 H VAL A 17 -0.511 20.036 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.116 19.949 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.339 22.156 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.751 23.702 -8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.860 22.577 -9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.591 22.314 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.442 23.013 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.308 21.598 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.058 21.384 -5.334 1.00 0.00 H new ATOM 216 N PRO A 18 -0.703 19.990 -10.058 1.00 0.00 N ATOM 217 CA PRO A 18 0.126 19.745 -11.232 1.00 0.00 C ATOM 218 C PRO A 18 1.175 20.836 -11.404 1.00 0.00 C ATOM 219 O PRO A 18 2.307 20.565 -11.801 1.00 0.00 O ATOM 220 CB PRO A 18 -0.872 19.716 -12.394 1.00 0.00 C ATOM 221 CG PRO A 18 -2.128 19.183 -11.793 1.00 0.00 C ATOM 222 CD PRO A 18 -2.168 19.741 -10.395 1.00 0.00 C ATOM 0 HA PRO A 18 0.695 18.818 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.023 20.711 -12.812 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.519 19.079 -13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.001 19.495 -12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.127 18.093 -11.782 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.751 20.661 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.625 19.039 -9.697 1.00 0.00 H new ATOM 230 N TYR A 19 0.791 22.072 -11.104 1.00 0.00 N ATOM 231 CA TYR A 19 1.713 23.199 -11.172 1.00 0.00 C ATOM 232 C TYR A 19 2.968 22.934 -10.353 1.00 0.00 C ATOM 233 O TYR A 19 4.087 23.113 -10.837 1.00 0.00 O ATOM 234 CB TYR A 19 1.029 24.480 -10.686 1.00 0.00 C ATOM 235 CG TYR A 19 1.954 25.674 -10.602 1.00 0.00 C ATOM 236 CD1 TYR A 19 2.401 26.311 -11.750 1.00 0.00 C ATOM 237 CD2 TYR A 19 2.376 26.161 -9.374 1.00 0.00 C ATOM 238 CE1 TYR A 19 3.246 27.402 -11.679 1.00 0.00 C ATOM 239 CE2 TYR A 19 3.221 27.251 -9.291 1.00 0.00 C ATOM 240 CZ TYR A 19 3.653 27.869 -10.446 1.00 0.00 C ATOM 241 OH TYR A 19 4.494 28.956 -10.369 1.00 0.00 O ATOM 0 H TYR A 19 -0.154 22.319 -10.811 1.00 0.00 H new ATOM 0 HA TYR A 19 2.007 23.327 -12.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.205 24.718 -11.358 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.596 24.298 -9.702 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.083 25.948 -12.716 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.039 25.680 -8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.586 27.886 -12.583 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.542 27.617 -8.327 1.00 0.00 H new ATOM 0 HH TYR A 19 4.320 29.446 -9.539 1.00 0.00 H new ATOM 251 N ASP A 20 2.778 22.507 -9.109 1.00 0.00 N ATOM 252 CA ASP A 20 3.897 22.211 -8.222 1.00 0.00 C ATOM 253 C ASP A 20 4.427 20.802 -8.453 1.00 0.00 C ATOM 254 O ASP A 20 5.539 20.472 -8.039 1.00 0.00 O ATOM 255 CB ASP A 20 3.480 22.383 -6.758 1.00 0.00 C ATOM 256 CG ASP A 20 3.380 23.831 -6.298 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.859 24.691 -6.998 1.00 0.00 O ATOM 258 OD2 ASP A 20 2.695 24.081 -5.335 1.00 0.00 O ATOM 0 H ASP A 20 1.859 22.358 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 20 4.697 22.916 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.514 21.900 -6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.198 21.862 -6.125 1.00 0.00 H new ATOM 263 N PHE A 21 3.627 19.976 -9.117 1.00 0.00 N ATOM 264 CA PHE A 21 4.038 18.620 -9.456 1.00 0.00 C ATOM 265 C PHE A 21 5.093 18.622 -10.555 1.00 0.00 C ATOM 266 O PHE A 21 5.942 17.733 -10.616 1.00 0.00 O ATOM 267 CB PHE A 21 2.829 17.788 -9.889 1.00 0.00 C ATOM 268 CG PHE A 21 3.037 16.305 -9.764 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.280 15.792 -9.426 1.00 0.00 C ATOM 270 CD2 PHE A 21 1.992 15.421 -9.985 1.00 0.00 C ATOM 271 CE1 PHE A 21 4.473 14.427 -9.311 1.00 0.00 C ATOM 272 CE2 PHE A 21 2.181 14.058 -9.870 1.00 0.00 C ATOM 273 CZ PHE A 21 3.424 13.561 -9.533 1.00 0.00 C ATOM 0 H PHE A 21 2.689 20.223 -9.432 1.00 0.00 H new ATOM 0 HA PHE A 21 4.477 18.171 -8.565 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.967 18.077 -9.287 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.589 18.026 -10.925 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.106 16.465 -9.251 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.018 15.803 -10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.446 14.040 -9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.357 13.381 -10.044 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.574 12.495 -9.443 1.00 0.00 H new ATOM 283 N GLU A 22 5.034 19.626 -11.422 1.00 0.00 N ATOM 284 CA GLU A 22 6.103 19.874 -12.382 1.00 0.00 C ATOM 285 C GLU A 22 7.373 20.340 -11.682 1.00 0.00 C ATOM 286 O GLU A 22 8.481 19.992 -12.089 1.00 0.00 O ATOM 287 CB GLU A 22 5.664 20.910 -13.418 1.00 0.00 C ATOM 288 CG GLU A 22 4.614 20.410 -14.402 1.00 0.00 C ATOM 289 CD GLU A 22 5.117 19.230 -15.184 1.00 0.00 C ATOM 290 OE1 GLU A 22 6.176 19.329 -15.758 1.00 0.00 O ATOM 291 OE2 GLU A 22 4.501 18.192 -15.118 1.00 0.00 O ATOM 0 H GLU A 22 4.256 20.283 -11.480 1.00 0.00 H new ATOM 0 HA GLU A 22 6.318 18.935 -12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.270 21.782 -12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.540 21.241 -13.977 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.709 20.132 -13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.342 21.213 -15.087 1.00 0.00 H new ATOM 298 N LYS A 23 7.205 21.130 -10.626 1.00 0.00 N ATOM 299 CA LYS A 23 8.332 21.573 -9.814 1.00 0.00 C ATOM 300 C LYS A 23 8.899 20.427 -8.986 1.00 0.00 C ATOM 301 O LYS A 23 10.089 20.405 -8.672 1.00 0.00 O ATOM 302 CB LYS A 23 7.912 22.725 -8.899 1.00 0.00 C ATOM 303 CG LYS A 23 7.569 24.016 -9.630 1.00 0.00 C ATOM 304 CD LYS A 23 7.183 25.118 -8.656 1.00 0.00 C ATOM 305 CE LYS A 23 6.777 26.388 -9.389 1.00 0.00 C ATOM 306 NZ LYS A 23 6.409 27.481 -8.447 1.00 0.00 N ATOM 0 H LYS A 23 6.298 21.477 -10.313 1.00 0.00 H new ATOM 0 HA LYS A 23 9.112 21.923 -10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.047 22.412 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.718 22.925 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.424 24.337 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.747 23.836 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.359 24.779 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.022 25.331 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.598 26.718 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.933 26.174 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.543 27.950 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.244 27.083 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.183 28.174 -8.400 1.00 0.00 H new ATOM 320 N PHE A 24 8.041 19.475 -8.636 1.00 0.00 N ATOM 321 CA PHE A 24 8.477 18.260 -7.958 1.00 0.00 C ATOM 322 C PHE A 24 9.562 17.545 -8.754 1.00 0.00 C ATOM 323 O PHE A 24 10.609 17.190 -8.212 1.00 0.00 O ATOM 324 CB PHE A 24 7.291 17.323 -7.725 1.00 0.00 C ATOM 325 CG PHE A 24 7.652 16.059 -6.998 1.00 0.00 C ATOM 326 CD1 PHE A 24 8.058 14.932 -7.695 1.00 0.00 C ATOM 327 CD2 PHE A 24 7.587 15.996 -5.613 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.389 13.768 -7.029 1.00 0.00 C ATOM 329 CE2 PHE A 24 7.919 14.833 -4.944 1.00 0.00 C ATOM 330 CZ PHE A 24 8.320 13.720 -5.651 1.00 0.00 C ATOM 0 H PHE A 24 7.037 19.522 -8.811 1.00 0.00 H new ATOM 0 HA PHE A 24 8.896 18.547 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.527 17.853 -7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.849 17.064 -8.687 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.116 14.964 -8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.274 16.864 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.701 12.897 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.864 14.796 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.580 12.812 -5.128 1.00 0.00 H new ATOM 340 N LYS A 25 9.306 17.339 -10.041 1.00 0.00 N ATOM 341 CA LYS A 25 10.301 16.762 -10.937 1.00 0.00 C ATOM 342 C LYS A 25 11.576 17.593 -10.953 1.00 0.00 C ATOM 343 O LYS A 25 12.680 17.058 -10.849 1.00 0.00 O ATOM 344 CB LYS A 25 9.737 16.635 -12.353 1.00 0.00 C ATOM 345 CG LYS A 25 10.731 16.115 -13.382 1.00 0.00 C ATOM 346 CD LYS A 25 10.099 16.014 -14.762 1.00 0.00 C ATOM 347 CE LYS A 25 9.298 14.728 -14.910 1.00 0.00 C ATOM 348 NZ LYS A 25 8.845 14.514 -16.311 1.00 0.00 N ATOM 0 H LYS A 25 8.417 17.563 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 25 10.548 15.768 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.875 15.968 -12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.376 17.611 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.595 16.778 -13.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.096 15.135 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.448 16.872 -14.930 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.877 16.050 -15.524 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.908 13.882 -14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.432 14.762 -14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.438 13.561 -16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.125 15.223 -16.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.655 14.608 -16.956 1.00 0.00 H new ATOM 362 N PHE A 26 11.418 18.906 -11.087 1.00 0.00 N ATOM 363 CA PHE A 26 12.558 19.814 -11.134 1.00 0.00 C ATOM 364 C PHE A 26 13.443 19.653 -9.904 1.00 0.00 C ATOM 365 O PHE A 26 14.667 19.583 -10.013 1.00 0.00 O ATOM 366 CB PHE A 26 12.083 21.263 -11.255 1.00 0.00 C ATOM 367 CG PHE A 26 13.201 22.265 -11.319 1.00 0.00 C ATOM 368 CD1 PHE A 26 13.879 22.492 -12.507 1.00 0.00 C ATOM 369 CD2 PHE A 26 13.578 22.980 -10.192 1.00 0.00 C ATOM 370 CE1 PHE A 26 14.909 23.413 -12.568 1.00 0.00 C ATOM 371 CE2 PHE A 26 14.604 23.902 -10.250 1.00 0.00 C ATOM 372 CZ PHE A 26 15.271 24.118 -11.440 1.00 0.00 C ATOM 0 H PHE A 26 10.510 19.365 -11.165 1.00 0.00 H new ATOM 0 HA PHE A 26 13.150 19.561 -12.014 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.469 21.360 -12.150 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.445 21.499 -10.403 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.600 21.944 -13.394 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.063 22.814 -9.258 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.430 23.580 -13.499 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.885 24.454 -9.365 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.075 24.838 -11.487 1.00 0.00 H new ATOM 382 N LYS A 27 12.815 19.594 -8.734 1.00 0.00 N ATOM 383 CA LYS A 27 13.547 19.533 -7.476 1.00 0.00 C ATOM 384 C LYS A 27 14.056 18.124 -7.202 1.00 0.00 C ATOM 385 O LYS A 27 15.091 17.940 -6.561 1.00 0.00 O ATOM 386 CB LYS A 27 12.665 20.007 -6.319 1.00 0.00 C ATOM 387 CG LYS A 27 12.357 21.498 -6.332 1.00 0.00 C ATOM 388 CD LYS A 27 13.623 22.325 -6.162 1.00 0.00 C ATOM 389 CE LYS A 27 13.310 23.813 -6.113 1.00 0.00 C ATOM 390 NZ LYS A 27 14.534 24.633 -5.905 1.00 0.00 N ATOM 0 H LYS A 27 11.800 19.587 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 27 14.408 20.196 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.726 19.454 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.156 19.758 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.870 21.763 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.656 21.734 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.133 22.028 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.306 22.122 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.826 24.113 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.602 24.008 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.277 25.640 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.982 24.366 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.200 24.467 -6.686 1.00 0.00 H new ATOM 404 N LEU A 28 13.324 17.130 -7.694 1.00 0.00 N ATOM 405 CA LEU A 28 13.745 15.739 -7.580 1.00 0.00 C ATOM 406 C LEU A 28 15.123 15.528 -8.193 1.00 0.00 C ATOM 407 O LEU A 28 15.948 14.792 -7.651 1.00 0.00 O ATOM 408 CB LEU A 28 12.717 14.817 -8.249 1.00 0.00 C ATOM 409 CG LEU A 28 13.057 13.322 -8.209 1.00 0.00 C ATOM 410 CD1 LEU A 28 13.124 12.839 -6.767 1.00 0.00 C ATOM 411 CD2 LEU A 28 12.011 12.541 -8.991 1.00 0.00 C ATOM 0 H LEU A 28 12.435 17.263 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 28 13.807 15.491 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.751 14.967 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.604 15.120 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 28 14.032 13.159 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.366 11.776 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.894 13.395 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.160 12.999 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.253 11.479 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.029 12.701 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.000 12.883 -10.026 1.00 0.00 H new ATOM 423 N GLN A 29 15.366 16.178 -9.326 1.00 0.00 N ATOM 424 CA GLN A 29 16.665 16.108 -9.986 1.00 0.00 C ATOM 425 C GLN A 29 17.751 16.753 -9.135 1.00 0.00 C ATOM 426 O GLN A 29 18.924 16.391 -9.228 1.00 0.00 O ATOM 427 CB GLN A 29 16.608 16.789 -11.355 1.00 0.00 C ATOM 428 CG GLN A 29 15.775 16.047 -12.386 1.00 0.00 C ATOM 429 CD GLN A 29 15.614 16.831 -13.675 1.00 0.00 C ATOM 430 OE1 GLN A 29 16.152 17.932 -13.818 1.00 0.00 O ATOM 431 NE2 GLN A 29 14.869 16.269 -14.619 1.00 0.00 N ATOM 0 H GLN A 29 14.680 16.760 -9.807 1.00 0.00 H new ATOM 0 HA GLN A 29 16.912 15.055 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.203 17.793 -11.232 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.623 16.899 -11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.243 15.087 -12.604 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.791 15.834 -11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.443 15.356 -14.457 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.722 16.750 -15.507 1.00 0.00 H new ATOM 440 N ASN A 30 17.354 17.713 -8.306 1.00 0.00 N ATOM 441 CA ASN A 30 18.301 18.451 -7.479 1.00 0.00 C ATOM 442 C ASN A 30 18.303 17.931 -6.047 1.00 0.00 C ATOM 443 O ASN A 30 18.867 18.557 -5.150 1.00 0.00 O ATOM 444 CB ASN A 30 18.010 19.940 -7.496 1.00 0.00 C ATOM 445 CG ASN A 30 18.241 20.587 -8.833 1.00 0.00 C ATOM 446 OD1 ASN A 30 19.367 20.620 -9.343 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.199 21.171 -9.366 1.00 0.00 N ATOM 0 H ASN A 30 16.382 17.998 -8.189 1.00 0.00 H new ATOM 0 HA ASN A 30 19.292 18.293 -7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.974 20.102 -7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 30 18.636 20.432 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.294 21.683 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.291 21.114 -8.905 1.00 0.00 H new ATOM 454 N THR A 31 17.669 16.783 -5.839 1.00 0.00 N ATOM 455 CA THR A 31 17.592 16.178 -4.514 1.00 0.00 C ATOM 456 C THR A 31 18.379 14.876 -4.456 1.00 0.00 C ATOM 457 O THR A 31 18.318 14.061 -5.375 1.00 0.00 O ATOM 458 CB THR A 31 16.134 15.904 -4.101 1.00 0.00 C ATOM 459 OG1 THR A 31 15.404 17.137 -4.065 1.00 0.00 O ATOM 460 CG2 THR A 31 16.082 15.247 -2.731 1.00 0.00 C ATOM 0 H THR A 31 17.200 16.251 -6.572 1.00 0.00 H new ATOM 0 HA THR A 31 18.028 16.894 -3.817 1.00 0.00 H new ATOM 0 HB THR A 31 15.686 15.231 -4.832 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.971 17.286 -4.931 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.044 15.061 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.625 14.302 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.540 15.906 -1.994 1.00 0.00 H new ATOM 468 N SER A 32 19.119 14.686 -3.369 1.00 0.00 N ATOM 469 CA SER A 32 19.925 13.484 -3.190 1.00 0.00 C ATOM 470 C SER A 32 19.070 12.315 -2.716 1.00 0.00 C ATOM 471 O SER A 32 17.939 12.502 -2.269 1.00 0.00 O ATOM 472 CB SER A 32 21.048 13.749 -2.208 1.00 0.00 C ATOM 473 OG SER A 32 20.571 13.980 -0.911 1.00 0.00 O ATOM 0 H SER A 32 19.177 15.350 -2.597 1.00 0.00 H new ATOM 0 HA SER A 32 20.355 13.216 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 32 21.728 12.897 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.624 14.612 -2.541 1.00 0.00 H new ATOM 0 HG SER A 32 21.327 14.145 -0.309 1.00 0.00 H new ATOM 479 N VAL A 33 19.619 11.109 -2.817 1.00 0.00 N ATOM 480 CA VAL A 33 18.893 9.903 -2.437 1.00 0.00 C ATOM 481 C VAL A 33 19.674 9.089 -1.413 1.00 0.00 C ATOM 482 O VAL A 33 20.798 9.442 -1.053 1.00 0.00 O ATOM 483 CB VAL A 33 18.589 9.016 -3.658 1.00 0.00 C ATOM 484 CG1 VAL A 33 17.728 9.769 -4.661 1.00 0.00 C ATOM 485 CG2 VAL A 33 19.880 8.550 -4.312 1.00 0.00 C ATOM 0 H VAL A 33 20.565 10.941 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 33 17.952 10.231 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 33 18.038 8.139 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.522 9.128 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.788 10.057 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.255 10.663 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.646 7.924 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.456 9.416 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.465 7.975 -3.594 1.00 0.00 H new ATOM 495 N GLN A 34 19.075 7.999 -0.947 1.00 0.00 N ATOM 496 CA GLN A 34 19.749 7.084 -0.035 1.00 0.00 C ATOM 497 C GLN A 34 21.042 6.556 -0.641 1.00 0.00 C ATOM 498 O GLN A 34 21.059 6.082 -1.778 1.00 0.00 O ATOM 499 CB GLN A 34 18.831 5.913 0.325 1.00 0.00 C ATOM 500 CG GLN A 34 19.405 4.969 1.369 1.00 0.00 C ATOM 501 CD GLN A 34 19.530 5.622 2.733 1.00 0.00 C ATOM 502 OE1 GLN A 34 18.660 6.391 3.149 1.00 0.00 O ATOM 503 NE2 GLN A 34 20.617 5.320 3.434 1.00 0.00 N ATOM 0 H GLN A 34 18.122 7.727 -1.187 1.00 0.00 H new ATOM 0 HA GLN A 34 19.993 7.639 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.883 6.308 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 34 18.612 5.346 -0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 34 18.768 4.088 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 34 20.386 4.624 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 34 21.310 4.678 3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 34 20.759 5.730 4.357 1.00 0.00 H new ATOM 512 N LYS A 35 22.126 6.639 0.124 1.00 0.00 N ATOM 513 CA LYS A 35 23.457 6.356 -0.400 1.00 0.00 C ATOM 514 C LYS A 35 23.596 4.890 -0.787 1.00 0.00 C ATOM 515 O LYS A 35 24.497 4.520 -1.540 1.00 0.00 O ATOM 516 CB LYS A 35 24.527 6.732 0.626 1.00 0.00 C ATOM 517 CG LYS A 35 24.654 8.228 0.882 1.00 0.00 C ATOM 518 CD LYS A 35 25.719 8.523 1.929 1.00 0.00 C ATOM 519 CE LYS A 35 25.867 10.019 2.162 1.00 0.00 C ATOM 520 NZ LYS A 35 26.894 10.321 3.197 1.00 0.00 N ATOM 0 H LYS A 35 22.108 6.900 1.110 1.00 0.00 H new ATOM 0 HA LYS A 35 23.598 6.960 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 35 24.301 6.232 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 35 25.490 6.351 0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.905 8.738 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 23.695 8.625 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 35 25.457 8.031 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 35 26.674 8.107 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 35 26.140 10.507 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 35 24.908 10.435 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 26.964 11.351 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 26.621 9.877 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 27.815 9.947 2.892 1.00 0.00 H new ATOM 534 N GLU A 36 22.700 4.058 -0.268 1.00 0.00 N ATOM 535 CA GLU A 36 22.716 2.631 -0.567 1.00 0.00 C ATOM 536 C GLU A 36 22.547 2.378 -2.059 1.00 0.00 C ATOM 537 O GLU A 36 23.061 1.395 -2.594 1.00 0.00 O ATOM 538 CB GLU A 36 21.618 1.907 0.217 1.00 0.00 C ATOM 539 CG GLU A 36 21.867 1.825 1.717 1.00 0.00 C ATOM 540 CD GLU A 36 20.709 1.182 2.427 1.00 0.00 C ATOM 541 OE1 GLU A 36 19.732 0.885 1.783 1.00 0.00 O ATOM 542 OE2 GLU A 36 20.842 0.884 3.591 1.00 0.00 O ATOM 0 H GLU A 36 21.953 4.348 0.363 1.00 0.00 H new ATOM 0 HA GLU A 36 23.686 2.238 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.670 2.416 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 36 21.513 0.896 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 36 22.776 1.253 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 36 22.031 2.826 2.116 1.00 0.00 H new ATOM 549 N HIS A 37 21.824 3.270 -2.727 1.00 0.00 N ATOM 550 CA HIS A 37 21.535 3.114 -4.147 1.00 0.00 C ATOM 551 C HIS A 37 21.952 4.350 -4.934 1.00 0.00 C ATOM 552 O HIS A 37 21.896 5.469 -4.425 1.00 0.00 O ATOM 553 CB HIS A 37 20.046 2.831 -4.368 1.00 0.00 C ATOM 554 CG HIS A 37 19.561 1.592 -3.682 1.00 0.00 C ATOM 555 ND1 HIS A 37 19.768 0.329 -4.195 1.00 0.00 N ATOM 556 CD2 HIS A 37 18.878 1.422 -2.525 1.00 0.00 C ATOM 557 CE1 HIS A 37 19.233 -0.566 -3.381 1.00 0.00 C ATOM 558 NE2 HIS A 37 18.687 0.073 -2.362 1.00 0.00 N ATOM 0 H HIS A 37 21.427 4.110 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 37 22.114 2.265 -4.510 1.00 0.00 H new ATOM 0 HB2 HIS A 37 19.467 3.683 -4.012 1.00 0.00 H new ATOM 0 HB3 HIS A 37 19.857 2.741 -5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 37 18.546 2.202 -1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 37 19.241 -1.636 -3.525 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.201 -0.366 -1.580 1.00 0.00 H new ATOM 566 N SER A 38 22.372 4.140 -6.177 1.00 0.00 N ATOM 567 CA SER A 38 22.722 5.243 -7.063 1.00 0.00 C ATOM 568 C SER A 38 21.496 6.069 -7.427 1.00 0.00 C ATOM 569 O SER A 38 20.418 5.525 -7.666 1.00 0.00 O ATOM 570 CB SER A 38 23.394 4.713 -8.316 1.00 0.00 C ATOM 571 OG SER A 38 23.665 5.731 -9.239 1.00 0.00 O ATOM 0 H SER A 38 22.478 3.215 -6.594 1.00 0.00 H new ATOM 0 HA SER A 38 23.418 5.894 -6.535 1.00 0.00 H new ATOM 0 HB2 SER A 38 24.324 4.213 -8.044 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.754 3.964 -8.781 1.00 0.00 H new ATOM 0 HG SER A 38 24.099 5.348 -10.030 1.00 0.00 H new ATOM 577 N ARG A 39 21.667 7.386 -7.469 1.00 0.00 N ATOM 578 CA ARG A 39 20.576 8.291 -7.812 1.00 0.00 C ATOM 579 C ARG A 39 20.081 8.043 -9.232 1.00 0.00 C ATOM 580 O ARG A 39 20.878 7.888 -10.158 1.00 0.00 O ATOM 581 CB ARG A 39 20.951 9.750 -7.599 1.00 0.00 C ATOM 582 CG ARG A 39 19.811 10.738 -7.790 1.00 0.00 C ATOM 583 CD ARG A 39 20.084 12.097 -7.260 1.00 0.00 C ATOM 584 NE ARG A 39 21.021 12.876 -8.054 1.00 0.00 N ATOM 585 CZ ARG A 39 21.165 14.213 -7.975 1.00 0.00 C ATOM 586 NH1 ARG A 39 20.412 14.929 -7.169 1.00 0.00 N ATOM 587 NH2 ARG A 39 22.068 14.792 -8.747 1.00 0.00 N ATOM 0 H ARG A 39 22.552 7.851 -7.269 1.00 0.00 H new ATOM 0 HA ARG A 39 19.754 8.075 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 39 21.347 9.865 -6.590 1.00 0.00 H new ATOM 0 HB3 ARG A 39 21.755 10.008 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.587 10.814 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 39 18.919 10.344 -7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.143 12.643 -7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.474 12.007 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 39 21.611 12.374 -8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.706 14.473 -6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.534 15.941 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 39 22.634 14.228 -9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.199 15.803 -8.709 1.00 0.00 H new ATOM 601 N ILE A 40 18.764 8.007 -9.396 1.00 0.00 N ATOM 602 CA ILE A 40 18.159 7.890 -10.717 1.00 0.00 C ATOM 603 C ILE A 40 18.678 8.971 -11.658 1.00 0.00 C ATOM 604 O ILE A 40 18.624 10.160 -11.343 1.00 0.00 O ATOM 605 CB ILE A 40 16.624 7.979 -10.647 1.00 0.00 C ATOM 606 CG1 ILE A 40 16.057 6.797 -9.855 1.00 0.00 C ATOM 607 CG2 ILE A 40 16.028 8.022 -12.045 1.00 0.00 C ATOM 608 CD1 ILE A 40 14.577 6.907 -9.571 1.00 0.00 C ATOM 0 H ILE A 40 18.094 8.057 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 40 18.439 6.910 -11.104 1.00 0.00 H new ATOM 0 HB ILE A 40 16.354 8.901 -10.132 1.00 0.00 H new ATOM 0 HG12 ILE A 40 16.244 5.877 -10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 40 16.594 6.714 -8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.942 8.085 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 40 16.409 8.894 -12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 40 16.305 7.118 -12.587 1.00 0.00 H new ATOM 0 HD11 ILE A 40 14.249 6.034 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.384 7.808 -8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 40 14.029 6.958 -10.512 1.00 0.00 H new ATOM 620 N PRO A 41 19.180 8.550 -12.814 1.00 0.00 N ATOM 621 CA PRO A 41 19.712 9.481 -13.802 1.00 0.00 C ATOM 622 C PRO A 41 18.690 10.556 -14.152 1.00 0.00 C ATOM 623 O PRO A 41 17.494 10.280 -14.250 1.00 0.00 O ATOM 624 CB PRO A 41 20.052 8.596 -15.006 1.00 0.00 C ATOM 625 CG PRO A 41 20.319 7.253 -14.415 1.00 0.00 C ATOM 626 CD PRO A 41 19.361 7.127 -13.261 1.00 0.00 C ATOM 0 HA PRO A 41 20.583 10.028 -13.440 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.228 8.560 -15.718 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.922 8.974 -15.544 1.00 0.00 H new ATOM 0 HG2 PRO A 41 20.158 6.462 -15.148 1.00 0.00 H new ATOM 0 HG3 PRO A 41 21.352 7.170 -14.079 1.00 0.00 H new ATOM 0 HD2 PRO A 41 18.417 6.677 -13.568 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.768 6.503 -12.465 1.00 0.00 H new ATOM 634 N ARG A 42 19.169 11.781 -14.340 1.00 0.00 N ATOM 635 CA ARG A 42 18.297 12.900 -14.677 1.00 0.00 C ATOM 636 C ARG A 42 17.651 12.703 -16.042 1.00 0.00 C ATOM 637 O ARG A 42 16.540 13.175 -16.286 1.00 0.00 O ATOM 638 CB ARG A 42 19.021 14.236 -14.591 1.00 0.00 C ATOM 639 CG ARG A 42 19.330 14.707 -13.179 1.00 0.00 C ATOM 640 CD ARG A 42 20.125 15.960 -13.111 1.00 0.00 C ATOM 641 NE ARG A 42 20.249 16.521 -11.775 1.00 0.00 N ATOM 642 CZ ARG A 42 21.100 17.511 -11.439 1.00 0.00 C ATOM 643 NH1 ARG A 42 21.928 18.023 -12.323 1.00 0.00 N ATOM 644 NH2 ARG A 42 21.099 17.937 -10.188 1.00 0.00 N ATOM 0 H ARG A 42 20.157 12.024 -14.265 1.00 0.00 H new ATOM 0 HA ARG A 42 17.502 12.923 -13.932 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.956 14.162 -15.147 1.00 0.00 H new ATOM 0 HB3 ARG A 42 18.414 14.994 -15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.391 14.857 -12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.871 13.919 -12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 42 21.123 15.765 -13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 42 19.666 16.703 -13.763 1.00 0.00 H new ATOM 0 HE ARG A 42 19.651 16.139 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 42 21.933 17.671 -13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.565 18.772 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 42 20.466 17.518 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 42 21.732 18.685 -9.903 1.00 0.00 H new ATOM 658 N SER A 43 18.352 12.004 -16.928 1.00 0.00 N ATOM 659 CA SER A 43 17.810 11.669 -18.240 1.00 0.00 C ATOM 660 C SER A 43 16.623 10.722 -18.119 1.00 0.00 C ATOM 661 O SER A 43 15.758 10.681 -18.995 1.00 0.00 O ATOM 662 CB SER A 43 18.890 11.054 -19.108 1.00 0.00 C ATOM 663 OG SER A 43 19.320 9.814 -18.616 1.00 0.00 O ATOM 0 H SER A 43 19.297 11.658 -16.762 1.00 0.00 H new ATOM 0 HA SER A 43 17.459 12.588 -18.708 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.512 10.929 -20.123 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.739 11.735 -19.166 1.00 0.00 H new ATOM 0 HG SER A 43 20.014 9.451 -19.205 1.00 0.00 H new ATOM 669 N GLN A 44 16.587 9.960 -17.031 1.00 0.00 N ATOM 670 CA GLN A 44 15.465 9.072 -16.754 1.00 0.00 C ATOM 671 C GLN A 44 14.327 9.819 -16.070 1.00 0.00 C ATOM 672 O GLN A 44 13.154 9.587 -16.364 1.00 0.00 O ATOM 673 CB GLN A 44 15.914 7.900 -15.877 1.00 0.00 C ATOM 674 CG GLN A 44 16.922 6.976 -16.540 1.00 0.00 C ATOM 675 CD GLN A 44 16.389 6.361 -17.819 1.00 0.00 C ATOM 676 OE1 GLN A 44 15.264 5.854 -17.859 1.00 0.00 O ATOM 677 NE2 GLN A 44 17.196 6.397 -18.873 1.00 0.00 N ATOM 0 H GLN A 44 17.324 9.940 -16.326 1.00 0.00 H new ATOM 0 HA GLN A 44 15.102 8.689 -17.708 1.00 0.00 H new ATOM 0 HB2 GLN A 44 16.349 8.294 -14.958 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.038 7.318 -15.591 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.832 7.534 -16.760 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.195 6.182 -15.845 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.118 6.826 -18.795 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.894 5.995 -19.761 1.00 0.00 H new ATOM 686 N ILE A 45 14.680 10.718 -15.157 1.00 0.00 N ATOM 687 CA ILE A 45 13.689 11.514 -14.443 1.00 0.00 C ATOM 688 C ILE A 45 12.946 12.447 -15.391 1.00 0.00 C ATOM 689 O ILE A 45 11.723 12.569 -15.324 1.00 0.00 O ATOM 690 CB ILE A 45 14.335 12.346 -13.321 1.00 0.00 C ATOM 691 CG1 ILE A 45 14.875 11.431 -12.219 1.00 0.00 C ATOM 692 CG2 ILE A 45 13.334 13.339 -12.750 1.00 0.00 C ATOM 693 CD1 ILE A 45 15.753 12.138 -11.213 1.00 0.00 C ATOM 0 H ILE A 45 15.646 10.913 -14.894 1.00 0.00 H new ATOM 0 HA ILE A 45 12.982 10.812 -14.000 1.00 0.00 H new ATOM 0 HB ILE A 45 15.170 12.905 -13.743 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.035 10.974 -11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.443 10.622 -12.678 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.808 13.919 -11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.997 14.011 -13.539 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.479 12.800 -12.343 1.00 0.00 H new ATOM 0 HD11 ILE A 45 16.097 11.424 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.613 12.572 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.183 12.929 -10.725 1.00 0.00 H new ATOM 705 N GLN A 46 13.691 13.103 -16.274 1.00 0.00 N ATOM 706 CA GLN A 46 13.126 14.125 -17.145 1.00 0.00 C ATOM 707 C GLN A 46 12.011 13.554 -18.013 1.00 0.00 C ATOM 708 O GLN A 46 10.993 14.207 -18.241 1.00 0.00 O ATOM 709 CB GLN A 46 14.213 14.733 -18.035 1.00 0.00 C ATOM 710 CG GLN A 46 13.746 15.914 -18.870 1.00 0.00 C ATOM 711 CD GLN A 46 13.364 17.109 -18.018 1.00 0.00 C ATOM 712 OE1 GLN A 46 14.101 17.504 -17.112 1.00 0.00 O ATOM 713 NE2 GLN A 46 12.204 17.690 -18.304 1.00 0.00 N ATOM 0 H GLN A 46 14.690 12.944 -16.405 1.00 0.00 H new ATOM 0 HA GLN A 46 12.705 14.905 -16.510 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.044 15.053 -17.407 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.596 13.960 -18.701 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.538 16.202 -19.561 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.890 15.613 -19.474 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.626 17.329 -19.063 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.891 18.497 -17.765 1.00 0.00 H new ATOM 722 N ARG A 47 12.211 12.332 -18.495 1.00 0.00 N ATOM 723 CA ARG A 47 11.270 11.710 -19.420 1.00 0.00 C ATOM 724 C ARG A 47 10.265 10.839 -18.679 1.00 0.00 C ATOM 725 O ARG A 47 9.285 10.374 -19.261 1.00 0.00 O ATOM 726 CB ARG A 47 11.977 10.934 -20.521 1.00 0.00 C ATOM 727 CG ARG A 47 12.770 11.787 -21.498 1.00 0.00 C ATOM 728 CD ARG A 47 13.439 11.019 -22.580 1.00 0.00 C ATOM 729 NE ARG A 47 14.108 11.839 -23.576 1.00 0.00 N ATOM 730 CZ ARG A 47 13.498 12.405 -24.636 1.00 0.00 C ATOM 731 NH1 ARG A 47 12.218 12.214 -24.862 1.00 0.00 N ATOM 732 NH2 ARG A 47 14.228 13.140 -25.457 1.00 0.00 N ATOM 0 H ARG A 47 13.017 11.752 -18.260 1.00 0.00 H new ATOM 0 HA ARG A 47 10.719 12.514 -19.907 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.652 10.212 -20.061 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.234 10.365 -21.079 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.100 12.519 -21.949 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.525 12.345 -20.944 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.170 10.346 -22.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.696 10.397 -23.079 1.00 0.00 H new ATOM 0 HE ARG A 47 15.110 11.997 -23.465 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.670 11.630 -24.230 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.772 12.650 -25.669 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.225 13.266 -25.279 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.795 13.581 -26.268 1.00 0.00 H new ATOM 746 N ALA A 48 10.514 10.620 -17.393 1.00 0.00 N ATOM 747 CA ALA A 48 9.614 9.828 -16.563 1.00 0.00 C ATOM 748 C ALA A 48 8.271 10.524 -16.386 1.00 0.00 C ATOM 749 O ALA A 48 8.202 11.751 -16.309 1.00 0.00 O ATOM 750 CB ALA A 48 10.251 9.548 -15.209 1.00 0.00 C ATOM 0 H ALA A 48 11.332 10.980 -16.902 1.00 0.00 H new ATOM 0 HA ALA A 48 9.435 8.880 -17.070 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.567 8.956 -14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.180 8.997 -15.351 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.462 10.491 -14.704 1.00 0.00 H new ATOM 756 N ARG A 49 7.204 9.735 -16.323 1.00 0.00 N ATOM 757 CA ARG A 49 5.876 10.262 -16.034 1.00 0.00 C ATOM 758 C ARG A 49 5.755 10.683 -14.575 1.00 0.00 C ATOM 759 O ARG A 49 6.526 10.236 -13.724 1.00 0.00 O ATOM 760 CB ARG A 49 4.774 9.289 -16.426 1.00 0.00 C ATOM 761 CG ARG A 49 4.622 9.063 -17.922 1.00 0.00 C ATOM 762 CD ARG A 49 3.504 8.158 -18.294 1.00 0.00 C ATOM 763 NE ARG A 49 3.301 8.011 -19.727 1.00 0.00 N ATOM 764 CZ ARG A 49 2.334 7.259 -20.288 1.00 0.00 C ATOM 765 NH1 ARG A 49 1.505 6.557 -19.547 1.00 0.00 N ATOM 766 NH2 ARG A 49 2.255 7.226 -21.607 1.00 0.00 N ATOM 0 H ARG A 49 7.234 8.726 -16.469 1.00 0.00 H new ATOM 0 HA ARG A 49 5.744 11.152 -16.650 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.969 8.330 -15.946 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.827 9.657 -16.031 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.472 10.026 -18.410 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.553 8.650 -18.312 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.690 7.174 -17.863 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.584 8.534 -17.846 1.00 0.00 H new ATOM 0 HE ARG A 49 3.935 8.512 -20.350 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.588 6.576 -18.531 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.779 5.993 -19.989 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.916 7.761 -22.171 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.534 6.666 -22.061 1.00 0.00 H new ATOM 780 N PRO A 50 4.786 11.544 -14.291 1.00 0.00 N ATOM 781 CA PRO A 50 4.586 12.056 -12.940 1.00 0.00 C ATOM 782 C PRO A 50 4.445 10.919 -11.936 1.00 0.00 C ATOM 783 O PRO A 50 4.910 11.019 -10.801 1.00 0.00 O ATOM 784 CB PRO A 50 3.308 12.895 -13.042 1.00 0.00 C ATOM 785 CG PRO A 50 3.277 13.353 -14.460 1.00 0.00 C ATOM 786 CD PRO A 50 3.841 12.210 -15.262 1.00 0.00 C ATOM 0 HA PRO A 50 5.431 12.644 -12.583 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.425 12.305 -12.796 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.331 13.739 -12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.260 13.589 -14.774 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.871 14.257 -14.594 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.059 11.528 -15.596 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.360 12.561 -16.154 1.00 0.00 H new ATOM 794 N VAL A 51 3.802 9.836 -12.361 1.00 0.00 N ATOM 795 CA VAL A 51 3.559 8.695 -11.486 1.00 0.00 C ATOM 796 C VAL A 51 4.608 7.610 -11.692 1.00 0.00 C ATOM 797 O VAL A 51 4.807 6.754 -10.830 1.00 0.00 O ATOM 798 CB VAL A 51 2.160 8.094 -11.716 1.00 0.00 C ATOM 799 CG1 VAL A 51 1.083 9.138 -11.458 1.00 0.00 C ATOM 800 CG2 VAL A 51 2.041 7.547 -13.130 1.00 0.00 C ATOM 0 H VAL A 51 3.439 9.725 -13.308 1.00 0.00 H new ATOM 0 HA VAL A 51 3.621 9.065 -10.463 1.00 0.00 H new ATOM 0 HB VAL A 51 2.019 7.271 -11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.101 8.696 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.154 9.487 -10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.222 9.980 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.046 7.126 -13.275 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.202 8.352 -13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.790 6.770 -13.284 1.00 0.00 H new ATOM 810 N LYS A 52 5.276 7.651 -12.839 1.00 0.00 N ATOM 811 CA LYS A 52 6.372 6.731 -13.121 1.00 0.00 C ATOM 812 C LYS A 52 7.556 6.985 -12.198 1.00 0.00 C ATOM 813 O LYS A 52 8.244 6.053 -11.782 1.00 0.00 O ATOM 814 CB LYS A 52 6.809 6.849 -14.582 1.00 0.00 C ATOM 815 CG LYS A 52 7.922 5.891 -14.985 1.00 0.00 C ATOM 816 CD LYS A 52 8.215 5.979 -16.475 1.00 0.00 C ATOM 817 CE LYS A 52 9.335 5.030 -16.877 1.00 0.00 C ATOM 818 NZ LYS A 52 9.578 5.047 -18.345 1.00 0.00 N ATOM 0 H LYS A 52 5.078 8.312 -13.590 1.00 0.00 H new ATOM 0 HA LYS A 52 6.011 5.718 -12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.945 6.673 -15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.140 7.871 -14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.825 6.122 -14.420 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.637 4.871 -14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.314 5.740 -17.039 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.492 7.001 -16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.251 5.307 -16.354 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.083 4.017 -16.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.348 4.387 -18.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.712 4.758 -18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.844 6.008 -18.642 1.00 0.00 H new ATOM 832 N MET A 53 7.790 8.254 -11.881 1.00 0.00 N ATOM 833 CA MET A 53 8.849 8.629 -10.951 1.00 0.00 C ATOM 834 C MET A 53 8.656 7.959 -9.596 1.00 0.00 C ATOM 835 O MET A 53 9.615 7.503 -8.975 1.00 0.00 O ATOM 836 CB MET A 53 8.896 10.147 -10.788 1.00 0.00 C ATOM 837 CG MET A 53 9.420 10.895 -12.006 1.00 0.00 C ATOM 838 SD MET A 53 9.701 12.646 -11.678 1.00 0.00 S ATOM 839 CE MET A 53 8.018 13.231 -11.501 1.00 0.00 C ATOM 0 H MET A 53 7.260 9.041 -12.255 1.00 0.00 H new ATOM 0 HA MET A 53 9.798 8.286 -11.364 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.893 10.507 -10.560 1.00 0.00 H new ATOM 0 HB3 MET A 53 9.524 10.389 -9.931 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.353 10.437 -12.335 1.00 0.00 H new ATOM 0 HG3 MET A 53 8.708 10.792 -12.825 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.777 13.901 -12.326 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.335 12.382 -11.512 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.916 13.767 -10.557 1.00 0.00 H new ATOM 849 N ALA A 54 7.408 7.904 -9.143 1.00 0.00 N ATOM 850 CA ALA A 54 7.072 7.207 -7.907 1.00 0.00 C ATOM 851 C ALA A 54 7.351 5.714 -8.022 1.00 0.00 C ATOM 852 O ALA A 54 7.895 5.102 -7.103 1.00 0.00 O ATOM 853 CB ALA A 54 5.616 7.451 -7.539 1.00 0.00 C ATOM 0 H ALA A 54 6.612 8.334 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 54 7.705 7.605 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.381 6.924 -6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.450 8.519 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.972 7.085 -8.339 1.00 0.00 H new ATOM 859 N THR A 55 6.977 5.134 -9.158 1.00 0.00 N ATOM 860 CA THR A 55 7.226 3.721 -9.413 1.00 0.00 C ATOM 861 C THR A 55 8.718 3.418 -9.424 1.00 0.00 C ATOM 862 O THR A 55 9.158 2.396 -8.897 1.00 0.00 O ATOM 863 CB THR A 55 6.612 3.272 -10.753 1.00 0.00 C ATOM 864 OG1 THR A 55 5.188 3.434 -10.707 1.00 0.00 O ATOM 865 CG2 THR A 55 6.944 1.814 -11.031 1.00 0.00 C ATOM 0 H THR A 55 6.500 5.622 -9.916 1.00 0.00 H new ATOM 0 HA THR A 55 6.752 3.168 -8.602 1.00 0.00 H new ATOM 0 HB THR A 55 7.029 3.887 -11.550 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.965 4.386 -10.769 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.502 1.515 -11.981 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.026 1.690 -11.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.542 1.191 -10.232 1.00 0.00 H new ATOM 873 N LEU A 56 9.495 4.311 -10.028 1.00 0.00 N ATOM 874 CA LEU A 56 10.939 4.138 -10.112 1.00 0.00 C ATOM 875 C LEU A 56 11.581 4.185 -8.731 1.00 0.00 C ATOM 876 O LEU A 56 12.496 3.415 -8.435 1.00 0.00 O ATOM 877 CB LEU A 56 11.549 5.214 -11.020 1.00 0.00 C ATOM 878 CG LEU A 56 11.196 5.090 -12.508 1.00 0.00 C ATOM 879 CD1 LEU A 56 11.681 6.320 -13.264 1.00 0.00 C ATOM 880 CD2 LEU A 56 11.824 3.825 -13.075 1.00 0.00 C ATOM 0 H LEU A 56 9.147 5.163 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 56 11.138 3.156 -10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.224 6.192 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.634 5.182 -10.916 1.00 0.00 H new ATOM 0 HG LEU A 56 10.114 5.026 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.426 6.223 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.203 7.210 -12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.762 6.409 -13.159 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.573 3.737 -14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.907 3.874 -12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.442 2.957 -12.538 1.00 0.00 H new ATOM 892 N LEU A 57 11.096 5.091 -7.890 1.00 0.00 N ATOM 893 CA LEU A 57 11.605 5.223 -6.529 1.00 0.00 C ATOM 894 C LEU A 57 11.289 3.986 -5.701 1.00 0.00 C ATOM 895 O LEU A 57 12.122 3.516 -4.926 1.00 0.00 O ATOM 896 CB LEU A 57 11.021 6.476 -5.863 1.00 0.00 C ATOM 897 CG LEU A 57 11.517 7.811 -6.434 1.00 0.00 C ATOM 898 CD1 LEU A 57 10.729 8.963 -5.827 1.00 0.00 C ATOM 899 CD2 LEU A 57 13.003 7.965 -6.149 1.00 0.00 C ATOM 0 H LEU A 57 10.350 5.746 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 57 12.689 5.323 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.935 6.442 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.255 6.445 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 57 11.364 7.824 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.088 9.906 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.671 8.844 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.862 8.965 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.355 8.913 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.171 7.946 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.550 7.146 -6.616 1.00 0.00 H new ATOM 911 N VAL A 58 10.079 3.461 -5.868 1.00 0.00 N ATOM 912 CA VAL A 58 9.655 2.268 -5.145 1.00 0.00 C ATOM 913 C VAL A 58 10.438 1.042 -5.598 1.00 0.00 C ATOM 914 O VAL A 58 10.831 0.209 -4.781 1.00 0.00 O ATOM 915 CB VAL A 58 8.149 2.000 -5.331 1.00 0.00 C ATOM 916 CG1 VAL A 58 7.780 0.631 -4.779 1.00 0.00 C ATOM 917 CG2 VAL A 58 7.328 3.085 -4.653 1.00 0.00 C ATOM 0 H VAL A 58 9.375 3.844 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 58 9.854 2.453 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 58 7.925 2.014 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.713 0.458 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.344 -0.138 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.018 0.591 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.267 2.880 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.556 3.101 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.572 4.053 -5.091 1.00 0.00 H new ATOM 927 N THR A 59 10.662 0.937 -6.903 1.00 0.00 N ATOM 928 CA THR A 59 11.335 -0.222 -7.475 1.00 0.00 C ATOM 929 C THR A 59 12.810 -0.246 -7.095 1.00 0.00 C ATOM 930 O THR A 59 13.346 -1.286 -6.713 1.00 0.00 O ATOM 931 CB THR A 59 11.211 -0.249 -9.010 1.00 0.00 C ATOM 932 OG1 THR A 59 9.830 -0.354 -9.378 1.00 0.00 O ATOM 933 CG2 THR A 59 11.977 -1.429 -9.587 1.00 0.00 C ATOM 0 H THR A 59 10.386 1.643 -7.586 1.00 0.00 H new ATOM 0 HA THR A 59 10.842 -1.104 -7.065 1.00 0.00 H new ATOM 0 HB THR A 59 11.632 0.674 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.397 0.520 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.878 -1.431 -10.672 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.030 -1.345 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.573 -2.357 -9.184 1.00 0.00 H new ATOM 941 N TYR A 60 13.462 0.907 -7.201 1.00 0.00 N ATOM 942 CA TYR A 60 14.914 0.980 -7.089 1.00 0.00 C ATOM 943 C TYR A 60 15.349 1.086 -5.633 1.00 0.00 C ATOM 944 O TYR A 60 16.349 0.492 -5.230 1.00 0.00 O ATOM 945 CB TYR A 60 15.454 2.169 -7.887 1.00 0.00 C ATOM 946 CG TYR A 60 15.256 2.046 -9.381 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.988 0.817 -9.965 1.00 0.00 C ATOM 948 CD2 TYR A 60 15.336 3.160 -10.203 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.807 0.699 -11.330 1.00 0.00 C ATOM 950 CE2 TYR A 60 15.155 3.055 -11.568 1.00 0.00 C ATOM 951 CZ TYR A 60 14.891 1.822 -12.128 1.00 0.00 C ATOM 952 OH TYR A 60 14.710 1.710 -13.488 1.00 0.00 O ATOM 0 H TYR A 60 13.007 1.805 -7.365 1.00 0.00 H new ATOM 0 HA TYR A 60 15.327 0.060 -7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.965 3.079 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.518 2.280 -7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.920 -0.063 -9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.543 4.127 -9.768 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.601 -0.266 -11.769 1.00 0.00 H new ATOM 0 HE2 TYR A 60 15.220 3.933 -12.194 1.00 0.00 H new ATOM 0 HH TYR A 60 14.800 2.593 -13.904 1.00 0.00 H new ATOM 962 N TYR A 61 14.593 1.846 -4.849 1.00 0.00 N ATOM 963 CA TYR A 61 14.977 2.149 -3.476 1.00 0.00 C ATOM 964 C TYR A 61 14.089 1.413 -2.480 1.00 0.00 C ATOM 965 O TYR A 61 14.581 0.777 -1.548 1.00 0.00 O ATOM 966 CB TYR A 61 14.911 3.658 -3.222 1.00 0.00 C ATOM 967 CG TYR A 61 15.739 4.478 -4.186 1.00 0.00 C ATOM 968 CD1 TYR A 61 15.214 4.893 -5.402 1.00 0.00 C ATOM 969 CD2 TYR A 61 17.042 4.836 -3.877 1.00 0.00 C ATOM 970 CE1 TYR A 61 15.966 5.642 -6.286 1.00 0.00 C ATOM 971 CE2 TYR A 61 17.803 5.585 -4.754 1.00 0.00 C ATOM 972 CZ TYR A 61 17.261 5.986 -5.958 1.00 0.00 C ATOM 973 OH TYR A 61 18.014 6.734 -6.834 1.00 0.00 O ATOM 0 H TYR A 61 13.710 2.264 -5.141 1.00 0.00 H new ATOM 0 HA TYR A 61 16.003 1.809 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.872 3.982 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.248 3.861 -2.205 1.00 0.00 H new ATOM 0 HD1 TYR A 61 14.200 4.626 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 61 17.469 4.524 -2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.543 5.956 -7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 61 18.817 5.855 -4.498 1.00 0.00 H new ATOM 0 HH TYR A 61 18.804 6.222 -7.106 1.00 0.00 H new ATOM 983 N GLY A 62 12.779 1.504 -2.683 1.00 0.00 N ATOM 984 CA GLY A 62 11.823 0.804 -1.834 1.00 0.00 C ATOM 985 C GLY A 62 10.580 1.649 -1.592 1.00 0.00 C ATOM 986 O GLY A 62 10.578 2.854 -1.845 1.00 0.00 O ATOM 0 H GLY A 62 12.355 2.056 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.540 -0.139 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.291 0.559 -0.880 1.00 0.00 H new ATOM 990 N GLU A 63 9.522 1.011 -1.102 1.00 0.00 N ATOM 991 CA GLU A 63 8.263 1.699 -0.844 1.00 0.00 C ATOM 992 C GLU A 63 8.439 2.799 0.195 1.00 0.00 C ATOM 993 O GLU A 63 7.985 3.927 0.002 1.00 0.00 O ATOM 994 CB GLU A 63 7.194 0.706 -0.383 1.00 0.00 C ATOM 995 CG GLU A 63 6.701 -0.238 -1.470 1.00 0.00 C ATOM 996 CD GLU A 63 5.845 -1.333 -0.897 1.00 0.00 C ATOM 997 OE1 GLU A 63 5.761 -1.427 0.305 1.00 0.00 O ATOM 998 OE2 GLU A 63 5.189 -2.005 -1.656 1.00 0.00 O ATOM 0 H GLU A 63 9.512 0.017 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 63 7.938 2.160 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.596 0.115 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.344 1.263 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.130 0.323 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.554 -0.675 -1.989 1.00 0.00 H new ATOM 1005 N GLU A 64 9.101 2.465 1.297 1.00 0.00 N ATOM 1006 CA GLU A 64 9.337 3.423 2.370 1.00 0.00 C ATOM 1007 C GLU A 64 10.337 4.491 1.944 1.00 0.00 C ATOM 1008 O GLU A 64 10.209 5.658 2.314 1.00 0.00 O ATOM 1009 CB GLU A 64 9.837 2.708 3.627 1.00 0.00 C ATOM 1010 CG GLU A 64 8.790 1.843 4.315 1.00 0.00 C ATOM 1011 CD GLU A 64 9.385 1.076 5.464 1.00 0.00 C ATOM 1012 OE1 GLU A 64 10.573 1.167 5.663 1.00 0.00 O ATOM 1013 OE2 GLU A 64 8.637 0.490 6.211 1.00 0.00 O ATOM 0 H GLU A 64 9.484 1.536 1.471 1.00 0.00 H new ATOM 0 HA GLU A 64 8.389 3.912 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.689 2.083 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.198 3.454 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.976 2.472 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.359 1.147 3.595 1.00 0.00 H new ATOM 1020 N TYR A 65 11.332 4.085 1.164 1.00 0.00 N ATOM 1021 CA TYR A 65 12.354 5.007 0.682 1.00 0.00 C ATOM 1022 C TYR A 65 11.771 6.005 -0.311 1.00 0.00 C ATOM 1023 O TYR A 65 12.189 7.161 -0.362 1.00 0.00 O ATOM 1024 CB TYR A 65 13.508 4.238 0.036 1.00 0.00 C ATOM 1025 CG TYR A 65 14.407 3.534 1.029 1.00 0.00 C ATOM 1026 CD1 TYR A 65 15.372 4.236 1.735 1.00 0.00 C ATOM 1027 CD2 TYR A 65 14.290 2.171 1.255 1.00 0.00 C ATOM 1028 CE1 TYR A 65 16.197 3.599 2.643 1.00 0.00 C ATOM 1029 CE2 TYR A 65 15.107 1.523 2.160 1.00 0.00 C ATOM 1030 CZ TYR A 65 16.061 2.242 2.852 1.00 0.00 C ATOM 1031 OH TYR A 65 16.880 1.602 3.754 1.00 0.00 O ATOM 0 H TYR A 65 11.453 3.122 0.851 1.00 0.00 H new ATOM 0 HA TYR A 65 12.734 5.561 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.099 3.501 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.108 4.930 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.481 5.298 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 65 13.546 1.606 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 65 16.943 4.160 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 65 15.000 0.461 2.325 1.00 0.00 H new ATOM 0 HH TYR A 65 16.653 0.649 3.783 1.00 0.00 H new ATOM 1041 N ALA A 66 10.802 5.550 -1.100 1.00 0.00 N ATOM 1042 CA ALA A 66 10.116 6.418 -2.049 1.00 0.00 C ATOM 1043 C ALA A 66 9.325 7.504 -1.331 1.00 0.00 C ATOM 1044 O ALA A 66 9.279 8.650 -1.779 1.00 0.00 O ATOM 1045 CB ALA A 66 9.203 5.600 -2.950 1.00 0.00 C ATOM 0 H ALA A 66 10.475 4.584 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 66 10.870 6.907 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.698 6.262 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.795 4.869 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.461 5.082 -2.342 1.00 0.00 H new ATOM 1051 N VAL A 67 8.705 7.137 -0.215 1.00 0.00 N ATOM 1052 CA VAL A 67 7.959 8.091 0.596 1.00 0.00 C ATOM 1053 C VAL A 67 8.888 9.115 1.238 1.00 0.00 C ATOM 1054 O VAL A 67 8.577 10.304 1.288 1.00 0.00 O ATOM 1055 CB VAL A 67 7.149 7.385 1.699 1.00 0.00 C ATOM 1056 CG1 VAL A 67 6.589 8.401 2.683 1.00 0.00 C ATOM 1057 CG2 VAL A 67 6.027 6.559 1.091 1.00 0.00 C ATOM 0 H VAL A 67 8.705 6.184 0.149 1.00 0.00 H new ATOM 0 HA VAL A 67 7.270 8.602 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 67 7.817 6.714 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.020 7.884 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.409 8.951 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.936 9.097 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.465 6.067 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.361 7.211 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.449 5.806 0.426 1.00 0.00 H new ATOM 1067 N GLN A 68 10.030 8.644 1.727 1.00 0.00 N ATOM 1068 CA GLN A 68 11.013 9.519 2.356 1.00 0.00 C ATOM 1069 C GLN A 68 11.594 10.505 1.351 1.00 0.00 C ATOM 1070 O GLN A 68 11.760 11.687 1.651 1.00 0.00 O ATOM 1071 CB GLN A 68 12.140 8.695 2.983 1.00 0.00 C ATOM 1072 CG GLN A 68 11.737 7.945 4.241 1.00 0.00 C ATOM 1073 CD GLN A 68 12.839 7.037 4.752 1.00 0.00 C ATOM 1074 OE1 GLN A 68 13.890 6.897 4.120 1.00 0.00 O ATOM 1075 NE2 GLN A 68 12.605 6.409 5.898 1.00 0.00 N ATOM 0 H GLN A 68 10.298 7.660 1.700 1.00 0.00 H new ATOM 0 HA GLN A 68 10.504 10.082 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 68 12.504 7.978 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.972 9.359 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.471 8.662 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.846 7.351 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.722 6.554 6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.308 5.782 6.289 1.00 0.00 H new ATOM 1084 N LEU A 69 11.903 10.012 0.156 1.00 0.00 N ATOM 1085 CA LEU A 69 12.491 10.843 -0.888 1.00 0.00 C ATOM 1086 C LEU A 69 11.469 11.820 -1.454 1.00 0.00 C ATOM 1087 O LEU A 69 11.793 12.970 -1.751 1.00 0.00 O ATOM 1088 CB LEU A 69 13.066 9.963 -2.005 1.00 0.00 C ATOM 1089 CG LEU A 69 14.278 9.112 -1.608 1.00 0.00 C ATOM 1090 CD1 LEU A 69 14.663 8.185 -2.752 1.00 0.00 C ATOM 1091 CD2 LEU A 69 15.439 10.023 -1.237 1.00 0.00 C ATOM 0 H LEU A 69 11.756 9.039 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 69 13.300 11.424 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.279 9.300 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.350 10.603 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 69 14.024 8.498 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.525 7.585 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.825 7.528 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.915 8.778 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.301 9.418 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.699 10.648 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.151 10.657 -0.398 1.00 0.00 H new ATOM 1103 N THR A 70 10.233 11.355 -1.603 1.00 0.00 N ATOM 1104 CA THR A 70 9.139 12.215 -2.039 1.00 0.00 C ATOM 1105 C THR A 70 8.861 13.313 -1.022 1.00 0.00 C ATOM 1106 O THR A 70 8.685 14.477 -1.382 1.00 0.00 O ATOM 1107 CB THR A 70 7.847 11.410 -2.275 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.041 10.501 -3.368 1.00 0.00 O ATOM 1109 CG2 THR A 70 6.688 12.341 -2.594 1.00 0.00 C ATOM 0 H THR A 70 9.964 10.387 -1.428 1.00 0.00 H new ATOM 0 HA THR A 70 9.452 12.667 -2.980 1.00 0.00 H new ATOM 0 HB THR A 70 7.612 10.854 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.485 9.690 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.784 11.754 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.531 13.025 -1.760 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.917 12.912 -3.493 1.00 0.00 H new ATOM 1117 N LEU A 71 8.822 12.936 0.252 1.00 0.00 N ATOM 1118 CA LEU A 71 8.616 13.897 1.330 1.00 0.00 C ATOM 1119 C LEU A 71 9.645 15.019 1.271 1.00 0.00 C ATOM 1120 O LEU A 71 9.304 16.194 1.407 1.00 0.00 O ATOM 1121 CB LEU A 71 8.675 13.190 2.690 1.00 0.00 C ATOM 1122 CG LEU A 71 8.200 14.028 3.883 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.863 13.120 5.058 1.00 0.00 C ATOM 1124 CD2 LEU A 71 9.281 15.028 4.265 1.00 0.00 C ATOM 0 H LEU A 71 8.930 11.971 0.563 1.00 0.00 H new ATOM 0 HA LEU A 71 7.628 14.340 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.069 12.285 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.702 12.875 2.874 1.00 0.00 H new ATOM 0 HG LEU A 71 7.299 14.576 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.527 13.725 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.071 12.429 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.749 12.556 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.943 15.623 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.191 14.494 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.485 15.685 3.419 1.00 0.00 H new ATOM 1136 N GLN A 72 10.905 14.650 1.069 1.00 0.00 N ATOM 1137 CA GLN A 72 11.988 15.624 1.000 1.00 0.00 C ATOM 1138 C GLN A 72 11.764 16.617 -0.134 1.00 0.00 C ATOM 1139 O GLN A 72 11.970 17.819 0.030 1.00 0.00 O ATOM 1140 CB GLN A 72 13.333 14.919 0.810 1.00 0.00 C ATOM 1141 CG GLN A 72 14.530 15.853 0.805 1.00 0.00 C ATOM 1142 CD GLN A 72 14.722 16.556 2.136 1.00 0.00 C ATOM 1143 OE1 GLN A 72 14.665 15.931 3.198 1.00 0.00 O ATOM 1144 NE2 GLN A 72 14.945 17.864 2.085 1.00 0.00 N ATOM 0 H GLN A 72 11.202 13.681 0.950 1.00 0.00 H new ATOM 0 HA GLN A 72 12.000 16.172 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.462 14.186 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.312 14.368 -0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.429 15.286 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.403 16.598 0.019 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.984 18.340 1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.077 18.393 2.947 1.00 0.00 H new ATOM 1153 N VAL A 73 11.340 16.107 -1.285 1.00 0.00 N ATOM 1154 CA VAL A 73 11.141 16.939 -2.465 1.00 0.00 C ATOM 1155 C VAL A 73 9.889 17.795 -2.332 1.00 0.00 C ATOM 1156 O VAL A 73 9.834 18.916 -2.840 1.00 0.00 O ATOM 1157 CB VAL A 73 11.036 16.089 -3.746 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.702 16.967 -4.942 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.331 15.330 -3.989 1.00 0.00 C ATOM 0 H VAL A 73 11.127 15.119 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 73 12.014 17.588 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 73 10.232 15.365 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.632 16.350 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.749 17.468 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.485 17.713 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.239 14.735 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.152 16.038 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.531 14.672 -3.143 1.00 0.00 H new ATOM 1169 N LEU A 74 8.884 17.261 -1.646 1.00 0.00 N ATOM 1170 CA LEU A 74 7.670 18.014 -1.355 1.00 0.00 C ATOM 1171 C LEU A 74 7.981 19.278 -0.563 1.00 0.00 C ATOM 1172 O LEU A 74 7.438 20.347 -0.842 1.00 0.00 O ATOM 1173 CB LEU A 74 6.671 17.136 -0.590 1.00 0.00 C ATOM 1174 CG LEU A 74 5.960 16.071 -1.433 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.143 15.153 -0.533 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.069 16.748 -2.463 1.00 0.00 C ATOM 0 H LEU A 74 8.887 16.309 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 74 7.223 18.314 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.198 16.640 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.918 17.781 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 74 6.701 15.466 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.642 14.400 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.804 14.662 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.398 15.740 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.564 15.990 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.326 17.362 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.677 17.378 -3.113 1.00 0.00 H new ATOM 1188 N ARG A 75 8.858 19.147 0.427 1.00 0.00 N ATOM 1189 CA ARG A 75 9.328 20.298 1.189 1.00 0.00 C ATOM 1190 C ARG A 75 10.127 21.252 0.310 1.00 0.00 C ATOM 1191 O ARG A 75 10.084 22.468 0.497 1.00 0.00 O ATOM 1192 CB ARG A 75 10.117 19.885 2.423 1.00 0.00 C ATOM 1193 CG ARG A 75 9.282 19.292 3.547 1.00 0.00 C ATOM 1194 CD ARG A 75 10.065 18.880 4.740 1.00 0.00 C ATOM 1195 NE ARG A 75 9.263 18.374 5.842 1.00 0.00 N ATOM 1196 CZ ARG A 75 9.765 17.876 6.988 1.00 0.00 C ATOM 1197 NH1 ARG A 75 11.063 17.778 7.173 1.00 0.00 N ATOM 1198 NH2 ARG A 75 8.918 17.463 7.915 1.00 0.00 N ATOM 0 H ARG A 75 9.257 18.255 0.720 1.00 0.00 H new ATOM 0 HA ARG A 75 8.445 20.830 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.872 19.156 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.648 20.757 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.534 20.024 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.742 18.426 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.778 18.111 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.645 19.734 5.091 1.00 0.00 H new ATOM 0 HE ARG A 75 8.248 18.398 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.707 18.082 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.426 17.398 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.913 17.526 7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.269 17.081 8.793 1.00 0.00 H new ATOM 1212 N ALA A 76 10.857 20.693 -0.650 1.00 0.00 N ATOM 1213 CA ALA A 76 11.664 21.493 -1.563 1.00 0.00 C ATOM 1214 C ALA A 76 10.789 22.375 -2.444 1.00 0.00 C ATOM 1215 O ALA A 76 11.212 23.443 -2.884 1.00 0.00 O ATOM 1216 CB ALA A 76 12.546 20.594 -2.417 1.00 0.00 C ATOM 0 H ALA A 76 10.906 19.688 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 76 12.302 22.145 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.142 21.206 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.208 20.015 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.920 19.916 -2.997 1.00 0.00 H new ATOM 1222 N ILE A 77 9.567 21.921 -2.699 1.00 0.00 N ATOM 1223 CA ILE A 77 8.629 22.668 -3.528 1.00 0.00 C ATOM 1224 C ILE A 77 7.601 23.400 -2.675 1.00 0.00 C ATOM 1225 O ILE A 77 6.539 23.788 -3.164 1.00 0.00 O ATOM 1226 CB ILE A 77 7.897 21.749 -4.523 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.069 20.702 -3.773 1.00 0.00 C ATOM 1228 CG2 ILE A 77 8.893 21.075 -5.456 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.126 19.920 -4.659 1.00 0.00 C ATOM 0 H ILE A 77 9.202 21.038 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 77 9.216 23.397 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 77 7.221 22.357 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.745 20.007 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.492 21.199 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.359 20.429 -6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.441 21.835 -6.013 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.593 20.478 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.575 19.198 -4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.425 20.604 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.698 19.393 -5.423 1.00 0.00 H new ATOM 1241 N ASN A 78 7.921 23.584 -1.399 1.00 0.00 N ATOM 1242 CA ASN A 78 7.094 24.392 -0.510 1.00 0.00 C ATOM 1243 C ASN A 78 5.725 23.757 -0.304 1.00 0.00 C ATOM 1244 O ASN A 78 4.720 24.456 -0.171 1.00 0.00 O ATOM 1245 CB ASN A 78 6.943 25.809 -1.030 1.00 0.00 C ATOM 1246 CG ASN A 78 8.244 26.551 -1.154 1.00 0.00 C ATOM 1247 OD1 ASN A 78 9.000 26.686 -0.184 1.00 0.00 O ATOM 1248 ND2 ASN A 78 8.472 27.103 -2.318 1.00 0.00 N ATOM 0 H ASN A 78 8.748 23.184 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 78 7.602 24.435 0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.458 25.778 -2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.282 26.362 -0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.305 27.675 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.817 26.961 -3.087 1.00 0.00 H new ATOM 1255 N GLN A 79 5.691 22.430 -0.278 1.00 0.00 N ATOM 1256 CA GLN A 79 4.483 21.701 0.087 1.00 0.00 C ATOM 1257 C GLN A 79 4.674 20.932 1.388 1.00 0.00 C ATOM 1258 O GLN A 79 4.866 19.715 1.378 1.00 0.00 O ATOM 1259 CB GLN A 79 4.082 20.733 -1.030 1.00 0.00 C ATOM 1260 CG GLN A 79 3.560 21.413 -2.285 1.00 0.00 C ATOM 1261 CD GLN A 79 2.263 22.161 -2.042 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.475 21.796 -1.165 1.00 0.00 O ATOM 1263 NE2 GLN A 79 2.031 23.211 -2.821 1.00 0.00 N ATOM 0 H GLN A 79 6.488 21.836 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 79 3.688 22.432 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.945 20.122 -1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.316 20.056 -0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.312 22.108 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.404 20.665 -3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.710 23.477 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.173 23.751 -2.707 1.00 0.00 H new ATOM 1272 N ARG A 80 4.621 21.648 2.506 1.00 0.00 N ATOM 1273 CA ARG A 80 4.795 21.034 3.817 1.00 0.00 C ATOM 1274 C ARG A 80 3.562 20.235 4.218 1.00 0.00 C ATOM 1275 O ARG A 80 3.657 19.265 4.970 1.00 0.00 O ATOM 1276 CB ARG A 80 5.169 22.054 4.883 1.00 0.00 C ATOM 1277 CG ARG A 80 6.581 22.607 4.772 1.00 0.00 C ATOM 1278 CD ARG A 80 6.933 23.601 5.817 1.00 0.00 C ATOM 1279 NE ARG A 80 8.299 24.095 5.743 1.00 0.00 N ATOM 1280 CZ ARG A 80 8.818 25.032 6.559 1.00 0.00 C ATOM 1281 NH1 ARG A 80 8.084 25.607 7.486 1.00 0.00 N ATOM 1282 NH2 ARG A 80 10.083 25.378 6.388 1.00 0.00 N ATOM 0 H ARG A 80 4.459 22.655 2.530 1.00 0.00 H new ATOM 0 HA ARG A 80 5.632 20.340 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.464 22.884 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.051 21.593 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.288 21.779 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.701 23.069 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.250 24.447 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.775 23.151 6.797 1.00 0.00 H new ATOM 0 HE ARG A 80 8.906 23.704 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.104 25.345 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.494 26.315 8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.637 24.938 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.504 26.085 6.991 1.00 0.00 H new ATOM 1296 N LEU A 81 2.405 20.649 3.714 1.00 0.00 N ATOM 1297 CA LEU A 81 1.155 19.948 3.986 1.00 0.00 C ATOM 1298 C LEU A 81 1.233 18.493 3.544 1.00 0.00 C ATOM 1299 O LEU A 81 0.941 17.582 4.320 1.00 0.00 O ATOM 1300 CB LEU A 81 -0.013 20.657 3.288 1.00 0.00 C ATOM 1301 CG LEU A 81 -1.377 19.974 3.446 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -1.778 19.939 4.915 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -2.417 20.720 2.622 1.00 0.00 C ATOM 0 H LEU A 81 2.306 21.468 3.114 1.00 0.00 H new ATOM 0 HA LEU A 81 0.985 19.963 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.086 21.673 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.214 20.738 2.225 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.313 18.947 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.748 19.452 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.032 19.383 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.841 20.957 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.387 20.235 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.485 21.751 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.125 20.709 1.572 1.00 0.00 H new ATOM 1315 N LEU A 82 1.626 18.280 2.293 1.00 0.00 N ATOM 1316 CA LEU A 82 1.680 16.938 1.725 1.00 0.00 C ATOM 1317 C LEU A 82 2.842 16.140 2.303 1.00 0.00 C ATOM 1318 O LEU A 82 2.777 14.916 2.406 1.00 0.00 O ATOM 1319 CB LEU A 82 1.793 17.013 0.197 1.00 0.00 C ATOM 1320 CG LEU A 82 0.558 17.574 -0.522 1.00 0.00 C ATOM 1321 CD1 LEU A 82 0.841 17.715 -2.011 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.630 16.655 -0.284 1.00 0.00 C ATOM 0 H LEU A 82 1.912 19.020 1.652 1.00 0.00 H new ATOM 0 HA LEU A 82 0.756 16.423 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.654 17.631 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.994 16.013 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 82 0.323 18.561 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.041 18.114 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.681 18.394 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.086 16.739 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.507 17.054 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.405 15.661 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.831 16.590 0.785 1.00 0.00 H new ATOM 1334 N ALA A 83 3.905 16.843 2.680 1.00 0.00 N ATOM 1335 CA ALA A 83 5.019 16.226 3.389 1.00 0.00 C ATOM 1336 C ALA A 83 4.580 15.692 4.747 1.00 0.00 C ATOM 1337 O ALA A 83 4.989 14.608 5.161 1.00 0.00 O ATOM 1338 CB ALA A 83 6.160 17.218 3.550 1.00 0.00 C ATOM 0 H ALA A 83 4.018 17.842 2.506 1.00 0.00 H new ATOM 0 HA ALA A 83 5.370 15.382 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.984 16.742 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.501 17.542 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.814 18.082 4.117 1.00 0.00 H new ATOM 1344 N GLU A 84 3.744 16.461 5.436 1.00 0.00 N ATOM 1345 CA GLU A 84 3.185 16.032 6.713 1.00 0.00 C ATOM 1346 C GLU A 84 2.278 14.821 6.539 1.00 0.00 C ATOM 1347 O GLU A 84 2.268 13.916 7.373 1.00 0.00 O ATOM 1348 CB GLU A 84 2.411 17.178 7.371 1.00 0.00 C ATOM 1349 CG GLU A 84 1.811 16.833 8.727 1.00 0.00 C ATOM 1350 CD GLU A 84 1.114 18.019 9.332 1.00 0.00 C ATOM 1351 OE1 GLU A 84 1.182 19.080 8.759 1.00 0.00 O ATOM 1352 OE2 GLU A 84 0.421 17.843 10.306 1.00 0.00 O ATOM 0 H GLU A 84 3.438 17.385 5.131 1.00 0.00 H new ATOM 0 HA GLU A 84 4.014 15.746 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.079 18.031 7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.610 17.491 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.104 16.011 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.598 16.489 9.398 1.00 0.00 H new ATOM 1359 N GLU A 85 1.517 14.810 5.450 1.00 0.00 N ATOM 1360 CA GLU A 85 0.635 13.689 5.143 1.00 0.00 C ATOM 1361 C GLU A 85 1.413 12.381 5.068 1.00 0.00 C ATOM 1362 O GLU A 85 1.021 11.380 5.668 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.105 13.937 3.827 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.086 12.838 3.442 1.00 0.00 C ATOM 1365 CD GLU A 85 -1.836 13.190 2.186 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -1.204 13.388 1.177 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -3.043 13.150 2.208 1.00 0.00 O ATOM 0 H GLU A 85 1.493 15.565 4.765 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.094 13.606 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.645 14.881 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.627 14.050 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.547 11.902 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.792 12.676 4.256 1.00 0.00 H new ATOM 1374 N LEU A 86 2.517 12.396 4.329 1.00 0.00 N ATOM 1375 CA LEU A 86 3.358 11.215 4.186 1.00 0.00 C ATOM 1376 C LEU A 86 4.006 10.836 5.512 1.00 0.00 C ATOM 1377 O LEU A 86 4.149 9.654 5.828 1.00 0.00 O ATOM 1378 CB LEU A 86 4.433 11.455 3.118 1.00 0.00 C ATOM 1379 CG LEU A 86 3.921 11.490 1.672 1.00 0.00 C ATOM 1380 CD1 LEU A 86 5.065 11.807 0.720 1.00 0.00 C ATOM 1381 CD2 LEU A 86 3.287 10.151 1.326 1.00 0.00 C ATOM 0 H LEU A 86 2.850 13.214 3.819 1.00 0.00 H new ATOM 0 HA LEU A 86 2.724 10.386 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.931 12.400 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.186 10.671 3.201 1.00 0.00 H new ATOM 0 HG LEU A 86 3.168 12.272 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.691 11.829 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.490 12.779 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.835 11.040 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.923 10.175 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.029 9.359 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.454 9.958 2.002 1.00 0.00 H new ATOM 1393 N HIS A 87 4.394 11.844 6.285 1.00 0.00 N ATOM 1394 CA HIS A 87 4.949 11.621 7.614 1.00 0.00 C ATOM 1395 C HIS A 87 3.956 10.890 8.509 1.00 0.00 C ATOM 1396 O HIS A 87 4.304 9.912 9.171 1.00 0.00 O ATOM 1397 CB HIS A 87 5.357 12.948 8.260 1.00 0.00 C ATOM 1398 CG HIS A 87 5.849 12.806 9.668 1.00 0.00 C ATOM 1399 ND1 HIS A 87 7.079 12.264 9.975 1.00 0.00 N ATOM 1400 CD2 HIS A 87 5.276 13.135 10.850 1.00 0.00 C ATOM 1401 CE1 HIS A 87 7.242 12.267 11.286 1.00 0.00 C ATOM 1402 NE2 HIS A 87 6.162 12.788 11.839 1.00 0.00 N ATOM 0 H HIS A 87 4.334 12.825 6.013 1.00 0.00 H new ATOM 0 HA HIS A 87 5.835 10.996 7.501 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.138 13.411 7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.503 13.625 8.249 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.304 13.586 10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.111 11.905 11.815 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.011 12.912 12.840 1.00 0.00 H new ATOM 1410 N ARG A 88 2.717 11.370 8.526 1.00 0.00 N ATOM 1411 CA ARG A 88 1.674 10.775 9.353 1.00 0.00 C ATOM 1412 C ARG A 88 1.269 9.404 8.826 1.00 0.00 C ATOM 1413 O ARG A 88 0.914 8.512 9.596 1.00 0.00 O ATOM 1414 CB ARG A 88 0.470 11.691 9.507 1.00 0.00 C ATOM 1415 CG ARG A 88 0.726 12.955 10.313 1.00 0.00 C ATOM 1416 CD ARG A 88 -0.463 13.830 10.473 1.00 0.00 C ATOM 1417 NE ARG A 88 -0.183 15.120 11.084 1.00 0.00 N ATOM 1418 CZ ARG A 88 -0.070 15.329 12.411 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -0.247 14.349 13.268 1.00 0.00 N ATOM 1420 NH2 ARG A 88 0.202 16.553 12.829 1.00 0.00 N ATOM 0 H ARG A 88 2.410 12.172 7.975 1.00 0.00 H new ATOM 0 HA ARG A 88 2.094 10.639 10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.119 11.975 8.515 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.336 11.131 9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.091 12.674 11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.520 13.525 9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.911 13.996 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.204 13.308 11.079 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.064 15.922 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.474 13.413 12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.158 14.524 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.320 17.308 12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.294 16.743 13.827 1.00 0.00 H new ATOM 1434 N ALA A 89 1.325 9.243 7.508 1.00 0.00 N ATOM 1435 CA ALA A 89 1.049 7.956 6.881 1.00 0.00 C ATOM 1436 C ALA A 89 2.064 6.905 7.311 1.00 0.00 C ATOM 1437 O ALA A 89 1.706 5.763 7.600 1.00 0.00 O ATOM 1438 CB ALA A 89 1.036 8.097 5.365 1.00 0.00 C ATOM 0 H ALA A 89 1.559 9.989 6.853 1.00 0.00 H new ATOM 0 HA ALA A 89 0.064 7.624 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.829 7.128 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.263 8.808 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.007 8.457 5.025 1.00 0.00 H new ATOM 1444 N ALA A 90 3.333 7.298 7.353 1.00 0.00 N ATOM 1445 CA ALA A 90 4.399 6.398 7.778 1.00 0.00 C ATOM 1446 C ALA A 90 4.219 5.980 9.232 1.00 0.00 C ATOM 1447 O ALA A 90 4.534 4.851 9.607 1.00 0.00 O ATOM 1448 CB ALA A 90 5.758 7.055 7.577 1.00 0.00 C ATOM 0 H ALA A 90 3.648 8.234 7.098 1.00 0.00 H new ATOM 0 HA ALA A 90 4.349 5.500 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.544 6.371 7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.894 7.294 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.810 7.971 8.166 1.00 0.00 H new ATOM 1454 N ILE A 91 3.711 6.898 10.047 1.00 0.00 N ATOM 1455 CA ILE A 91 3.414 6.602 11.444 1.00 0.00 C ATOM 1456 C ILE A 91 2.307 5.562 11.563 1.00 0.00 C ATOM 1457 O ILE A 91 2.407 4.622 12.351 1.00 0.00 O ATOM 1458 CB ILE A 91 3.002 7.868 12.216 1.00 0.00 C ATOM 1459 CG1 ILE A 91 4.192 8.822 12.350 1.00 0.00 C ATOM 1460 CG2 ILE A 91 2.451 7.502 13.585 1.00 0.00 C ATOM 1461 CD1 ILE A 91 3.819 10.198 12.851 1.00 0.00 C ATOM 0 H ILE A 91 3.496 7.854 9.764 1.00 0.00 H new ATOM 0 HA ILE A 91 4.330 6.205 11.882 1.00 0.00 H new ATOM 0 HB ILE A 91 2.216 8.375 11.656 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.922 8.384 13.031 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.679 8.919 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.165 8.410 14.117 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.578 6.861 13.466 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.215 6.973 14.155 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.715 10.815 12.919 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.113 10.658 12.160 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.360 10.114 13.836 1.00 0.00 H new ATOM 1473 N GLN A 92 1.250 5.739 10.778 1.00 0.00 N ATOM 1474 CA GLN A 92 0.121 4.817 10.795 1.00 0.00 C ATOM 1475 C GLN A 92 0.508 3.459 10.224 1.00 0.00 C ATOM 1476 O GLN A 92 0.025 2.422 10.679 1.00 0.00 O ATOM 1477 CB GLN A 92 -1.055 5.395 10.000 1.00 0.00 C ATOM 1478 CG GLN A 92 -1.730 6.583 10.662 1.00 0.00 C ATOM 1479 CD GLN A 92 -2.806 7.199 9.789 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -3.015 6.777 8.647 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -3.493 8.205 10.318 1.00 0.00 N ATOM 0 H GLN A 92 1.152 6.513 10.121 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.179 4.682 11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.700 5.696 9.014 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -1.795 4.610 9.846 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.171 6.266 11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.980 7.339 10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.287 8.521 11.266 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.227 8.662 9.777 1.00 0.00 H new ATOM 1490 N LEU A 93 1.384 3.472 9.225 1.00 0.00 N ATOM 1491 CA LEU A 93 1.860 2.239 8.608 1.00 0.00 C ATOM 1492 C LEU A 93 2.745 1.450 9.564 1.00 0.00 C ATOM 1493 O LEU A 93 2.249 0.772 10.420 1.00 0.00 O ATOM 1494 CB LEU A 93 2.620 2.554 7.313 1.00 0.00 C ATOM 1495 CG LEU A 93 1.753 3.060 6.154 1.00 0.00 C ATOM 1496 CD1 LEU A 93 2.637 3.591 5.034 1.00 0.00 C ATOM 1497 CD2 LEU A 93 0.865 1.930 5.651 1.00 0.00 C ATOM 0 H LEU A 93 1.779 4.323 8.825 1.00 0.00 H new ATOM 0 HA LEU A 93 0.993 1.623 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.381 3.303 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.142 1.654 6.989 1.00 0.00 H new ATOM 0 HG LEU A 93 1.119 3.875 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.012 3.948 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.247 4.413 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.286 2.793 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.249 2.291 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.487 1.105 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.222 1.585 6.461 1.00 0.00 H new TER 1509 LEU A 93