USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 873 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.375 K(o=-0.38,f=-2.7!) USER MOD Set 2.1: A 40 CYS SG : rot 180:sc= 0.215 USER MOD Set 2.2: A 59 TYR OH : rot -61:sc= -1.01 USER MOD Set 3.1: A 35 CYS SG : rot 180:sc= -2.55 USER MOD Set 3.2: A 36 MET CE :methyl -171:sc= -0.738 (180deg=-0.993) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-2) USER MOD Single : A 11 THR OG1 : rot 170:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.84 K(o=-3.8,f=-2.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.37! C(o=-3.4!,f=-4.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 150:sc= -0.345 (180deg=-2.08!) USER MOD Single : A 43 TYR OH : rot 38:sc= -0.432 USER MOD Single : A 46 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-0.065) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -0.0313 (180deg=-0.42) USER MOD Single : A 50 MET CE :methyl -148:sc= -0.372 (180deg=-1.9!) USER MOD Single : A 51 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.47) USER MOD Single : A 53 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.94) USER MOD Single : A 54 SER OG : rot -116:sc= 0.0905 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 SER OG : rot 180:sc=-0.00373 USER MOD Single : A 76 CYS SG : rot 144:sc= -6.95! USER MOD Single : A 83 THR OG1 : rot 164:sc= -2! USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.04 K(o=-1,f=-7.6!) USER MOD Single : A 89 TYR OH : rot -30:sc= 0.91 USER MOD Single : A 90 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.9!) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= -1.85 (180deg=-2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -141:sc= -0.541! (180deg=-1.94!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.054) USER MOD Single : A 107 GLN : amide:sc=-0.00336 X(o=-0.0034,f=-0.32) USER MOD Single : A 108 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.5!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.179 11.794 26.089 1.00 0.00 N ATOM 2 CA GLY A 1 20.352 13.200 25.765 1.00 0.00 C ATOM 3 C GLY A 1 19.373 13.635 24.673 1.00 0.00 C ATOM 4 O GLY A 1 18.182 13.337 24.747 1.00 0.00 O ATOM 0 H1 GLY A 1 20.854 11.523 26.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.209 11.633 26.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.350 11.218 25.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.198 13.805 26.659 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.375 13.377 25.433 1.00 0.00 H new ATOM 8 N SER A 2 19.911 14.334 23.684 1.00 0.00 N ATOM 9 CA SER A 2 19.100 14.813 22.578 1.00 0.00 C ATOM 10 C SER A 2 19.646 14.272 21.255 1.00 0.00 C ATOM 11 O SER A 2 20.772 13.780 21.199 1.00 0.00 O ATOM 12 CB SER A 2 19.056 16.342 22.549 1.00 0.00 C ATOM 13 OG SER A 2 17.721 16.839 22.568 1.00 0.00 O ATOM 0 H SER A 2 20.899 14.580 23.626 1.00 0.00 H new ATOM 0 HA SER A 2 18.082 14.450 22.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.602 16.736 23.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.564 16.702 21.654 1.00 0.00 H new ATOM 0 HG SER A 2 17.736 17.819 22.550 1.00 0.00 H new ATOM 19 N GLU A 3 18.822 14.382 20.223 1.00 0.00 N ATOM 20 CA GLU A 3 19.209 13.910 18.904 1.00 0.00 C ATOM 21 C GLU A 3 18.786 14.919 17.834 1.00 0.00 C ATOM 22 O GLU A 3 18.064 15.872 18.125 1.00 0.00 O ATOM 23 CB GLU A 3 18.615 12.528 18.620 1.00 0.00 C ATOM 24 CG GLU A 3 19.633 11.424 18.913 1.00 0.00 C ATOM 25 CD GLU A 3 19.679 10.405 17.772 1.00 0.00 C ATOM 26 OE1 GLU A 3 19.896 10.848 16.624 1.00 0.00 O ATOM 27 OE2 GLU A 3 19.497 9.206 18.075 1.00 0.00 O ATOM 0 H GLU A 3 17.889 14.791 20.273 1.00 0.00 H new ATOM 0 HA GLU A 3 20.295 13.815 18.877 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.725 12.378 19.231 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.300 12.470 17.578 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.621 11.863 19.054 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.372 10.921 19.844 1.00 0.00 H new ATOM 34 N GLY A 4 19.252 14.674 16.618 1.00 0.00 N ATOM 35 CA GLY A 4 18.931 15.549 15.504 1.00 0.00 C ATOM 36 C GLY A 4 17.573 15.190 14.898 1.00 0.00 C ATOM 37 O GLY A 4 16.770 14.503 15.529 1.00 0.00 O ATOM 0 H GLY A 4 19.849 13.882 16.380 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.920 16.585 15.842 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.706 15.471 14.741 1.00 0.00 H new ATOM 41 N ALA A 5 17.356 15.671 13.683 1.00 0.00 N ATOM 42 CA ALA A 5 16.109 15.409 12.985 1.00 0.00 C ATOM 43 C ALA A 5 16.186 15.996 11.574 1.00 0.00 C ATOM 44 O ALA A 5 16.885 16.981 11.345 1.00 0.00 O ATOM 45 CB ALA A 5 14.943 15.983 13.792 1.00 0.00 C ATOM 0 H ALA A 5 18.023 16.241 13.164 1.00 0.00 H new ATOM 0 HA ALA A 5 15.942 14.336 12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.007 15.787 13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.915 15.513 14.775 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.075 17.059 13.908 1.00 0.00 H new ATOM 51 N ALA A 6 15.457 15.364 10.665 1.00 0.00 N ATOM 52 CA ALA A 6 15.435 15.811 9.283 1.00 0.00 C ATOM 53 C ALA A 6 14.011 15.690 8.736 1.00 0.00 C ATOM 54 O ALA A 6 13.195 14.946 9.278 1.00 0.00 O ATOM 55 CB ALA A 6 16.444 15.000 8.467 1.00 0.00 C ATOM 0 H ALA A 6 14.878 14.547 10.859 1.00 0.00 H new ATOM 0 HA ALA A 6 15.728 16.859 9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 6 16.427 15.336 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.443 15.143 8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.181 13.943 8.510 1.00 0.00 H new ATOM 61 N THR A 7 13.756 16.432 7.668 1.00 0.00 N ATOM 62 CA THR A 7 12.445 16.417 7.042 1.00 0.00 C ATOM 63 C THR A 7 12.111 15.012 6.538 1.00 0.00 C ATOM 64 O THR A 7 13.002 14.261 6.145 1.00 0.00 O ATOM 65 CB THR A 7 12.436 17.476 5.938 1.00 0.00 C ATOM 66 OG1 THR A 7 13.497 17.083 5.071 1.00 0.00 O ATOM 67 CG2 THR A 7 12.863 18.855 6.446 1.00 0.00 C ATOM 0 H THR A 7 14.435 17.047 7.221 1.00 0.00 H new ATOM 0 HA THR A 7 11.662 16.666 7.758 1.00 0.00 H new ATOM 0 HB THR A 7 11.437 17.541 5.506 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.561 17.715 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.839 19.569 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.180 19.182 7.230 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.875 18.798 6.848 1.00 0.00 H new ATOM 75 N MET A 8 10.824 14.699 6.566 1.00 0.00 N ATOM 76 CA MET A 8 10.360 13.397 6.117 1.00 0.00 C ATOM 77 C MET A 8 8.832 13.342 6.078 1.00 0.00 C ATOM 78 O MET A 8 8.165 13.853 6.977 1.00 0.00 O ATOM 79 CB MET A 8 10.886 12.314 7.062 1.00 0.00 C ATOM 80 CG MET A 8 10.462 12.593 8.506 1.00 0.00 C ATOM 81 SD MET A 8 9.254 11.388 9.031 1.00 0.00 S ATOM 82 CE MET A 8 8.400 12.331 10.283 1.00 0.00 C ATOM 0 H MET A 8 10.088 15.325 6.893 1.00 0.00 H new ATOM 0 HA MET A 8 10.736 13.226 5.108 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.509 11.340 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 8 11.973 12.270 7.001 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.332 12.558 9.162 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.044 13.597 8.584 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.607 11.723 10.718 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.104 12.621 11.063 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.967 13.225 9.833 1.00 0.00 H new ATOM 92 N SER A 9 8.321 12.718 5.027 1.00 0.00 N ATOM 93 CA SER A 9 6.883 12.591 4.858 1.00 0.00 C ATOM 94 C SER A 9 6.492 11.112 4.804 1.00 0.00 C ATOM 95 O SER A 9 5.482 10.713 5.380 1.00 0.00 O ATOM 96 CB SER A 9 6.411 13.311 3.594 1.00 0.00 C ATOM 97 OG SER A 9 5.021 13.622 3.645 1.00 0.00 O ATOM 0 H SER A 9 8.877 12.295 4.284 1.00 0.00 H new ATOM 0 HA SER A 9 6.395 13.059 5.713 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.984 14.229 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.611 12.685 2.724 1.00 0.00 H new ATOM 0 HG SER A 9 4.758 14.083 2.821 1.00 0.00 H new ATOM 103 N HIS A 10 7.313 10.341 4.106 1.00 0.00 N ATOM 104 CA HIS A 10 7.065 8.916 3.969 1.00 0.00 C ATOM 105 C HIS A 10 5.657 8.691 3.415 1.00 0.00 C ATOM 106 O HIS A 10 5.006 9.631 2.964 1.00 0.00 O ATOM 107 CB HIS A 10 7.303 8.193 5.296 1.00 0.00 C ATOM 108 CG HIS A 10 8.620 7.457 5.367 1.00 0.00 C ATOM 109 ND1 HIS A 10 9.441 7.496 6.481 1.00 0.00 N ATOM 110 CD2 HIS A 10 9.248 6.663 4.453 1.00 0.00 C ATOM 111 CE1 HIS A 10 10.513 6.756 6.236 1.00 0.00 C ATOM 112 NE2 HIS A 10 10.391 6.241 4.979 1.00 0.00 N ATOM 0 H HIS A 10 8.150 10.676 3.629 1.00 0.00 H new ATOM 0 HA HIS A 10 7.770 8.487 3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.261 8.920 6.107 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.492 7.483 5.462 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.878 6.419 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.338 6.590 6.913 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.067 5.632 4.519 1.00 0.00 H new ATOM 120 N THR A 11 5.228 7.438 3.469 1.00 0.00 N ATOM 121 CA THR A 11 3.909 7.077 2.978 1.00 0.00 C ATOM 122 C THR A 11 2.877 7.173 4.103 1.00 0.00 C ATOM 123 O THR A 11 3.015 6.516 5.134 1.00 0.00 O ATOM 124 CB THR A 11 4.002 5.683 2.355 1.00 0.00 C ATOM 125 OG1 THR A 11 4.891 5.852 1.255 1.00 0.00 O ATOM 126 CG2 THR A 11 2.687 5.242 1.708 1.00 0.00 C ATOM 0 H THR A 11 5.771 6.661 3.845 1.00 0.00 H new ATOM 0 HA THR A 11 3.569 7.770 2.208 1.00 0.00 H new ATOM 0 HB THR A 11 4.290 4.962 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.135 4.974 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.807 4.246 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.900 5.221 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.416 5.944 0.920 1.00 0.00 H new ATOM 134 N ILE A 12 1.866 7.996 3.868 1.00 0.00 N ATOM 135 CA ILE A 12 0.811 8.186 4.849 1.00 0.00 C ATOM 136 C ILE A 12 -0.372 7.280 4.501 1.00 0.00 C ATOM 137 O ILE A 12 -0.752 7.170 3.336 1.00 0.00 O ATOM 138 CB ILE A 12 0.441 9.667 4.957 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.667 10.514 5.304 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.700 9.875 5.955 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.403 11.997 5.034 1.00 0.00 C ATOM 0 H ILE A 12 1.755 8.539 3.012 1.00 0.00 H new ATOM 0 HA ILE A 12 1.155 7.894 5.841 1.00 0.00 H new ATOM 0 HB ILE A 12 0.083 10.002 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.926 10.372 6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.522 10.180 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.944 10.936 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.577 9.319 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.393 9.519 6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.290 12.577 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.168 12.139 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.563 12.333 5.641 1.00 0.00 H new ATOM 153 N LEU A 13 -0.921 6.656 5.532 1.00 0.00 N ATOM 154 CA LEU A 13 -2.054 5.764 5.350 1.00 0.00 C ATOM 155 C LEU A 13 -3.179 6.175 6.301 1.00 0.00 C ATOM 156 O LEU A 13 -2.983 6.232 7.514 1.00 0.00 O ATOM 157 CB LEU A 13 -1.617 4.306 5.508 1.00 0.00 C ATOM 158 CG LEU A 13 -2.614 3.251 5.023 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.412 2.672 6.192 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.525 3.818 3.932 1.00 0.00 C ATOM 0 H LEU A 13 -0.603 6.750 6.496 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.447 5.848 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.680 4.168 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.408 4.122 6.562 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.052 2.429 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.113 1.925 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.730 2.207 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.963 3.471 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.224 3.048 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.081 4.668 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.920 4.142 3.085 1.00 0.00 H new ATOM 172 N LEU A 14 -4.335 6.451 5.714 1.00 0.00 N ATOM 173 CA LEU A 14 -5.492 6.856 6.494 1.00 0.00 C ATOM 174 C LEU A 14 -6.678 5.954 6.144 1.00 0.00 C ATOM 175 O LEU A 14 -6.523 4.972 5.419 1.00 0.00 O ATOM 176 CB LEU A 14 -5.775 8.347 6.300 1.00 0.00 C ATOM 177 CG LEU A 14 -5.062 9.017 5.123 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.549 9.054 5.348 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.429 8.339 3.802 1.00 0.00 C ATOM 0 H LEU A 14 -4.495 6.402 4.708 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.297 6.729 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.849 8.479 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.497 8.871 7.214 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.403 10.050 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.066 9.535 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.330 9.617 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.172 8.037 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.909 8.834 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.135 7.290 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.505 8.409 3.644 1.00 0.00 H new ATOM 191 N VAL A 15 -7.835 6.320 6.675 1.00 0.00 N ATOM 192 CA VAL A 15 -9.046 5.556 6.428 1.00 0.00 C ATOM 193 C VAL A 15 -10.265 6.414 6.775 1.00 0.00 C ATOM 194 O VAL A 15 -10.397 6.883 7.905 1.00 0.00 O ATOM 195 CB VAL A 15 -9.002 4.239 7.205 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.399 3.837 7.684 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.371 3.127 6.364 1.00 0.00 C ATOM 0 H VAL A 15 -7.960 7.135 7.275 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.123 5.293 5.373 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.377 4.391 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.339 2.897 8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.798 4.614 8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.057 3.713 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.352 2.202 6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.958 2.978 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.353 3.408 6.095 1.00 0.00 H new ATOM 207 N GLN A 16 -11.125 6.593 5.783 1.00 0.00 N ATOM 208 CA GLN A 16 -12.328 7.386 5.970 1.00 0.00 C ATOM 209 C GLN A 16 -13.564 6.577 5.573 1.00 0.00 C ATOM 210 O GLN A 16 -13.922 6.520 4.398 1.00 0.00 O ATOM 211 CB GLN A 16 -12.251 8.693 5.178 1.00 0.00 C ATOM 212 CG GLN A 16 -13.536 9.508 5.338 1.00 0.00 C ATOM 213 CD GLN A 16 -13.714 9.972 6.785 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.160 10.969 7.217 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.517 9.195 7.507 1.00 0.00 N ATOM 0 H GLN A 16 -11.013 6.203 4.847 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.410 7.643 7.026 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.399 9.280 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.084 8.474 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.507 10.373 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.393 8.905 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.949 8.374 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.701 9.420 8.485 1.00 0.00 H new ATOM 224 N PRO A 17 -14.198 5.955 6.603 1.00 0.00 N ATOM 225 CA PRO A 17 -15.387 5.151 6.373 1.00 0.00 C ATOM 226 C PRO A 17 -16.606 6.038 6.112 1.00 0.00 C ATOM 227 O PRO A 17 -17.330 5.833 5.138 1.00 0.00 O ATOM 228 CB PRO A 17 -15.531 4.297 7.622 1.00 0.00 C ATOM 229 CG PRO A 17 -14.696 4.979 8.693 1.00 0.00 C ATOM 230 CD PRO A 17 -13.803 6.000 8.007 1.00 0.00 C ATOM 0 HA PRO A 17 -15.306 4.524 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.575 4.225 7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.181 3.281 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.339 5.466 9.426 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.095 4.247 9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.946 6.996 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.749 5.750 8.130 1.00 0.00 H new ATOM 238 N THR A 18 -16.796 7.004 6.998 1.00 0.00 N ATOM 239 CA THR A 18 -17.915 7.923 6.875 1.00 0.00 C ATOM 240 C THR A 18 -17.415 9.334 6.562 1.00 0.00 C ATOM 241 O THR A 18 -16.436 9.503 5.837 1.00 0.00 O ATOM 242 CB THR A 18 -18.737 7.841 8.163 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.923 8.489 9.137 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.871 6.409 8.682 1.00 0.00 C ATOM 0 H THR A 18 -16.194 7.171 7.804 1.00 0.00 H new ATOM 0 HA THR A 18 -18.562 7.650 6.041 1.00 0.00 H new ATOM 0 HB THR A 18 -19.729 8.257 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.381 8.483 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.463 6.408 9.597 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.365 5.794 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.881 6.003 8.890 1.00 0.00 H new ATOM 252 N LYS A 19 -18.109 10.312 7.125 1.00 0.00 N ATOM 253 CA LYS A 19 -17.748 11.704 6.915 1.00 0.00 C ATOM 254 C LYS A 19 -17.660 12.413 8.268 1.00 0.00 C ATOM 255 O LYS A 19 -17.930 13.609 8.365 1.00 0.00 O ATOM 256 CB LYS A 19 -18.717 12.368 5.935 1.00 0.00 C ATOM 257 CG LYS A 19 -18.324 12.068 4.487 1.00 0.00 C ATOM 258 CD LYS A 19 -17.402 13.156 3.933 1.00 0.00 C ATOM 259 CE LYS A 19 -16.322 12.554 3.032 1.00 0.00 C ATOM 260 NZ LYS A 19 -15.777 13.582 2.118 1.00 0.00 N ATOM 0 H LYS A 19 -18.920 10.168 7.727 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.764 11.776 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.730 12.012 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.723 13.446 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.824 11.101 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.220 11.997 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.988 13.882 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.934 13.695 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.520 12.140 3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.740 11.730 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.045 13.156 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.542 13.958 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.360 14.355 2.674 1.00 0.00 H new ATOM 274 N ARG A 20 -17.280 11.645 9.279 1.00 0.00 N ATOM 275 CA ARG A 20 -17.153 12.185 10.622 1.00 0.00 C ATOM 276 C ARG A 20 -15.687 12.184 11.058 1.00 0.00 C ATOM 277 O ARG A 20 -14.921 11.302 10.671 1.00 0.00 O ATOM 278 CB ARG A 20 -17.977 11.372 11.623 1.00 0.00 C ATOM 279 CG ARG A 20 -19.453 11.343 11.222 1.00 0.00 C ATOM 280 CD ARG A 20 -20.150 12.651 11.602 1.00 0.00 C ATOM 281 NE ARG A 20 -21.570 12.607 11.188 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.497 11.830 11.764 1.00 0.00 C ATOM 283 NH1 ARG A 20 -22.160 11.028 12.782 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.762 11.855 11.321 1.00 0.00 N ATOM 0 H ARG A 20 -17.056 10.653 9.195 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.530 13.208 10.605 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.591 10.354 11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.875 11.804 12.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.539 11.180 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.950 10.506 11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.081 12.810 12.678 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.649 13.492 11.123 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.861 13.206 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.197 11.009 13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.866 10.436 13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.019 12.466 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.468 11.263 11.760 1.00 0.00 H new ATOM 298 N PRO A 21 -15.330 13.208 11.879 1.00 0.00 N ATOM 299 CA PRO A 21 -13.969 13.332 12.372 1.00 0.00 C ATOM 300 C PRO A 21 -13.688 12.307 13.472 1.00 0.00 C ATOM 301 O PRO A 21 -12.547 12.153 13.905 1.00 0.00 O ATOM 302 CB PRO A 21 -13.855 14.769 12.855 1.00 0.00 C ATOM 303 CG PRO A 21 -15.282 15.258 13.045 1.00 0.00 C ATOM 304 CD PRO A 21 -16.209 14.270 12.357 1.00 0.00 C ATOM 0 HA PRO A 21 -13.223 13.123 11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.295 14.824 13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.324 15.385 12.129 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.522 15.332 14.106 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.404 16.255 12.621 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.958 13.883 13.048 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.747 14.739 11.533 1.00 0.00 H new ATOM 312 N GLU A 22 -14.748 11.633 13.893 1.00 0.00 N ATOM 313 CA GLU A 22 -14.630 10.627 14.934 1.00 0.00 C ATOM 314 C GLU A 22 -14.645 9.225 14.322 1.00 0.00 C ATOM 315 O GLU A 22 -15.669 8.544 14.345 1.00 0.00 O ATOM 316 CB GLU A 22 -15.741 10.782 15.975 1.00 0.00 C ATOM 317 CG GLU A 22 -15.236 11.536 17.207 1.00 0.00 C ATOM 318 CD GLU A 22 -15.989 11.097 18.465 1.00 0.00 C ATOM 319 OE1 GLU A 22 -15.749 9.949 18.898 1.00 0.00 O ATOM 320 OE2 GLU A 22 -16.787 11.919 18.964 1.00 0.00 O ATOM 0 H GLU A 22 -15.693 11.764 13.532 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.677 10.770 15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.583 11.317 15.536 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.107 9.799 16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.169 11.356 17.336 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.362 12.608 17.059 1.00 0.00 H new ATOM 327 N GLY A 23 -13.496 8.835 13.789 1.00 0.00 N ATOM 328 CA GLY A 23 -13.364 7.526 13.172 1.00 0.00 C ATOM 329 C GLY A 23 -12.204 7.505 12.174 1.00 0.00 C ATOM 330 O GLY A 23 -11.510 6.498 12.044 1.00 0.00 O ATOM 0 H GLY A 23 -12.649 9.402 13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.200 6.772 13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.292 7.265 12.663 1.00 0.00 H new ATOM 334 N ARG A 24 -12.030 8.629 11.494 1.00 0.00 N ATOM 335 CA ARG A 24 -10.966 8.753 10.512 1.00 0.00 C ATOM 336 C ARG A 24 -9.628 9.009 11.208 1.00 0.00 C ATOM 337 O ARG A 24 -9.560 9.779 12.166 1.00 0.00 O ATOM 338 CB ARG A 24 -11.251 9.893 9.533 1.00 0.00 C ATOM 339 CG ARG A 24 -11.667 11.164 10.277 1.00 0.00 C ATOM 340 CD ARG A 24 -11.122 12.412 9.579 1.00 0.00 C ATOM 341 NE ARG A 24 -12.232 13.336 9.255 1.00 0.00 N ATOM 342 CZ ARG A 24 -12.109 14.408 8.460 1.00 0.00 C ATOM 343 NH1 ARG A 24 -10.925 14.697 7.904 1.00 0.00 N ATOM 344 NH2 ARG A 24 -13.170 15.190 8.222 1.00 0.00 N ATOM 0 H ARG A 24 -12.608 9.462 11.604 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.916 7.816 9.957 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.363 10.093 8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.041 9.596 8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.754 11.219 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.299 11.126 11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.398 12.912 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.596 12.128 8.667 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.148 13.145 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.117 14.101 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.831 15.513 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.071 14.970 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.077 16.006 7.617 1.00 0.00 H new ATOM 358 N THR A 25 -8.597 8.350 10.700 1.00 0.00 N ATOM 359 CA THR A 25 -7.265 8.497 11.261 1.00 0.00 C ATOM 360 C THR A 25 -6.204 8.247 10.188 1.00 0.00 C ATOM 361 O THR A 25 -6.477 7.597 9.180 1.00 0.00 O ATOM 362 CB THR A 25 -7.150 7.554 12.460 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.790 7.673 12.867 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.294 6.083 12.065 1.00 0.00 C ATOM 0 H THR A 25 -8.657 7.713 9.906 1.00 0.00 H new ATOM 0 HA THR A 25 -7.094 9.515 11.612 1.00 0.00 H new ATOM 0 HB THR A 25 -7.913 7.808 13.195 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.629 7.095 13.642 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.204 5.457 12.953 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.269 5.923 11.606 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.511 5.819 11.355 1.00 0.00 H new ATOM 372 N TYR A 26 -5.016 8.775 10.441 1.00 0.00 N ATOM 373 CA TYR A 26 -3.912 8.617 9.509 1.00 0.00 C ATOM 374 C TYR A 26 -2.798 7.764 10.118 1.00 0.00 C ATOM 375 O TYR A 26 -2.876 7.373 11.282 1.00 0.00 O ATOM 376 CB TYR A 26 -3.375 10.026 9.249 1.00 0.00 C ATOM 377 CG TYR A 26 -4.216 10.841 8.264 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.578 10.957 8.451 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.612 11.459 7.188 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.369 11.724 7.524 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.403 12.226 6.261 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.743 12.320 6.475 1.00 0.00 C ATOM 383 OH TYR A 26 -6.490 13.044 5.599 1.00 0.00 O ATOM 0 H TYR A 26 -4.793 9.313 11.278 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.247 8.122 8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.321 10.563 10.196 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.357 9.951 8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.051 10.473 9.293 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.546 11.367 7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.436 11.824 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.943 12.715 5.415 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.909 13.413 4.901 1.00 0.00 H new ATOM 393 N ALA A 27 -1.786 7.500 9.304 1.00 0.00 N ATOM 394 CA ALA A 27 -0.658 6.700 9.748 1.00 0.00 C ATOM 395 C ALA A 27 0.571 7.047 8.905 1.00 0.00 C ATOM 396 O ALA A 27 0.485 7.849 7.976 1.00 0.00 O ATOM 397 CB ALA A 27 -1.020 5.216 9.667 1.00 0.00 C ATOM 0 H ALA A 27 -1.724 7.826 8.340 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.418 6.920 10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.173 4.616 10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.880 5.016 10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.265 4.957 8.637 1.00 0.00 H new ATOM 403 N ASP A 28 1.687 6.426 9.259 1.00 0.00 N ATOM 404 CA ASP A 28 2.932 6.660 8.547 1.00 0.00 C ATOM 405 C ASP A 28 3.733 5.358 8.489 1.00 0.00 C ATOM 406 O ASP A 28 3.789 4.615 9.468 1.00 0.00 O ATOM 407 CB ASP A 28 3.786 7.710 9.260 1.00 0.00 C ATOM 408 CG ASP A 28 4.027 7.445 10.748 1.00 0.00 C ATOM 409 OD1 ASP A 28 3.018 7.383 11.483 1.00 0.00 O ATOM 410 OD2 ASP A 28 5.214 7.313 11.115 1.00 0.00 O ATOM 0 H ASP A 28 1.755 5.761 10.030 1.00 0.00 H new ATOM 0 HA ASP A 28 2.687 7.015 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.751 7.775 8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.305 8.682 9.153 1.00 0.00 H new ATOM 415 N TYR A 29 4.334 5.121 7.332 1.00 0.00 N ATOM 416 CA TYR A 29 5.129 3.921 7.134 1.00 0.00 C ATOM 417 C TYR A 29 6.473 4.256 6.484 1.00 0.00 C ATOM 418 O TYR A 29 6.736 5.411 6.154 1.00 0.00 O ATOM 419 CB TYR A 29 4.324 3.033 6.184 1.00 0.00 C ATOM 420 CG TYR A 29 3.130 2.339 6.843 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.014 3.072 7.195 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.168 0.981 7.085 1.00 0.00 C ATOM 423 CE1 TYR A 29 0.890 2.420 7.815 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.043 0.329 7.705 1.00 0.00 C ATOM 425 CZ TYR A 29 0.960 1.081 8.039 1.00 0.00 C ATOM 426 OH TYR A 29 -0.102 0.464 8.625 1.00 0.00 O ATOM 0 H TYR A 29 4.286 5.740 6.522 1.00 0.00 H new ATOM 0 HA TYR A 29 5.334 3.434 8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.965 3.640 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.985 2.275 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.984 4.135 7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.041 0.407 6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.011 2.982 8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.059 -0.733 7.900 1.00 0.00 H new ATOM 0 HH TYR A 29 0.088 -0.492 8.722 1.00 0.00 H new ATOM 436 N GLU A 30 7.288 3.224 6.320 1.00 0.00 N ATOM 437 CA GLU A 30 8.599 3.394 5.715 1.00 0.00 C ATOM 438 C GLU A 30 8.555 3.004 4.237 1.00 0.00 C ATOM 439 O GLU A 30 9.192 3.646 3.403 1.00 0.00 O ATOM 440 CB GLU A 30 9.658 2.585 6.465 1.00 0.00 C ATOM 441 CG GLU A 30 9.254 1.112 6.565 1.00 0.00 C ATOM 442 CD GLU A 30 10.431 0.251 7.028 1.00 0.00 C ATOM 443 OE1 GLU A 30 11.400 0.147 6.246 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.334 -0.284 8.154 1.00 0.00 O ATOM 0 H GLU A 30 7.066 2.267 6.595 1.00 0.00 H new ATOM 0 HA GLU A 30 8.877 4.446 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.616 2.669 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.795 2.997 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.424 1.005 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.902 0.761 5.595 1.00 0.00 H new ATOM 451 N SER A 31 7.798 1.954 3.957 1.00 0.00 N ATOM 452 CA SER A 31 7.663 1.470 2.593 1.00 0.00 C ATOM 453 C SER A 31 6.198 1.536 2.157 1.00 0.00 C ATOM 454 O SER A 31 5.300 1.598 2.994 1.00 0.00 O ATOM 455 CB SER A 31 8.193 0.041 2.461 1.00 0.00 C ATOM 456 OG SER A 31 9.553 -0.065 2.873 1.00 0.00 O ATOM 0 H SER A 31 7.271 1.424 4.651 1.00 0.00 H new ATOM 0 HA SER A 31 8.258 2.111 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.579 -0.630 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.102 -0.285 1.425 1.00 0.00 H new ATOM 0 HG SER A 31 9.853 -0.993 2.775 1.00 0.00 H new ATOM 462 N VAL A 32 6.003 1.520 0.846 1.00 0.00 N ATOM 463 CA VAL A 32 4.663 1.577 0.289 1.00 0.00 C ATOM 464 C VAL A 32 3.962 0.237 0.518 1.00 0.00 C ATOM 465 O VAL A 32 2.790 0.201 0.888 1.00 0.00 O ATOM 466 CB VAL A 32 4.727 1.974 -1.188 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.464 1.531 -1.929 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.954 3.479 -1.342 1.00 0.00 C ATOM 0 H VAL A 32 6.751 1.468 0.154 1.00 0.00 H new ATOM 0 HA VAL A 32 4.072 2.342 0.793 1.00 0.00 H new ATOM 0 HB VAL A 32 5.577 1.460 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.535 1.825 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.364 0.448 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.592 2.004 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.995 3.734 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.134 4.021 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.894 3.756 -0.865 1.00 0.00 H new ATOM 478 N ASN A 33 4.710 -0.832 0.288 1.00 0.00 N ATOM 479 CA ASN A 33 4.175 -2.172 0.465 1.00 0.00 C ATOM 480 C ASN A 33 3.630 -2.315 1.887 1.00 0.00 C ATOM 481 O ASN A 33 2.595 -2.945 2.099 1.00 0.00 O ATOM 482 CB ASN A 33 5.263 -3.230 0.267 1.00 0.00 C ATOM 483 CG ASN A 33 6.247 -3.230 1.438 1.00 0.00 C ATOM 484 OD1 ASN A 33 7.225 -2.501 1.461 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.935 -4.086 2.407 1.00 0.00 N ATOM 0 H ASN A 33 5.682 -0.798 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 33 3.388 -2.321 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.805 -4.215 0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.798 -3.037 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.530 -4.161 3.232 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.101 -4.668 2.325 1.00 0.00 H new ATOM 492 N GLU A 34 4.351 -1.719 2.826 1.00 0.00 N ATOM 493 CA GLU A 34 3.952 -1.773 4.222 1.00 0.00 C ATOM 494 C GLU A 34 2.637 -1.019 4.428 1.00 0.00 C ATOM 495 O GLU A 34 1.790 -1.443 5.212 1.00 0.00 O ATOM 496 CB GLU A 34 5.052 -1.214 5.128 1.00 0.00 C ATOM 497 CG GLU A 34 6.392 -1.897 4.848 1.00 0.00 C ATOM 498 CD GLU A 34 6.546 -3.167 5.687 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.811 -3.276 6.692 1.00 0.00 O ATOM 500 OE2 GLU A 34 7.395 -4.001 5.304 1.00 0.00 O ATOM 0 H GLU A 34 5.209 -1.197 2.647 1.00 0.00 H new ATOM 0 HA GLU A 34 3.796 -2.817 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.147 -0.140 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.777 -1.359 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.463 -2.146 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.208 -1.209 5.070 1.00 0.00 H new ATOM 507 N CYS A 35 2.507 0.087 3.710 1.00 0.00 N ATOM 508 CA CYS A 35 1.309 0.905 3.804 1.00 0.00 C ATOM 509 C CYS A 35 0.112 0.053 3.376 1.00 0.00 C ATOM 510 O CYS A 35 -0.929 0.067 4.030 1.00 0.00 O ATOM 511 CB CYS A 35 1.429 2.181 2.969 1.00 0.00 C ATOM 512 SG CYS A 35 -0.223 2.932 2.734 1.00 0.00 S ATOM 0 H CYS A 35 3.212 0.436 3.060 1.00 0.00 H new ATOM 0 HA CYS A 35 1.170 1.235 4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.092 2.889 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.874 1.952 2.001 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.110 4.016 2.025 1.00 0.00 H new ATOM 518 N MET A 36 0.301 -0.668 2.280 1.00 0.00 N ATOM 519 CA MET A 36 -0.750 -1.523 1.757 1.00 0.00 C ATOM 520 C MET A 36 -1.168 -2.572 2.790 1.00 0.00 C ATOM 521 O MET A 36 -2.358 -2.783 3.020 1.00 0.00 O ATOM 522 CB MET A 36 -0.256 -2.223 0.490 1.00 0.00 C ATOM 523 CG MET A 36 0.216 -1.205 -0.550 1.00 0.00 C ATOM 524 SD MET A 36 -1.070 -0.007 -0.859 1.00 0.00 S ATOM 525 CE MET A 36 -0.075 1.436 -1.197 1.00 0.00 C ATOM 0 H MET A 36 1.167 -0.677 1.740 1.00 0.00 H new ATOM 0 HA MET A 36 -1.616 -0.903 1.526 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.562 -2.899 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.057 -2.832 0.071 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.116 -0.702 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.480 -1.715 -1.477 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.717 2.315 -1.254 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.654 1.570 -0.398 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.446 1.305 -2.145 1.00 0.00 H new ATOM 535 N GLU A 37 -0.166 -3.203 3.384 1.00 0.00 N ATOM 536 CA GLU A 37 -0.414 -4.225 4.387 1.00 0.00 C ATOM 537 C GLU A 37 -1.611 -3.835 5.257 1.00 0.00 C ATOM 538 O GLU A 37 -2.673 -4.449 5.170 1.00 0.00 O ATOM 539 CB GLU A 37 0.831 -4.467 5.243 1.00 0.00 C ATOM 540 CG GLU A 37 1.317 -5.911 5.108 1.00 0.00 C ATOM 541 CD GLU A 37 2.048 -6.364 6.373 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.844 -5.704 7.414 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.796 -7.361 6.270 1.00 0.00 O ATOM 0 H GLU A 37 0.820 -3.026 3.190 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.650 -5.159 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.624 -3.783 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.606 -4.251 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.468 -6.568 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.983 -5.996 4.249 1.00 0.00 H new ATOM 550 N GLY A 38 -1.398 -2.815 6.077 1.00 0.00 N ATOM 551 CA GLY A 38 -2.446 -2.336 6.962 1.00 0.00 C ATOM 552 C GLY A 38 -3.821 -2.460 6.302 1.00 0.00 C ATOM 553 O GLY A 38 -4.701 -3.147 6.817 1.00 0.00 O ATOM 0 H GLY A 38 -0.516 -2.308 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.432 -2.907 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.257 -1.295 7.225 1.00 0.00 H new ATOM 557 N VAL A 39 -3.962 -1.784 5.171 1.00 0.00 N ATOM 558 CA VAL A 39 -5.214 -1.810 4.435 1.00 0.00 C ATOM 559 C VAL A 39 -5.717 -3.252 4.342 1.00 0.00 C ATOM 560 O VAL A 39 -6.888 -3.523 4.606 1.00 0.00 O ATOM 561 CB VAL A 39 -5.030 -1.152 3.066 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.229 -1.433 2.157 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.791 0.352 3.208 1.00 0.00 C ATOM 0 H VAL A 39 -3.230 -1.215 4.747 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.976 -1.233 4.959 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.147 -1.589 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.073 -0.954 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.335 -2.509 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.135 -1.037 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.663 0.795 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.646 0.811 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.893 0.523 3.801 1.00 0.00 H new ATOM 573 N CYS A 40 -4.807 -4.139 3.967 1.00 0.00 N ATOM 574 CA CYS A 40 -5.144 -5.547 3.837 1.00 0.00 C ATOM 575 C CYS A 40 -5.564 -6.070 5.212 1.00 0.00 C ATOM 576 O CYS A 40 -6.502 -6.858 5.320 1.00 0.00 O ATOM 577 CB CYS A 40 -3.984 -6.353 3.249 1.00 0.00 C ATOM 578 SG CYS A 40 -4.490 -8.097 3.015 1.00 0.00 S ATOM 0 H CYS A 40 -3.837 -3.910 3.749 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.972 -5.663 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.678 -5.923 2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.121 -6.302 3.913 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.499 -8.773 2.514 1.00 0.00 H new ATOM 584 N LYS A 41 -4.849 -5.609 6.228 1.00 0.00 N ATOM 585 CA LYS A 41 -5.136 -6.021 7.592 1.00 0.00 C ATOM 586 C LYS A 41 -6.610 -5.752 7.902 1.00 0.00 C ATOM 587 O LYS A 41 -7.319 -6.635 8.382 1.00 0.00 O ATOM 588 CB LYS A 41 -4.170 -5.349 8.569 1.00 0.00 C ATOM 589 CG LYS A 41 -2.723 -5.485 8.090 1.00 0.00 C ATOM 590 CD LYS A 41 -1.740 -5.219 9.232 1.00 0.00 C ATOM 591 CE LYS A 41 -0.637 -6.278 9.264 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.947 -7.320 10.269 1.00 0.00 N ATOM 0 H LYS A 41 -4.072 -4.955 6.134 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.976 -7.093 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.425 -4.294 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.274 -5.799 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.561 -6.487 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.538 -4.784 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.297 -4.231 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.274 -5.216 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.534 -6.734 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.318 -5.809 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.188 -8.031 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.023 -6.883 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.848 -7.779 10.027 1.00 0.00 H new ATOM 606 N MET A 42 -7.028 -4.528 7.614 1.00 0.00 N ATOM 607 CA MET A 42 -8.405 -4.131 7.856 1.00 0.00 C ATOM 608 C MET A 42 -9.362 -5.301 7.621 1.00 0.00 C ATOM 609 O MET A 42 -9.917 -5.855 8.569 1.00 0.00 O ATOM 610 CB MET A 42 -8.774 -2.974 6.926 1.00 0.00 C ATOM 611 CG MET A 42 -7.912 -1.743 7.212 1.00 0.00 C ATOM 612 SD MET A 42 -8.816 -0.258 6.810 1.00 0.00 S ATOM 613 CE MET A 42 -8.426 -0.118 5.074 1.00 0.00 C ATOM 0 H MET A 42 -6.437 -3.798 7.215 1.00 0.00 H new ATOM 0 HA MET A 42 -8.495 -3.816 8.895 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.643 -3.281 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.827 -2.722 7.053 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.621 -1.728 8.262 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.993 -1.789 6.628 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.252 0.367 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.520 0.476 4.951 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.268 -1.112 4.655 1.00 0.00 H new ATOM 623 N TYR A 43 -9.527 -5.644 6.352 1.00 0.00 N ATOM 624 CA TYR A 43 -10.407 -6.738 5.980 1.00 0.00 C ATOM 625 C TYR A 43 -10.073 -8.004 6.771 1.00 0.00 C ATOM 626 O TYR A 43 -10.967 -8.676 7.282 1.00 0.00 O ATOM 627 CB TYR A 43 -10.153 -6.997 4.494 1.00 0.00 C ATOM 628 CG TYR A 43 -11.277 -7.766 3.795 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.537 -7.211 3.700 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.030 -9.014 3.260 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.594 -7.934 3.042 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.087 -9.737 2.603 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.317 -9.162 2.526 1.00 0.00 C ATOM 634 OH TYR A 43 -14.316 -9.845 1.905 1.00 0.00 O ATOM 0 H TYR A 43 -9.066 -5.183 5.568 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.446 -6.482 6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.011 -6.042 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.223 -7.556 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.730 -6.235 4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.044 -9.448 3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.584 -7.511 2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.907 -10.715 2.180 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.872 -9.220 1.395 1.00 0.00 H new ATOM 644 N GLU A 44 -8.781 -8.292 6.847 1.00 0.00 N ATOM 645 CA GLU A 44 -8.317 -9.465 7.567 1.00 0.00 C ATOM 646 C GLU A 44 -8.877 -9.470 8.991 1.00 0.00 C ATOM 647 O GLU A 44 -9.369 -10.493 9.466 1.00 0.00 O ATOM 648 CB GLU A 44 -6.789 -9.533 7.578 1.00 0.00 C ATOM 649 CG GLU A 44 -6.248 -9.942 6.207 1.00 0.00 C ATOM 650 CD GLU A 44 -5.358 -11.182 6.316 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.776 -11.368 7.407 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.279 -11.915 5.307 1.00 0.00 O ATOM 0 H GLU A 44 -8.042 -7.733 6.422 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.683 -10.352 7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.380 -8.562 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.459 -10.248 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.078 -10.144 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.679 -9.118 5.776 1.00 0.00 H new ATOM 659 N GLU A 45 -8.782 -8.315 9.634 1.00 0.00 N ATOM 660 CA GLU A 45 -9.273 -8.173 10.994 1.00 0.00 C ATOM 661 C GLU A 45 -10.696 -8.723 11.105 1.00 0.00 C ATOM 662 O GLU A 45 -10.931 -9.711 11.799 1.00 0.00 O ATOM 663 CB GLU A 45 -9.212 -6.713 11.449 1.00 0.00 C ATOM 664 CG GLU A 45 -7.785 -6.170 11.360 1.00 0.00 C ATOM 665 CD GLU A 45 -7.069 -6.284 12.707 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.926 -7.433 13.178 1.00 0.00 O ATOM 667 OE2 GLU A 45 -6.681 -5.220 13.236 1.00 0.00 O ATOM 0 H GLU A 45 -8.372 -7.469 9.238 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.628 -8.753 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.874 -6.108 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.572 -6.633 12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.229 -6.721 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.808 -5.127 11.044 1.00 0.00 H new ATOM 674 N HIS A 46 -11.609 -8.060 10.411 1.00 0.00 N ATOM 675 CA HIS A 46 -13.003 -8.470 10.423 1.00 0.00 C ATOM 676 C HIS A 46 -13.103 -9.956 10.074 1.00 0.00 C ATOM 677 O HIS A 46 -14.095 -10.608 10.396 1.00 0.00 O ATOM 678 CB HIS A 46 -13.838 -7.585 9.496 1.00 0.00 C ATOM 679 CG HIS A 46 -15.011 -8.294 8.862 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.254 -8.373 9.465 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.117 -8.954 7.673 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.064 -9.053 8.667 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.357 -9.413 7.557 1.00 0.00 N ATOM 0 H HIS A 46 -11.411 -7.241 9.836 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.416 -8.339 11.423 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.206 -6.729 10.062 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.195 -7.193 8.708 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.326 -9.081 6.949 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.101 -9.282 8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.721 -9.947 6.768 1.00 0.00 H new ATOM 691 N LEU A 47 -12.062 -10.449 9.418 1.00 0.00 N ATOM 692 CA LEU A 47 -12.020 -11.846 9.021 1.00 0.00 C ATOM 693 C LEU A 47 -11.563 -12.696 10.208 1.00 0.00 C ATOM 694 O LEU A 47 -12.186 -13.707 10.529 1.00 0.00 O ATOM 695 CB LEU A 47 -11.157 -12.022 7.770 1.00 0.00 C ATOM 696 CG LEU A 47 -11.914 -12.235 6.458 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.938 -11.121 6.228 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.945 -12.374 5.282 1.00 0.00 C ATOM 0 H LEU A 47 -11.241 -9.905 9.152 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.016 -12.193 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.524 -11.141 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.494 -12.873 7.927 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.468 -13.171 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.462 -11.297 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.656 -11.112 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.426 -10.160 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.509 -12.525 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.345 -11.468 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.290 -13.229 5.450 1.00 0.00 H new ATOM 710 N LYS A 48 -10.479 -12.254 10.828 1.00 0.00 N ATOM 711 CA LYS A 48 -9.931 -12.962 11.973 1.00 0.00 C ATOM 712 C LYS A 48 -11.078 -13.491 12.836 1.00 0.00 C ATOM 713 O LYS A 48 -11.224 -14.701 13.006 1.00 0.00 O ATOM 714 CB LYS A 48 -8.949 -12.069 12.735 1.00 0.00 C ATOM 715 CG LYS A 48 -7.668 -12.832 13.079 1.00 0.00 C ATOM 716 CD LYS A 48 -6.438 -12.126 12.505 1.00 0.00 C ATOM 717 CE LYS A 48 -6.151 -12.599 11.079 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.700 -12.532 10.793 1.00 0.00 N ATOM 0 H LYS A 48 -9.965 -11.415 10.559 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.353 -13.826 11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.705 -11.194 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.417 -11.706 13.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.571 -12.917 14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.727 -13.846 12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.598 -11.048 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.573 -12.322 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.506 -13.621 10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.697 -11.980 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.554 -12.335 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.269 -11.774 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.256 -13.440 11.036 1.00 0.00 H new ATOM 732 N ARG A 49 -11.861 -12.560 13.359 1.00 0.00 N ATOM 733 CA ARG A 49 -12.991 -12.918 14.200 1.00 0.00 C ATOM 734 C ARG A 49 -13.836 -13.998 13.523 1.00 0.00 C ATOM 735 O ARG A 49 -14.298 -14.932 14.178 1.00 0.00 O ATOM 736 CB ARG A 49 -13.869 -11.699 14.490 1.00 0.00 C ATOM 737 CG ARG A 49 -14.048 -10.841 13.236 1.00 0.00 C ATOM 738 CD ARG A 49 -15.527 -10.716 12.864 1.00 0.00 C ATOM 739 NE ARG A 49 -15.985 -9.324 13.070 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.265 -8.974 13.258 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.222 -9.912 13.267 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.588 -7.686 13.437 1.00 0.00 N ATOM 0 H ARG A 49 -11.736 -11.558 13.217 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.596 -13.299 15.142 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.843 -12.026 14.853 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.418 -11.102 15.282 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.627 -9.850 13.406 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.497 -11.284 12.406 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.675 -11.006 11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.122 -11.397 13.472 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.282 -8.585 13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.976 -10.893 13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.196 -9.645 13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.860 -6.972 13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.562 -7.420 13.580 1.00 0.00 H new ATOM 756 N MET A 50 -14.013 -13.835 12.220 1.00 0.00 N ATOM 757 CA MET A 50 -14.795 -14.785 11.447 1.00 0.00 C ATOM 758 C MET A 50 -14.055 -16.116 11.303 1.00 0.00 C ATOM 759 O MET A 50 -14.667 -17.181 11.364 1.00 0.00 O ATOM 760 CB MET A 50 -15.077 -14.205 10.059 1.00 0.00 C ATOM 761 CG MET A 50 -16.030 -13.012 10.148 1.00 0.00 C ATOM 762 SD MET A 50 -17.526 -13.356 9.236 1.00 0.00 S ATOM 763 CE MET A 50 -16.830 -13.776 7.646 1.00 0.00 C ATOM 0 H MET A 50 -13.628 -13.060 11.680 1.00 0.00 H new ATOM 0 HA MET A 50 -15.733 -14.967 11.972 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.142 -13.894 9.594 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.510 -14.975 9.420 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.270 -12.805 11.191 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.548 -12.120 9.748 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.518 -13.473 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.879 -13.259 7.517 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.668 -14.853 7.593 1.00 0.00 H new ATOM 773 N ASN A 51 -12.747 -16.012 11.114 1.00 0.00 N ATOM 774 CA ASN A 51 -11.917 -17.195 10.961 1.00 0.00 C ATOM 775 C ASN A 51 -10.781 -17.151 11.985 1.00 0.00 C ATOM 776 O ASN A 51 -9.795 -16.440 11.795 1.00 0.00 O ATOM 777 CB ASN A 51 -11.293 -17.252 9.565 1.00 0.00 C ATOM 778 CG ASN A 51 -12.327 -16.919 8.488 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.780 -17.771 7.741 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.673 -15.636 8.450 1.00 0.00 N ATOM 0 H ASN A 51 -12.242 -15.127 11.063 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.547 -18.072 11.111 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.462 -16.550 9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.884 -18.246 9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.357 -15.312 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.255 -14.975 9.105 1.00 0.00 H new ATOM 787 N PRO A 52 -10.962 -17.941 13.078 1.00 0.00 N ATOM 788 CA PRO A 52 -9.964 -17.999 14.132 1.00 0.00 C ATOM 789 C PRO A 52 -8.751 -18.822 13.695 1.00 0.00 C ATOM 790 O PRO A 52 -7.624 -18.330 13.709 1.00 0.00 O ATOM 791 CB PRO A 52 -10.688 -18.597 15.327 1.00 0.00 C ATOM 792 CG PRO A 52 -11.925 -19.279 14.766 1.00 0.00 C ATOM 793 CD PRO A 52 -12.116 -18.796 13.337 1.00 0.00 C ATOM 0 HA PRO A 52 -9.557 -17.019 14.379 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.053 -19.311 15.852 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.960 -17.824 16.046 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.808 -20.362 14.790 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.800 -19.039 15.370 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.155 -19.632 12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.050 -18.245 13.227 1.00 0.00 H new ATOM 801 N ASN A 53 -9.023 -20.063 13.317 1.00 0.00 N ATOM 802 CA ASN A 53 -7.968 -20.959 12.876 1.00 0.00 C ATOM 803 C ASN A 53 -7.099 -20.246 11.839 1.00 0.00 C ATOM 804 O ASN A 53 -5.890 -20.466 11.780 1.00 0.00 O ATOM 805 CB ASN A 53 -8.550 -22.214 12.222 1.00 0.00 C ATOM 806 CG ASN A 53 -9.449 -21.850 11.039 1.00 0.00 C ATOM 807 OD1 ASN A 53 -9.005 -21.692 9.914 1.00 0.00 O ATOM 808 ND2 ASN A 53 -10.735 -21.725 11.356 1.00 0.00 N ATOM 0 H ASN A 53 -9.959 -20.469 13.307 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.382 -21.245 13.749 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.740 -22.860 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.122 -22.780 12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.416 -21.483 10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.040 -21.871 12.318 1.00 0.00 H new ATOM 815 N SER A 54 -7.748 -19.405 11.047 1.00 0.00 N ATOM 816 CA SER A 54 -7.048 -18.658 10.016 1.00 0.00 C ATOM 817 C SER A 54 -5.712 -18.146 10.556 1.00 0.00 C ATOM 818 O SER A 54 -5.670 -17.151 11.278 1.00 0.00 O ATOM 819 CB SER A 54 -7.898 -17.491 9.509 1.00 0.00 C ATOM 820 OG SER A 54 -7.830 -16.364 10.378 1.00 0.00 O ATOM 0 H SER A 54 -8.751 -19.225 11.099 1.00 0.00 H new ATOM 0 HA SER A 54 -6.860 -19.327 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.560 -17.202 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.935 -17.813 9.413 1.00 0.00 H new ATOM 0 HG SER A 54 -8.716 -16.191 10.759 1.00 0.00 H new ATOM 826 N PRO A 55 -4.624 -18.867 10.175 1.00 0.00 N ATOM 827 CA PRO A 55 -3.289 -18.496 10.613 1.00 0.00 C ATOM 828 C PRO A 55 -2.784 -17.268 9.853 1.00 0.00 C ATOM 829 O PRO A 55 -2.237 -16.344 10.452 1.00 0.00 O ATOM 830 CB PRO A 55 -2.438 -19.733 10.375 1.00 0.00 C ATOM 831 CG PRO A 55 -3.215 -20.590 9.388 1.00 0.00 C ATOM 832 CD PRO A 55 -4.635 -20.051 9.320 1.00 0.00 C ATOM 0 HA PRO A 55 -3.257 -18.203 11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.461 -19.464 9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.263 -20.272 11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.747 -20.558 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.217 -21.632 9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.914 -19.798 8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.356 -20.788 9.674 1.00 0.00 H new ATOM 840 N SER A 56 -2.984 -17.299 8.543 1.00 0.00 N ATOM 841 CA SER A 56 -2.556 -16.200 7.695 1.00 0.00 C ATOM 842 C SER A 56 -3.746 -15.657 6.901 1.00 0.00 C ATOM 843 O SER A 56 -3.606 -14.697 6.145 1.00 0.00 O ATOM 844 CB SER A 56 -1.441 -16.641 6.744 1.00 0.00 C ATOM 845 OG SER A 56 -0.253 -17.002 7.445 1.00 0.00 O ATOM 0 H SER A 56 -3.437 -18.068 8.049 1.00 0.00 H new ATOM 0 HA SER A 56 -2.162 -15.409 8.333 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.784 -17.489 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.219 -15.834 6.046 1.00 0.00 H new ATOM 0 HG SER A 56 0.434 -17.279 6.803 1.00 0.00 H new ATOM 851 N ILE A 57 -4.890 -16.295 7.101 1.00 0.00 N ATOM 852 CA ILE A 57 -6.103 -15.888 6.413 1.00 0.00 C ATOM 853 C ILE A 57 -5.930 -16.107 4.909 1.00 0.00 C ATOM 854 O ILE A 57 -4.819 -16.342 4.436 1.00 0.00 O ATOM 855 CB ILE A 57 -6.475 -14.452 6.787 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.665 -14.310 8.299 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.706 -13.983 6.008 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.043 -13.733 8.626 1.00 0.00 C ATOM 0 H ILE A 57 -5.002 -17.091 7.729 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.945 -16.504 6.730 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.648 -13.801 6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.552 -15.283 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.889 -13.662 8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.949 -12.959 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.497 -14.022 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.551 -14.633 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.152 -13.642 9.707 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.144 -12.749 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.816 -14.396 8.237 1.00 0.00 H new ATOM 870 N THR A 58 -7.045 -16.021 4.198 1.00 0.00 N ATOM 871 CA THR A 58 -7.030 -16.207 2.757 1.00 0.00 C ATOM 872 C THR A 58 -8.430 -15.990 2.177 1.00 0.00 C ATOM 873 O THR A 58 -9.413 -16.495 2.716 1.00 0.00 O ATOM 874 CB THR A 58 -6.460 -17.596 2.465 1.00 0.00 C ATOM 875 OG1 THR A 58 -5.764 -17.434 1.232 1.00 0.00 O ATOM 876 CG2 THR A 58 -7.550 -18.621 2.146 1.00 0.00 C ATOM 0 H THR A 58 -7.965 -15.825 4.593 1.00 0.00 H new ATOM 0 HA THR A 58 -6.392 -15.470 2.270 1.00 0.00 H new ATOM 0 HB THR A 58 -5.880 -17.938 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.361 -18.288 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.092 -19.590 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.227 -18.708 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.109 -18.297 1.268 1.00 0.00 H new ATOM 884 N TYR A 59 -8.473 -15.239 1.087 1.00 0.00 N ATOM 885 CA TYR A 59 -9.736 -14.950 0.428 1.00 0.00 C ATOM 886 C TYR A 59 -9.506 -14.258 -0.917 1.00 0.00 C ATOM 887 O TYR A 59 -8.364 -14.051 -1.326 1.00 0.00 O ATOM 888 CB TYR A 59 -10.487 -13.995 1.357 1.00 0.00 C ATOM 889 CG TYR A 59 -9.627 -12.853 1.903 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.335 -11.766 1.105 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.144 -12.910 3.195 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.526 -10.692 1.619 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.335 -11.836 3.709 1.00 0.00 C ATOM 894 CZ TYR A 59 -8.066 -10.779 2.896 1.00 0.00 C ATOM 895 OH TYR A 59 -7.301 -9.765 3.381 1.00 0.00 O ATOM 0 H TYR A 59 -7.655 -14.822 0.643 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.289 -15.870 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.335 -13.572 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.893 -14.563 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.713 -11.721 0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.373 -13.760 3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.290 -9.836 1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.950 -11.869 4.718 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.490 -9.679 2.838 1.00 0.00 H new ATOM 905 N ASP A 60 -10.609 -13.920 -1.569 1.00 0.00 N ATOM 906 CA ASP A 60 -10.542 -13.257 -2.860 1.00 0.00 C ATOM 907 C ASP A 60 -10.331 -11.756 -2.646 1.00 0.00 C ATOM 908 O ASP A 60 -11.084 -11.118 -1.911 1.00 0.00 O ATOM 909 CB ASP A 60 -11.843 -13.444 -3.644 1.00 0.00 C ATOM 910 CG ASP A 60 -12.120 -14.877 -4.103 1.00 0.00 C ATOM 911 OD1 ASP A 60 -12.213 -15.750 -3.214 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.231 -15.066 -5.334 1.00 0.00 O ATOM 0 H ASP A 60 -11.554 -14.093 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.717 -13.695 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.675 -13.110 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.818 -12.796 -4.520 1.00 0.00 H new ATOM 917 N ILE A 61 -9.305 -11.236 -3.302 1.00 0.00 N ATOM 918 CA ILE A 61 -8.985 -9.823 -3.194 1.00 0.00 C ATOM 919 C ILE A 61 -10.230 -8.996 -3.523 1.00 0.00 C ATOM 920 O ILE A 61 -10.490 -7.978 -2.884 1.00 0.00 O ATOM 921 CB ILE A 61 -7.772 -9.480 -4.061 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.549 -9.170 -3.194 1.00 0.00 C ATOM 923 CG2 ILE A 61 -8.094 -8.338 -5.027 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.284 -9.068 -4.049 1.00 0.00 C ATOM 0 H ILE A 61 -8.684 -11.768 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.697 -9.575 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.526 -10.353 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.706 -8.234 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.423 -9.950 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.215 -8.114 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.917 -8.633 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.380 -7.452 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.429 -8.847 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.116 -10.013 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.404 -8.271 -4.782 1.00 0.00 H new ATOM 936 N SER A 62 -10.966 -9.465 -4.520 1.00 0.00 N ATOM 937 CA SER A 62 -12.177 -8.782 -4.942 1.00 0.00 C ATOM 938 C SER A 62 -13.115 -8.595 -3.748 1.00 0.00 C ATOM 939 O SER A 62 -13.877 -7.631 -3.698 1.00 0.00 O ATOM 940 CB SER A 62 -12.885 -9.554 -6.057 1.00 0.00 C ATOM 941 OG SER A 62 -12.909 -8.823 -7.280 1.00 0.00 O ATOM 0 H SER A 62 -10.747 -10.310 -5.048 1.00 0.00 H new ATOM 0 HA SER A 62 -11.899 -7.804 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.381 -10.508 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.906 -9.780 -5.750 1.00 0.00 H new ATOM 0 HG SER A 62 -13.368 -9.350 -7.967 1.00 0.00 H new ATOM 947 N GLN A 63 -13.028 -9.532 -2.815 1.00 0.00 N ATOM 948 CA GLN A 63 -13.860 -9.482 -1.625 1.00 0.00 C ATOM 949 C GLN A 63 -13.323 -8.437 -0.646 1.00 0.00 C ATOM 950 O GLN A 63 -14.089 -7.651 -0.090 1.00 0.00 O ATOM 951 CB GLN A 63 -13.951 -10.858 -0.962 1.00 0.00 C ATOM 952 CG GLN A 63 -15.409 -11.253 -0.717 1.00 0.00 C ATOM 953 CD GLN A 63 -16.033 -11.857 -1.976 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.754 -11.454 -3.093 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.892 -12.843 -1.735 1.00 0.00 N ATOM 0 H GLN A 63 -12.394 -10.330 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.867 -9.190 -1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.470 -11.603 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.410 -10.846 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.462 -11.972 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.980 -10.377 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.081 -13.132 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.362 -13.311 -2.510 1.00 0.00 H new ATOM 964 N LEU A 64 -12.011 -8.461 -0.465 1.00 0.00 N ATOM 965 CA LEU A 64 -11.363 -7.524 0.438 1.00 0.00 C ATOM 966 C LEU A 64 -11.739 -6.096 0.040 1.00 0.00 C ATOM 967 O LEU A 64 -12.141 -5.298 0.886 1.00 0.00 O ATOM 968 CB LEU A 64 -9.854 -7.775 0.476 1.00 0.00 C ATOM 969 CG LEU A 64 -8.969 -6.529 0.551 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.412 -5.609 1.691 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.492 -6.911 0.664 1.00 0.00 C ATOM 0 H LEU A 64 -11.379 -9.114 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.714 -7.673 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.632 -8.406 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.577 -8.340 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.087 -5.971 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.766 -4.731 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.443 -5.296 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.343 -6.144 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.885 -6.007 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.337 -7.504 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.199 -7.495 -0.209 1.00 0.00 H new ATOM 983 N PHE A 65 -11.595 -5.816 -1.247 1.00 0.00 N ATOM 984 CA PHE A 65 -11.915 -4.498 -1.767 1.00 0.00 C ATOM 985 C PHE A 65 -13.422 -4.236 -1.709 1.00 0.00 C ATOM 986 O PHE A 65 -13.862 -3.094 -1.830 1.00 0.00 O ATOM 987 CB PHE A 65 -11.460 -4.470 -3.227 1.00 0.00 C ATOM 988 CG PHE A 65 -9.945 -4.575 -3.409 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.121 -4.462 -2.332 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.421 -4.783 -4.647 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.715 -4.560 -2.501 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.014 -4.880 -4.816 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.191 -4.767 -3.739 1.00 0.00 C ATOM 0 H PHE A 65 -11.261 -6.480 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.417 -3.733 -1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.938 -5.291 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.808 -3.545 -3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.537 -4.298 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.075 -4.874 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.061 -4.470 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.598 -5.043 -5.799 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.121 -4.842 -3.867 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.170 -5.314 -1.525 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.618 -5.216 -1.450 1.00 0.00 C ATOM 1005 C ASP A 66 -16.002 -4.278 -0.304 1.00 0.00 C ATOM 1006 O ASP A 66 -17.061 -3.653 -0.337 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.249 -6.582 -1.175 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.698 -6.731 -1.645 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.216 -5.744 -2.209 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.254 -7.829 -1.428 1.00 0.00 O ATOM 0 H ASP A 66 -13.801 -6.260 -1.426 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.981 -4.838 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.645 -7.349 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.209 -6.775 -0.103 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.121 -4.208 0.683 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.354 -3.357 1.837 1.00 0.00 C ATOM 1017 C PHE A 67 -14.708 -1.984 1.645 1.00 0.00 C ATOM 1018 O PHE A 67 -15.135 -1.003 2.252 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.709 -4.048 3.040 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.715 -3.170 3.802 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.152 -2.352 4.796 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.393 -3.208 3.485 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -13.229 -1.537 5.503 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.469 -2.393 4.192 1.00 0.00 C ATOM 1025 CZ PHE A 67 -11.907 -1.574 5.186 1.00 0.00 C ATOM 0 H PHE A 67 -14.244 -4.728 0.707 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.424 -3.208 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.493 -4.370 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.196 -4.947 2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.202 -2.322 5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.046 -3.858 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.577 -0.888 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.419 -2.424 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.205 -0.953 5.723 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.689 -1.958 0.798 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.980 -0.721 0.519 1.00 0.00 C ATOM 1037 C ILE A 68 -13.972 0.328 0.014 1.00 0.00 C ATOM 1038 O ILE A 68 -13.850 1.509 0.335 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.814 -0.976 -0.438 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.604 -1.540 0.309 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.463 0.288 -1.225 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.490 -1.930 -0.665 1.00 0.00 C ATOM 0 H ILE A 68 -13.338 -2.774 0.296 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.533 -0.324 1.431 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.126 -1.729 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.231 -0.799 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.905 -2.412 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.631 0.079 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.328 0.607 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.179 1.081 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.642 -2.328 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.859 -2.689 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.174 -1.051 -1.227 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.932 -0.141 -0.770 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.945 0.742 -1.323 1.00 0.00 C ATOM 1056 C ASP A 69 -16.860 1.230 -0.198 1.00 0.00 C ATOM 1057 O ASP A 69 -17.289 2.383 -0.197 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.810 0.012 -2.352 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.300 0.085 -3.793 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -15.374 -0.693 -4.108 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -16.848 0.918 -4.547 1.00 0.00 O ATOM 0 H ASP A 69 -15.030 -1.121 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.437 1.577 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.887 -1.036 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.817 0.427 -2.317 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.132 0.327 0.733 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.989 0.651 1.862 1.00 0.00 C ATOM 1068 C ASP A 70 -17.491 1.938 2.522 1.00 0.00 C ATOM 1069 O ASP A 70 -18.286 2.727 3.030 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.959 -0.461 2.912 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.173 -0.504 3.843 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.296 -0.337 3.319 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.951 -0.702 5.057 1.00 0.00 O ATOM 0 H ASP A 70 -16.774 -0.628 0.729 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.007 0.769 1.490 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.878 -1.420 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.060 -0.345 3.517 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.177 2.111 2.492 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.564 3.289 3.081 1.00 0.00 C ATOM 1080 C LEU A 71 -16.154 4.543 2.434 1.00 0.00 C ATOM 1081 O LEU A 71 -16.894 4.452 1.456 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.039 3.205 2.982 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.375 2.086 3.787 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.917 1.898 3.364 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.509 2.337 5.290 1.00 0.00 C ATOM 0 H LEU A 71 -15.521 1.455 2.069 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.789 3.344 4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.769 3.080 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.621 4.157 3.308 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.896 1.153 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.468 1.097 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.876 1.639 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.367 2.824 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.029 1.527 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.030 3.282 5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.564 2.381 5.559 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.805 5.686 3.007 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.291 6.957 2.499 1.00 0.00 C ATOM 1099 C ALA A 72 -15.359 7.447 1.389 1.00 0.00 C ATOM 1100 O ALA A 72 -15.818 7.971 0.374 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.403 7.958 3.650 1.00 0.00 C ATOM 0 H ALA A 72 -15.191 5.758 3.818 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.286 6.843 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.768 8.912 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.098 7.576 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.423 8.100 4.105 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.068 7.260 1.618 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.068 7.677 0.650 1.00 0.00 C ATOM 1109 C ASP A 73 -11.672 7.399 1.213 1.00 0.00 C ATOM 1110 O ASP A 73 -11.233 8.064 2.150 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.171 9.176 0.362 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.202 9.698 -0.701 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -10.994 9.761 -0.386 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -12.692 10.023 -1.805 1.00 0.00 O ATOM 0 H ASP A 73 -13.691 6.825 2.460 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.238 7.120 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.190 9.401 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.998 9.722 1.290 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.014 6.415 0.618 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.678 6.041 1.048 1.00 0.00 C ATOM 1121 C LEU A 74 -8.649 6.661 0.100 1.00 0.00 C ATOM 1122 O LEU A 74 -8.865 6.709 -1.110 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.561 4.521 1.173 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.140 3.963 1.272 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.580 4.136 2.685 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.090 2.505 0.810 1.00 0.00 C ATOM 0 H LEU A 74 -11.382 5.865 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.474 6.436 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.116 4.205 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.049 4.067 0.311 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.501 4.536 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.569 3.731 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.558 5.195 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.214 3.605 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.069 2.133 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.747 1.902 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.419 2.440 -0.227 1.00 0.00 H new ATOM 1138 N SER A 75 -7.553 7.119 0.685 1.00 0.00 N ATOM 1139 CA SER A 75 -6.490 7.734 -0.093 1.00 0.00 C ATOM 1140 C SER A 75 -5.127 7.328 0.472 1.00 0.00 C ATOM 1141 O SER A 75 -5.052 6.596 1.457 1.00 0.00 O ATOM 1142 CB SER A 75 -6.628 9.257 -0.106 1.00 0.00 C ATOM 1143 OG SER A 75 -7.989 9.671 -0.028 1.00 0.00 O ATOM 0 H SER A 75 -7.377 7.077 1.689 1.00 0.00 H new ATOM 0 HA SER A 75 -6.569 7.381 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.072 9.678 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.180 9.654 -1.017 1.00 0.00 H new ATOM 0 HG SER A 75 -8.034 10.650 -0.038 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.083 7.823 -0.177 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.727 7.522 0.248 1.00 0.00 C ATOM 1151 C CYS A 76 -1.804 8.625 -0.273 1.00 0.00 C ATOM 1152 O CYS A 76 -2.158 9.348 -1.202 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.281 6.136 -0.223 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.637 5.936 -2.006 1.00 0.00 S ATOM 0 H CYS A 76 -4.149 8.430 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.682 7.496 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.214 6.007 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.798 5.365 0.348 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.691 5.238 -2.562 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.638 8.720 0.349 1.00 0.00 N ATOM 1161 CA LEU A 77 0.339 9.723 -0.040 1.00 0.00 C ATOM 1162 C LEU A 77 1.683 9.043 -0.308 1.00 0.00 C ATOM 1163 O LEU A 77 2.290 8.480 0.602 1.00 0.00 O ATOM 1164 CB LEU A 77 0.411 10.835 1.008 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.854 11.680 1.177 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.419 12.098 -0.182 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.892 10.949 2.029 1.00 0.00 C ATOM 0 H LEU A 77 -0.348 8.119 1.120 1.00 0.00 H new ATOM 0 HA LEU A 77 0.037 10.209 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.655 10.385 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.236 11.499 0.749 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.587 12.593 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.317 12.697 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.675 12.686 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.667 11.209 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.781 11.571 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.162 10.009 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.475 10.744 3.015 1.00 0.00 H new ATOM 1179 N VAL A 78 2.108 9.117 -1.561 1.00 0.00 N ATOM 1180 CA VAL A 78 3.369 8.516 -1.960 1.00 0.00 C ATOM 1181 C VAL A 78 4.445 9.602 -2.039 1.00 0.00 C ATOM 1182 O VAL A 78 4.167 10.726 -2.452 1.00 0.00 O ATOM 1183 CB VAL A 78 3.193 7.753 -3.274 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.548 7.421 -3.902 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.360 6.486 -3.065 1.00 0.00 C ATOM 0 H VAL A 78 1.601 9.584 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 78 3.696 7.788 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 78 2.653 8.399 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.394 6.879 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.091 8.344 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.126 6.803 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.250 5.962 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.861 5.836 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.375 6.757 -2.684 1.00 0.00 H new ATOM 1195 N TYR A 79 5.650 9.226 -1.637 1.00 0.00 N ATOM 1196 CA TYR A 79 6.768 10.154 -1.657 1.00 0.00 C ATOM 1197 C TYR A 79 7.623 9.954 -2.910 1.00 0.00 C ATOM 1198 O TYR A 79 8.257 8.913 -3.074 1.00 0.00 O ATOM 1199 CB TYR A 79 7.610 9.827 -0.422 1.00 0.00 C ATOM 1200 CG TYR A 79 8.653 10.893 -0.079 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.665 11.179 -0.972 1.00 0.00 C ATOM 1202 CD2 TYR A 79 8.580 11.568 1.122 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.647 12.182 -0.650 1.00 0.00 C ATOM 1204 CE2 TYR A 79 9.562 12.571 1.445 1.00 0.00 C ATOM 1205 CZ TYR A 79 10.547 12.829 0.543 1.00 0.00 C ATOM 1206 OH TYR A 79 11.474 13.776 0.847 1.00 0.00 O ATOM 0 H TYR A 79 5.877 8.292 -1.296 1.00 0.00 H new ATOM 0 HA TYR A 79 6.412 11.184 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.947 9.694 0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.117 8.876 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.721 10.651 -1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.787 11.344 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.445 12.415 -1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.517 13.106 2.382 1.00 0.00 H new ATOM 0 HH TYR A 79 11.277 14.155 1.729 1.00 0.00 H new ATOM 1216 N ARG A 80 7.614 10.969 -3.761 1.00 0.00 N ATOM 1217 CA ARG A 80 8.381 10.919 -4.994 1.00 0.00 C ATOM 1218 C ARG A 80 9.516 11.944 -4.956 1.00 0.00 C ATOM 1219 O ARG A 80 9.370 13.056 -5.461 1.00 0.00 O ATOM 1220 CB ARG A 80 7.492 11.197 -6.208 1.00 0.00 C ATOM 1221 CG ARG A 80 6.382 12.191 -5.858 1.00 0.00 C ATOM 1222 CD ARG A 80 5.636 12.644 -7.114 1.00 0.00 C ATOM 1223 NE ARG A 80 4.674 11.601 -7.535 1.00 0.00 N ATOM 1224 CZ ARG A 80 4.990 10.557 -8.314 1.00 0.00 C ATOM 1225 NH1 ARG A 80 6.244 10.412 -8.762 1.00 0.00 N ATOM 1226 NH2 ARG A 80 4.051 9.660 -8.645 1.00 0.00 N ATOM 0 H ARG A 80 7.087 11.831 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 80 8.797 9.915 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.097 11.594 -7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.052 10.265 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.682 11.730 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.810 13.057 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.110 13.578 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.346 12.841 -7.917 1.00 0.00 H new ATOM 0 HE ARG A 80 3.710 11.682 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.958 11.096 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.485 9.618 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.096 9.772 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.291 8.865 -9.238 1.00 0.00 H new ATOM 1240 N ALA A 81 10.622 11.533 -4.353 1.00 0.00 N ATOM 1241 CA ALA A 81 11.781 12.402 -4.242 1.00 0.00 C ATOM 1242 C ALA A 81 12.048 13.064 -5.595 1.00 0.00 C ATOM 1243 O ALA A 81 12.602 14.161 -5.655 1.00 0.00 O ATOM 1244 CB ALA A 81 12.980 11.593 -3.742 1.00 0.00 C ATOM 0 H ALA A 81 10.740 10.610 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 81 11.598 13.195 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.850 12.245 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.750 11.168 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.195 10.789 -4.446 1.00 0.00 H new ATOM 1250 N ASP A 82 11.640 12.371 -6.648 1.00 0.00 N ATOM 1251 CA ASP A 82 11.828 12.878 -7.997 1.00 0.00 C ATOM 1252 C ASP A 82 11.308 14.314 -8.074 1.00 0.00 C ATOM 1253 O ASP A 82 11.906 15.160 -8.737 1.00 0.00 O ATOM 1254 CB ASP A 82 11.053 12.038 -9.014 1.00 0.00 C ATOM 1255 CG ASP A 82 11.342 12.368 -10.479 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.525 12.251 -10.865 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.373 12.732 -11.181 1.00 0.00 O ATOM 0 H ASP A 82 11.180 11.462 -6.594 1.00 0.00 H new ATOM 0 HA ASP A 82 12.892 12.833 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 82 11.281 10.986 -8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.986 12.167 -8.832 1.00 0.00 H new ATOM 1262 N THR A 83 10.198 14.545 -7.387 1.00 0.00 N ATOM 1263 CA THR A 83 9.590 15.865 -7.370 1.00 0.00 C ATOM 1264 C THR A 83 9.412 16.351 -5.931 1.00 0.00 C ATOM 1265 O THR A 83 8.857 17.424 -5.698 1.00 0.00 O ATOM 1266 CB THR A 83 8.278 15.791 -8.153 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.442 14.959 -7.353 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.422 15.020 -9.467 1.00 0.00 C ATOM 0 H THR A 83 9.704 13.841 -6.839 1.00 0.00 H new ATOM 0 HA THR A 83 10.232 16.603 -7.852 1.00 0.00 H new ATOM 0 HB THR A 83 7.923 16.800 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.510 15.061 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.462 14.998 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.162 15.512 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.745 14.000 -9.257 1.00 0.00 H new ATOM 1276 N GLN A 84 9.895 15.539 -5.002 1.00 0.00 N ATOM 1277 CA GLN A 84 9.796 15.873 -3.591 1.00 0.00 C ATOM 1278 C GLN A 84 8.402 16.415 -3.270 1.00 0.00 C ATOM 1279 O GLN A 84 8.236 17.610 -3.028 1.00 0.00 O ATOM 1280 CB GLN A 84 10.880 16.875 -3.188 1.00 0.00 C ATOM 1281 CG GLN A 84 12.162 16.156 -2.766 1.00 0.00 C ATOM 1282 CD GLN A 84 12.407 16.306 -1.263 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.766 17.087 -0.579 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.367 15.516 -0.790 1.00 0.00 N ATOM 0 H GLN A 84 10.356 14.651 -5.199 1.00 0.00 H new ATOM 0 HA GLN A 84 9.953 14.964 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.091 17.543 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.520 17.495 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.091 15.099 -3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.009 16.562 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.864 14.885 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.606 15.541 0.201 1.00 0.00 H new ATOM 1293 N THR A 85 7.434 15.510 -3.279 1.00 0.00 N ATOM 1294 CA THR A 85 6.059 15.883 -2.992 1.00 0.00 C ATOM 1295 C THR A 85 5.203 14.634 -2.772 1.00 0.00 C ATOM 1296 O THR A 85 5.615 13.526 -3.115 1.00 0.00 O ATOM 1297 CB THR A 85 5.560 16.768 -4.136 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.293 17.238 -3.684 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.231 15.965 -5.396 1.00 0.00 C ATOM 0 H THR A 85 7.575 14.520 -3.480 1.00 0.00 H new ATOM 0 HA THR A 85 5.989 16.454 -2.066 1.00 0.00 H new ATOM 0 HB THR A 85 6.315 17.519 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.899 17.822 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.882 16.640 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.125 15.445 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.452 15.237 -5.170 1.00 0.00 H new ATOM 1307 N TYR A 86 4.027 14.854 -2.202 1.00 0.00 N ATOM 1308 CA TYR A 86 3.110 13.760 -1.932 1.00 0.00 C ATOM 1309 C TYR A 86 1.896 13.820 -2.862 1.00 0.00 C ATOM 1310 O TYR A 86 1.122 14.775 -2.816 1.00 0.00 O ATOM 1311 CB TYR A 86 2.642 13.948 -0.488 1.00 0.00 C ATOM 1312 CG TYR A 86 1.757 15.178 -0.276 1.00 0.00 C ATOM 1313 CD1 TYR A 86 2.331 16.425 -0.135 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.385 15.041 -0.226 1.00 0.00 C ATOM 1315 CE1 TYR A 86 1.499 17.583 0.064 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.448 16.199 -0.027 1.00 0.00 C ATOM 1317 CZ TYR A 86 0.150 17.413 0.108 1.00 0.00 C ATOM 1318 OH TYR A 86 -0.636 18.506 0.297 1.00 0.00 O ATOM 0 H TYR A 86 3.688 15.774 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 86 3.601 12.800 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.093 13.060 -0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.516 14.026 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.405 16.532 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.064 14.065 -0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.936 18.564 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.523 16.105 0.014 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.578 18.234 0.306 1.00 0.00 H new ATOM 1328 N GLN A 87 1.768 12.789 -3.684 1.00 0.00 N ATOM 1329 CA GLN A 87 0.661 12.713 -4.622 1.00 0.00 C ATOM 1330 C GLN A 87 -0.495 11.916 -4.017 1.00 0.00 C ATOM 1331 O GLN A 87 -0.384 10.706 -3.821 1.00 0.00 O ATOM 1332 CB GLN A 87 1.111 12.104 -5.952 1.00 0.00 C ATOM 1333 CG GLN A 87 0.653 12.963 -7.132 1.00 0.00 C ATOM 1334 CD GLN A 87 -0.809 12.678 -7.483 1.00 0.00 C ATOM 1335 OE1 GLN A 87 -1.549 12.072 -6.726 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -1.181 13.147 -8.670 1.00 0.00 N ATOM 0 H GLN A 87 2.413 11.999 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 87 0.311 13.725 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.197 12.012 -5.965 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.705 11.097 -6.051 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.773 14.018 -6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.284 12.764 -7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.510 13.646 -9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.137 13.008 -8.996 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.607 12.644 -3.729 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.783 12.017 -3.149 1.00 0.00 C ATOM 1347 C PRO A 88 -3.544 11.204 -4.198 1.00 0.00 C ATOM 1348 O PRO A 88 -4.123 11.768 -5.126 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.600 13.165 -2.580 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.088 14.421 -3.265 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.774 14.078 -3.947 1.00 0.00 C ATOM 0 HA PRO A 88 -2.535 11.297 -2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.663 13.021 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.478 13.233 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.814 14.781 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.943 15.220 -2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.806 14.316 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.946 14.643 -3.519 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.519 9.892 -4.016 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.200 8.995 -4.935 1.00 0.00 C ATOM 1361 C TYR A 89 -5.538 8.531 -4.358 1.00 0.00 C ATOM 1362 O TYR A 89 -5.913 8.925 -3.254 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.281 7.783 -5.101 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.977 8.087 -5.841 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.951 9.056 -6.824 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.827 7.393 -5.526 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.724 9.342 -7.521 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.401 7.679 -6.223 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.391 8.639 -7.186 1.00 0.00 C ATOM 1370 OH TYR A 89 1.550 8.909 -7.844 1.00 0.00 O ATOM 0 H TYR A 89 -3.038 9.428 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.404 9.497 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.043 7.383 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.819 7.003 -5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.851 9.600 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.847 6.635 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.690 10.097 -8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.308 7.143 -5.986 1.00 0.00 H new ATOM 0 HH TYR A 89 1.347 9.211 -8.754 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.223 7.700 -5.130 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.511 7.177 -4.709 1.00 0.00 C ATOM 1382 C ASN A 90 -7.329 5.759 -4.164 1.00 0.00 C ATOM 1383 O ASN A 90 -6.205 5.271 -4.059 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.489 7.110 -5.884 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.730 8.499 -6.478 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -7.858 9.352 -6.501 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.958 8.678 -6.955 1.00 0.00 N ATOM 0 H ASN A 90 -5.910 7.376 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.911 7.843 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.094 6.446 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.435 6.684 -5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.218 9.572 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.640 7.921 -6.904 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.451 5.138 -3.832 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.429 3.786 -3.300 1.00 0.00 C ATOM 1396 C LYS A 91 -8.072 2.808 -4.421 1.00 0.00 C ATOM 1397 O LYS A 91 -7.419 1.793 -4.180 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.751 3.464 -2.600 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.943 3.799 -3.499 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.855 2.584 -3.676 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.250 2.859 -3.112 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.286 2.228 -3.960 1.00 0.00 N ATOM 0 H LYS A 91 -9.382 5.546 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.659 3.690 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.778 2.407 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.822 4.029 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.509 4.623 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.586 4.135 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.930 2.332 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.419 1.721 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.320 2.473 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.421 3.934 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.228 2.453 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.207 2.590 -4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.151 1.197 -3.963 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.515 3.147 -5.622 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.251 2.311 -6.781 1.00 0.00 C ATOM 1418 C ASP A 92 -6.739 2.136 -6.944 1.00 0.00 C ATOM 1419 O ASP A 92 -6.267 1.041 -7.245 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.792 2.954 -8.059 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.307 3.167 -8.084 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -10.775 4.007 -7.286 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.963 2.485 -8.901 1.00 0.00 O ATOM 0 H ASP A 92 -9.055 3.990 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.744 1.351 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.302 3.918 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.514 2.329 -8.908 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.023 3.231 -6.737 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.575 3.213 -6.857 1.00 0.00 C ATOM 1430 C TRP A 93 -4.023 2.283 -5.774 1.00 0.00 C ATOM 1431 O TRP A 93 -3.007 1.621 -5.979 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.000 4.628 -6.779 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.471 4.679 -6.772 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.648 4.899 -7.806 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.610 4.498 -5.628 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.325 4.872 -7.415 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.301 4.620 -6.048 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.927 4.238 -4.283 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.795 4.498 -5.185 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.820 4.119 -3.434 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.503 4.240 -3.841 1.00 0.00 C ATOM 0 H TRP A 93 -6.419 4.137 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.274 2.830 -7.832 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.369 5.206 -7.626 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.374 5.112 -5.876 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.979 5.075 -8.819 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.486 5.011 -8.018 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.944 4.138 -3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.811 4.598 -5.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.008 3.919 -2.389 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.303 4.135 -3.123 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.718 2.263 -4.646 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.310 1.425 -3.531 1.00 0.00 C ATOM 1454 C ILE A 94 -4.660 -0.032 -3.838 1.00 0.00 C ATOM 1455 O ILE A 94 -3.796 -0.906 -3.787 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.915 1.941 -2.224 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.672 3.443 -2.063 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.394 1.144 -1.026 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.728 4.075 -1.153 1.00 0.00 C ATOM 0 H ILE A 94 -5.561 2.813 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.229 1.471 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.994 1.792 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.679 3.612 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.693 3.925 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.840 1.531 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.661 0.094 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.310 1.238 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.532 5.143 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.717 3.926 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.688 3.607 -0.169 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.930 -0.248 -4.151 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.405 -1.585 -4.466 1.00 0.00 C ATOM 1473 C LYS A 95 -5.398 -2.276 -5.387 1.00 0.00 C ATOM 1474 O LYS A 95 -5.294 -3.502 -5.390 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.823 -1.528 -5.039 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.820 -1.036 -3.987 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.255 -1.382 -4.388 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.672 -0.617 -5.646 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.919 -1.184 -6.207 1.00 0.00 N ATOM 0 H LYS A 95 -6.644 0.480 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.475 -2.187 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.843 -0.864 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.117 -2.517 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.589 -1.488 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.723 0.043 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.338 -2.454 -4.566 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.933 -1.141 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.820 0.436 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.876 -0.666 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.188 -0.654 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.766 -2.183 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.680 -1.115 -5.502 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.681 -1.460 -6.145 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.685 -1.977 -7.068 1.00 0.00 C ATOM 1495 C GLU A 96 -2.429 -2.408 -6.308 1.00 0.00 C ATOM 1496 O GLU A 96 -2.064 -3.582 -6.319 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.347 -0.945 -8.145 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.532 -0.727 -9.088 1.00 0.00 C ATOM 1499 CD GLU A 96 -4.732 -1.936 -10.005 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -5.279 -2.943 -9.506 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -4.334 -1.825 -11.185 1.00 0.00 O ATOM 0 H GLU A 96 -4.770 -0.444 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.101 -2.852 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.073 -0.000 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.481 -1.280 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.437 -0.553 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.363 0.166 -9.689 1.00 0.00 H new ATOM 1508 N LYS A 97 -1.803 -1.434 -5.665 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.595 -1.697 -4.900 1.00 0.00 C ATOM 1510 C LYS A 97 -0.824 -2.909 -3.995 1.00 0.00 C ATOM 1511 O LYS A 97 -0.071 -3.880 -4.049 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.154 -0.441 -4.146 1.00 0.00 C ATOM 1513 CG LYS A 97 1.109 0.157 -4.768 1.00 0.00 C ATOM 1514 CD LYS A 97 0.898 0.460 -6.253 1.00 0.00 C ATOM 1515 CE LYS A 97 0.208 1.812 -6.444 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.944 2.635 -7.429 1.00 0.00 N ATOM 0 H LYS A 97 -2.109 -0.461 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 97 0.231 -1.947 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.956 0.297 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.033 -0.687 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.380 1.072 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.941 -0.537 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.859 0.462 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.295 -0.327 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.817 1.659 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.154 2.337 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.950 3.627 -7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.922 2.291 -7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.478 2.566 -8.356 1.00 0.00 H new ATOM 1530 N ILE A 98 -1.868 -2.814 -3.184 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.205 -3.890 -2.269 1.00 0.00 C ATOM 1532 C ILE A 98 -2.265 -5.210 -3.041 1.00 0.00 C ATOM 1533 O ILE A 98 -1.644 -6.194 -2.643 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.493 -3.564 -1.509 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.001 -4.786 -0.741 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.556 -2.995 -2.450 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.007 -4.376 0.337 1.00 0.00 C ATOM 0 H ILE A 98 -2.491 -2.008 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.432 -3.999 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.269 -2.792 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.469 -5.486 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.161 -5.306 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.461 -2.772 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.182 -2.081 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.784 -3.726 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.353 -5.263 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.529 -3.695 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.857 -3.878 -0.129 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.018 -5.188 -4.130 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.167 -6.371 -4.961 1.00 0.00 C ATOM 1551 C TYR A 99 -1.808 -6.862 -5.464 1.00 0.00 C ATOM 1552 O TYR A 99 -1.447 -8.019 -5.259 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.016 -5.940 -6.159 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.934 -6.892 -7.354 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -2.913 -6.759 -8.274 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -4.880 -7.884 -7.512 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -2.836 -7.655 -9.398 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -4.803 -8.780 -8.637 1.00 0.00 C ATOM 1559 CZ TYR A 99 -3.785 -8.621 -9.525 1.00 0.00 C ATOM 1560 OH TYR A 99 -3.712 -9.467 -10.587 1.00 0.00 O ATOM 0 H TYR A 99 -3.532 -4.370 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.624 -7.183 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.056 -5.858 -5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.700 -4.946 -6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.172 -5.983 -8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -5.678 -7.989 -6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.042 -7.562 -10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.537 -9.561 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.454 -10.106 -10.548 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.091 -5.956 -6.114 1.00 0.00 N ATOM 1571 CA VAL A 100 0.220 -6.283 -6.649 1.00 0.00 C ATOM 1572 C VAL A 100 1.138 -6.718 -5.505 1.00 0.00 C ATOM 1573 O VAL A 100 2.108 -7.443 -5.723 1.00 0.00 O ATOM 1574 CB VAL A 100 0.773 -5.096 -7.440 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.164 -5.408 -7.995 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.186 -4.691 -8.561 1.00 0.00 C ATOM 0 H VAL A 100 -1.393 -4.996 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 100 0.151 -7.118 -7.347 1.00 0.00 H new ATOM 0 HB VAL A 100 0.866 -4.252 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.534 -4.548 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.844 -5.626 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.106 -6.272 -8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.230 -3.845 -9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.325 -5.531 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.148 -4.408 -8.133 1.00 0.00 H new ATOM 1586 N LEU A 101 0.800 -6.257 -4.309 1.00 0.00 N ATOM 1587 CA LEU A 101 1.582 -6.590 -3.131 1.00 0.00 C ATOM 1588 C LEU A 101 1.331 -8.051 -2.753 1.00 0.00 C ATOM 1589 O LEU A 101 2.231 -8.734 -2.268 1.00 0.00 O ATOM 1590 CB LEU A 101 1.291 -5.603 -1.998 1.00 0.00 C ATOM 1591 CG LEU A 101 1.481 -6.137 -0.577 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.707 -5.508 0.086 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.213 -5.940 0.257 1.00 0.00 C ATOM 0 H LEU A 101 -0.005 -5.656 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 101 2.647 -6.493 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.935 -4.733 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.263 -5.257 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 101 1.663 -7.210 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.819 -5.905 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.597 -5.744 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.580 -4.426 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.375 -6.328 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.025 -4.878 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.615 -6.474 -0.209 1.00 0.00 H new ATOM 1605 N LEU A 102 0.102 -8.487 -2.989 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.279 -9.855 -2.679 1.00 0.00 C ATOM 1607 C LEU A 102 0.231 -10.784 -3.782 1.00 0.00 C ATOM 1608 O LEU A 102 0.521 -11.952 -3.530 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.788 -9.950 -2.444 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.313 -9.276 -1.175 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.161 -8.860 -0.259 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.228 -8.099 -1.517 1.00 0.00 C ATOM 0 H LEU A 102 -0.643 -7.917 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 102 0.187 -10.179 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.298 -9.511 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.065 -11.004 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.914 -10.001 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.561 -8.383 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.586 -9.741 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.513 -8.158 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.587 -7.638 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.672 -7.363 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.077 -8.456 -2.100 1.00 0.00 H new ATOM 1624 N ARG A 103 0.326 -10.230 -4.982 1.00 0.00 N ATOM 1625 CA ARG A 103 0.797 -10.994 -6.124 1.00 0.00 C ATOM 1626 C ARG A 103 2.178 -11.586 -5.835 1.00 0.00 C ATOM 1627 O ARG A 103 2.353 -12.803 -5.859 1.00 0.00 O ATOM 1628 CB ARG A 103 0.877 -10.120 -7.377 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.515 -9.657 -7.813 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.513 -10.815 -7.780 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.889 -12.038 -8.334 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.446 -13.255 -8.282 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.642 -13.421 -7.701 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.807 -14.307 -8.812 1.00 0.00 N ATOM 0 H ARG A 103 0.085 -9.261 -5.188 1.00 0.00 H new ATOM 0 HA ARG A 103 0.083 -11.798 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.507 -9.253 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.348 -10.679 -8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.858 -8.857 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.466 -9.243 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.839 -10.995 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.401 -10.557 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 103 0.022 -11.948 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.129 -12.620 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.066 -14.348 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.103 -14.181 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.231 -15.234 -8.773 1.00 0.00 H new ATOM 1648 N ARG A 104 3.123 -10.697 -5.568 1.00 0.00 N ATOM 1649 CA ARG A 104 4.483 -11.116 -5.274 1.00 0.00 C ATOM 1650 C ARG A 104 4.530 -11.873 -3.944 1.00 0.00 C ATOM 1651 O ARG A 104 5.121 -12.948 -3.859 1.00 0.00 O ATOM 1652 CB ARG A 104 5.426 -9.914 -5.201 1.00 0.00 C ATOM 1653 CG ARG A 104 5.005 -8.952 -4.089 1.00 0.00 C ATOM 1654 CD ARG A 104 5.643 -7.575 -4.284 1.00 0.00 C ATOM 1655 NE ARG A 104 7.079 -7.629 -3.931 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.552 -7.500 -2.683 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.705 -7.310 -1.662 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.871 -7.562 -2.457 1.00 0.00 N ATOM 0 H ARG A 104 2.974 -9.688 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 104 4.809 -11.772 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.445 -10.257 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.428 -9.391 -6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.919 -8.855 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.298 -9.359 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.526 -7.254 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 104 5.135 -6.838 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 104 7.751 -7.773 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.701 -7.264 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.065 -7.212 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.515 -7.707 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.231 -7.464 -1.508 1.00 0.00 H new ATOM 1672 N GLN A 105 3.899 -11.281 -2.941 1.00 0.00 N ATOM 1673 CA GLN A 105 3.861 -11.886 -1.620 1.00 0.00 C ATOM 1674 C GLN A 105 3.623 -13.393 -1.733 1.00 0.00 C ATOM 1675 O GLN A 105 4.190 -14.173 -0.970 1.00 0.00 O ATOM 1676 CB GLN A 105 2.793 -11.226 -0.746 1.00 0.00 C ATOM 1677 CG GLN A 105 3.408 -10.158 0.160 1.00 0.00 C ATOM 1678 CD GLN A 105 3.002 -10.375 1.619 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.205 -11.431 2.196 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.419 -9.320 2.181 1.00 0.00 N ATOM 0 H GLN A 105 3.410 -10.389 -3.016 1.00 0.00 H new ATOM 0 HA GLN A 105 4.826 -11.726 -1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.028 -10.775 -1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.298 -11.983 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.494 -10.185 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.086 -9.169 -0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.280 -8.466 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.111 -9.365 3.152 1.00 0.00 H new ATOM 1689 N ALA A 106 2.784 -13.757 -2.692 1.00 0.00 N ATOM 1690 CA ALA A 106 2.464 -15.157 -2.914 1.00 0.00 C ATOM 1691 C ALA A 106 3.749 -15.986 -2.849 1.00 0.00 C ATOM 1692 O ALA A 106 3.950 -16.753 -1.910 1.00 0.00 O ATOM 1693 CB ALA A 106 1.740 -15.309 -4.253 1.00 0.00 C ATOM 0 H ALA A 106 2.316 -13.107 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 106 1.794 -15.525 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.500 -16.359 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.820 -14.724 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.383 -14.952 -5.057 1.00 0.00 H new ATOM 1699 N GLN A 107 4.585 -15.802 -3.861 1.00 0.00 N ATOM 1700 CA GLN A 107 5.845 -16.523 -3.930 1.00 0.00 C ATOM 1701 C GLN A 107 6.908 -15.669 -4.623 1.00 0.00 C ATOM 1702 O GLN A 107 8.046 -15.595 -4.163 1.00 0.00 O ATOM 1703 CB GLN A 107 5.669 -17.865 -4.644 1.00 0.00 C ATOM 1704 CG GLN A 107 4.805 -18.818 -3.815 1.00 0.00 C ATOM 1705 CD GLN A 107 5.253 -20.269 -4.004 1.00 0.00 C ATOM 1706 OE1 GLN A 107 5.761 -20.659 -5.042 1.00 0.00 O ATOM 1707 NE2 GLN A 107 5.038 -21.044 -2.945 1.00 0.00 N ATOM 0 H GLN A 107 4.415 -15.165 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 107 6.180 -16.730 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.208 -17.705 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.645 -18.316 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.869 -18.548 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 107 3.760 -18.715 -4.108 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.608 -20.654 -2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.303 -22.029 -2.971 1.00 0.00 H new ATOM 1716 N GLN A 108 6.499 -15.045 -5.718 1.00 0.00 N ATOM 1717 CA GLN A 108 7.402 -14.198 -6.479 1.00 0.00 C ATOM 1718 C GLN A 108 8.056 -13.162 -5.563 1.00 0.00 C ATOM 1719 O GLN A 108 7.903 -13.221 -4.344 1.00 0.00 O ATOM 1720 CB GLN A 108 6.671 -13.521 -7.640 1.00 0.00 C ATOM 1721 CG GLN A 108 6.311 -14.535 -8.727 1.00 0.00 C ATOM 1722 CD GLN A 108 4.797 -14.745 -8.801 1.00 0.00 C ATOM 1723 OE1 GLN A 108 4.007 -13.872 -8.480 1.00 0.00 O ATOM 1724 NE2 GLN A 108 4.439 -15.947 -9.242 1.00 0.00 N ATOM 0 H GLN A 108 5.554 -15.109 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 108 8.186 -14.825 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.765 -13.039 -7.272 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.300 -12.737 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.681 -14.187 -9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.804 -15.485 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.152 -16.631 -9.494 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.451 -16.185 -9.329 1.00 0.00 H new ATOM 1733 N ALA A 109 8.771 -12.236 -6.185 1.00 0.00 N ATOM 1734 CA ALA A 109 9.448 -11.188 -5.441 1.00 0.00 C ATOM 1735 C ALA A 109 9.782 -10.032 -6.386 1.00 0.00 C ATOM 1736 O ALA A 109 9.561 -8.869 -6.052 1.00 0.00 O ATOM 1737 CB ALA A 109 10.693 -11.765 -4.764 1.00 0.00 C ATOM 0 H ALA A 109 8.896 -12.190 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 109 8.802 -10.796 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.201 -10.979 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.399 -12.563 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.367 -12.165 -5.522 1.00 0.00 H new ATOM 1743 N GLY A 110 10.308 -10.392 -7.548 1.00 0.00 N ATOM 1744 CA GLY A 110 10.674 -9.399 -8.543 1.00 0.00 C ATOM 1745 C GLY A 110 12.191 -9.206 -8.594 1.00 0.00 C ATOM 1746 O GLY A 110 12.812 -9.408 -9.636 1.00 0.00 O ATOM 0 H GLY A 110 10.489 -11.358 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.310 -9.710 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.191 -8.450 -8.310 1.00 0.00 H new ATOM 1750 N LYS A 111 12.744 -8.818 -7.454 1.00 0.00 N ATOM 1751 CA LYS A 111 14.177 -8.596 -7.355 1.00 0.00 C ATOM 1752 C LYS A 111 14.741 -9.439 -6.209 1.00 0.00 C ATOM 1753 O LYS A 111 14.036 -9.736 -5.247 1.00 0.00 O ATOM 1754 CB LYS A 111 14.480 -7.102 -7.226 1.00 0.00 C ATOM 1755 CG LYS A 111 14.427 -6.412 -8.591 1.00 0.00 C ATOM 1756 CD LYS A 111 14.817 -4.937 -8.475 1.00 0.00 C ATOM 1757 CE LYS A 111 14.326 -4.143 -9.687 1.00 0.00 C ATOM 1758 NZ LYS A 111 13.659 -2.895 -9.253 1.00 0.00 N ATOM 0 H LYS A 111 12.226 -8.652 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 111 14.677 -8.921 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 111 13.760 -6.638 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.466 -6.964 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.100 -6.917 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.422 -6.495 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.393 -4.516 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.900 -4.849 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.167 -3.905 -10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.633 -4.749 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.332 -2.368 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.845 -3.128 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.331 -2.311 -8.716 1.00 0.00 H new TER 1772 LYS A 111