USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 811 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 24 THR OG1 : rot 180:sc= 0.0261 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -4.43! C(o=-4.4!,f=-3.9!) USER MOD Set 2.1: A 12 THR OG1 : rot 7:sc= 0.164! USER MOD Set 2.2: A 19 SER OG : rot -28:sc= 0.167 USER MOD Set 3.1: A 4 MET CE :methyl -110:sc= -2.9 (180deg=-4.03!) USER MOD Set 3.2: A 27 MET CE :methyl -147:sc= -1.63! (180deg=-0.868) USER MOD Set 3.3: A 34 HIS : no HD1:sc= -9.41! C(o=-14!,f=-16!) USER MOD Set 3.4: A 80 THR OG1 : rot 160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.135 (180deg=-1.23) USER MOD Single : A 3 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.44) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.859 K(o=-0.86,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 130:sc= 0.799 USER MOD Single : A 25 MET CE :methyl -158:sc= -0.0995 (180deg=-1) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 1.11 (180deg=1.03) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.701 USER MOD Single : A 39 GLN : amide:sc= -0.0716 X(o=-0.072,f=-0.19!) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.363 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= -0.123 (180deg=-0.546) USER MOD Single : A 50 SER OG : rot -65:sc= -0.152 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.066) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 56 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.0042) USER MOD Single : A 60 SER OG : rot -22:sc= -1.62! USER MOD Single : A 61 MET CE :methyl -156:sc= -6.09! (180deg=-6.86!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.846 USER MOD Single : A 70 THR OG1 : rot 68:sc= 0.331 USER MOD Single : A 72 TYR OH : rot 143:sc= -3.25! USER MOD Single : A 81 SER OG : rot 59:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot -5:sc= 2.05 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.125 USER MOD Single : A 86 ASN : amide:sc= -1.1! X(o=-1.1!,f=-1.1) USER MOD Single : A 90 SER OG : rot 110:sc= -0.386 USER MOD Single : A 93 SER OG : rot 130:sc= -0.313 USER MOD Single : A 97 SER OG : rot -118:sc= -0.808 USER MOD Single : A 100 THR OG1 : rot 176:sc= 0.378 USER MOD Single : A 102 SER OG : rot 63:sc= 0.257 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.820 3.543 -5.337 1.00 0.00 N ATOM 2 CA MET A 1 11.812 4.649 -5.381 1.00 0.00 C ATOM 3 C MET A 1 11.573 5.556 -6.583 1.00 0.00 C ATOM 4 O MET A 1 11.677 6.776 -6.473 1.00 0.00 O ATOM 5 CB MET A 1 13.216 4.044 -5.446 1.00 0.00 C ATOM 6 CG MET A 1 13.447 2.933 -4.434 1.00 0.00 C ATOM 7 SD MET A 1 14.981 3.143 -3.508 1.00 0.00 S ATOM 8 CE MET A 1 16.154 2.356 -4.609 1.00 0.00 C ATOM 0 H1 MET A 1 10.613 3.301 -4.347 1.00 0.00 H new ATOM 0 H2 MET A 1 9.944 3.843 -5.810 1.00 0.00 H new ATOM 0 H3 MET A 1 11.208 2.709 -5.823 1.00 0.00 H new ATOM 0 HA MET A 1 11.707 5.259 -4.484 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.388 3.652 -6.449 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.950 4.832 -5.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.609 2.901 -3.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.468 1.974 -4.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.152 2.405 -4.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.873 1.313 -4.755 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.152 2.870 -5.570 1.00 0.00 H new ATOM 20 N ILE A 2 11.254 4.938 -7.723 1.00 0.00 N ATOM 21 CA ILE A 2 10.993 5.659 -8.972 1.00 0.00 C ATOM 22 C ILE A 2 12.125 6.624 -9.323 1.00 0.00 C ATOM 23 O ILE A 2 12.928 7.003 -8.472 1.00 0.00 O ATOM 24 CB ILE A 2 9.646 6.424 -8.934 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.244 6.860 -10.343 1.00 0.00 C ATOM 26 CG2 ILE A 2 9.717 7.634 -8.013 1.00 0.00 C ATOM 27 CD1 ILE A 2 7.841 7.421 -10.426 1.00 0.00 C ATOM 0 H ILE A 2 11.169 3.925 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 2 10.934 4.898 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 2 8.890 5.745 -8.539 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.949 7.613 -10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.325 6.006 -11.016 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.755 8.147 -8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.956 7.307 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.490 8.316 -8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.625 7.709 -11.455 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.127 6.664 -10.104 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.760 8.295 -9.780 1.00 0.00 H new ATOM 39 N GLN A 3 12.186 7.014 -10.592 1.00 0.00 N ATOM 40 CA GLN A 3 13.219 7.932 -11.060 1.00 0.00 C ATOM 41 C GLN A 3 12.697 9.359 -11.100 1.00 0.00 C ATOM 42 O GLN A 3 13.381 10.301 -10.698 1.00 0.00 O ATOM 43 CB GLN A 3 13.711 7.514 -12.446 1.00 0.00 C ATOM 44 CG GLN A 3 12.711 7.787 -13.557 1.00 0.00 C ATOM 45 CD GLN A 3 13.215 7.346 -14.917 1.00 0.00 C ATOM 46 OE1 GLN A 3 13.641 6.205 -15.094 1.00 0.00 O ATOM 47 NE2 GLN A 3 13.170 8.252 -15.886 1.00 0.00 N ATOM 0 H GLN A 3 11.533 6.709 -11.314 1.00 0.00 H new ATOM 0 HA GLN A 3 14.053 7.891 -10.360 1.00 0.00 H new ATOM 0 HB2 GLN A 3 14.639 8.041 -12.667 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.945 6.449 -12.433 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.777 7.271 -13.335 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.487 8.853 -13.585 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.809 9.186 -15.694 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.497 8.014 -16.822 1.00 0.00 H new ATOM 56 N MET A 4 11.477 9.501 -11.584 1.00 0.00 N ATOM 57 CA MET A 4 10.831 10.805 -11.685 1.00 0.00 C ATOM 58 C MET A 4 9.519 10.817 -10.906 1.00 0.00 C ATOM 59 O MET A 4 9.250 9.917 -10.110 1.00 0.00 O ATOM 60 CB MET A 4 10.571 11.160 -13.150 1.00 0.00 C ATOM 61 CG MET A 4 11.382 12.347 -13.646 1.00 0.00 C ATOM 62 SD MET A 4 10.985 13.877 -12.776 1.00 0.00 S ATOM 63 CE MET A 4 10.537 14.945 -14.144 1.00 0.00 C ATOM 0 H MET A 4 10.906 8.724 -11.917 1.00 0.00 H new ATOM 0 HA MET A 4 11.500 11.550 -11.254 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.797 10.293 -13.770 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.511 11.377 -13.279 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.444 12.131 -13.526 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.203 12.484 -14.712 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.304 15.708 -14.276 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.453 14.353 -15.055 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.581 15.424 -13.934 1.00 0.00 H new ATOM 73 N ALA A 5 8.706 11.841 -11.140 1.00 0.00 N ATOM 74 CA ALA A 5 7.423 11.969 -10.462 1.00 0.00 C ATOM 75 C ALA A 5 6.458 12.831 -11.272 1.00 0.00 C ATOM 76 O ALA A 5 6.640 14.045 -11.373 1.00 0.00 O ATOM 77 CB ALA A 5 7.619 12.565 -9.076 1.00 0.00 C ATOM 0 H ALA A 5 8.914 12.595 -11.795 1.00 0.00 H new ATOM 0 HA ALA A 5 6.990 10.973 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.653 12.656 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.269 11.916 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.075 13.551 -9.165 1.00 0.00 H new ATOM 83 N PRO A 6 5.415 12.221 -11.862 1.00 0.00 N ATOM 84 CA PRO A 6 4.429 12.953 -12.661 1.00 0.00 C ATOM 85 C PRO A 6 3.827 14.128 -11.895 1.00 0.00 C ATOM 86 O PRO A 6 3.829 14.143 -10.665 1.00 0.00 O ATOM 87 CB PRO A 6 3.360 11.902 -12.962 1.00 0.00 C ATOM 88 CG PRO A 6 4.073 10.598 -12.866 1.00 0.00 C ATOM 89 CD PRO A 6 5.113 10.779 -11.798 1.00 0.00 C ATOM 0 HA PRO A 6 4.871 13.392 -13.555 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.538 11.957 -12.248 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.931 12.046 -13.954 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.384 9.793 -12.609 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.532 10.332 -13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.737 10.490 -10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.998 10.173 -11.991 1.00 0.00 H new ATOM 97 N PRO A 7 3.303 15.133 -12.617 1.00 0.00 N ATOM 98 CA PRO A 7 2.699 16.316 -11.997 1.00 0.00 C ATOM 99 C PRO A 7 1.344 16.014 -11.369 1.00 0.00 C ATOM 100 O PRO A 7 0.984 14.853 -11.170 1.00 0.00 O ATOM 101 CB PRO A 7 2.542 17.286 -13.169 1.00 0.00 C ATOM 102 CG PRO A 7 2.429 16.414 -14.372 1.00 0.00 C ATOM 103 CD PRO A 7 3.263 15.195 -14.089 1.00 0.00 C ATOM 0 HA PRO A 7 3.308 16.706 -11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.657 17.911 -13.049 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.398 17.956 -13.245 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.390 16.140 -14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.786 16.931 -15.262 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.817 14.297 -14.516 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.263 15.287 -14.513 1.00 0.00 H new ATOM 111 N SER A 8 0.598 17.067 -11.061 1.00 0.00 N ATOM 112 CA SER A 8 -0.720 16.923 -10.459 1.00 0.00 C ATOM 113 C SER A 8 -1.807 17.164 -11.499 1.00 0.00 C ATOM 114 O SER A 8 -2.185 18.304 -11.765 1.00 0.00 O ATOM 115 CB SER A 8 -0.882 17.904 -9.295 1.00 0.00 C ATOM 116 OG SER A 8 -0.221 17.433 -8.135 1.00 0.00 O ATOM 0 H SER A 8 0.885 18.033 -11.219 1.00 0.00 H new ATOM 0 HA SER A 8 -0.817 15.906 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.479 18.877 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.941 18.047 -9.081 1.00 0.00 H new ATOM 0 HG SER A 8 -0.338 18.078 -7.407 1.00 0.00 H new ATOM 122 N LEU A 9 -2.301 16.082 -12.092 1.00 0.00 N ATOM 123 CA LEU A 9 -3.339 16.182 -13.109 1.00 0.00 C ATOM 124 C LEU A 9 -4.711 16.375 -12.477 1.00 0.00 C ATOM 125 O LEU A 9 -5.052 15.724 -11.489 1.00 0.00 O ATOM 126 CB LEU A 9 -3.349 14.935 -13.992 1.00 0.00 C ATOM 127 CG LEU A 9 -4.167 15.071 -15.277 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.818 16.369 -15.989 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.937 13.877 -16.191 1.00 0.00 C ATOM 0 H LEU A 9 -2.000 15.129 -11.886 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.115 17.053 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.322 14.684 -14.256 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.742 14.099 -13.413 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.224 15.095 -15.013 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.407 16.453 -16.902 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.039 17.213 -15.336 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.757 16.372 -16.240 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.529 13.995 -17.099 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.880 13.816 -16.452 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.237 12.963 -15.678 1.00 0.00 H new ATOM 141 N ASN A 10 -5.494 17.269 -13.064 1.00 0.00 N ATOM 142 CA ASN A 10 -6.835 17.553 -12.575 1.00 0.00 C ATOM 143 C ASN A 10 -7.665 18.213 -13.675 1.00 0.00 C ATOM 144 O ASN A 10 -7.276 19.239 -14.235 1.00 0.00 O ATOM 145 CB ASN A 10 -6.759 18.425 -11.304 1.00 0.00 C ATOM 146 CG ASN A 10 -7.849 19.481 -11.194 1.00 0.00 C ATOM 147 OD1 ASN A 10 -9.013 19.167 -10.945 1.00 0.00 O ATOM 148 ND2 ASN A 10 -7.471 20.740 -11.380 1.00 0.00 N ATOM 0 H ASN A 10 -5.222 17.812 -13.883 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.332 16.621 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.811 17.776 -10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.788 18.920 -11.276 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.157 21.493 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.495 20.955 -11.584 1.00 0.00 H new ATOM 155 N VAL A 11 -8.806 17.611 -13.976 1.00 0.00 N ATOM 156 CA VAL A 11 -9.695 18.131 -15.006 1.00 0.00 C ATOM 157 C VAL A 11 -10.601 19.220 -14.444 1.00 0.00 C ATOM 158 O VAL A 11 -11.198 19.058 -13.380 1.00 0.00 O ATOM 159 CB VAL A 11 -10.563 17.015 -15.620 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.480 17.580 -16.695 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.688 15.908 -16.186 1.00 0.00 C ATOM 0 H VAL A 11 -9.139 16.761 -13.521 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.064 18.554 -15.788 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.184 16.590 -14.832 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.085 16.777 -17.116 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.133 18.334 -16.256 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.880 18.034 -17.483 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.319 15.129 -16.615 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.039 16.317 -16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.078 15.483 -15.389 1.00 0.00 H new ATOM 171 N THR A 12 -10.695 20.330 -15.167 1.00 0.00 N ATOM 172 CA THR A 12 -11.525 21.451 -14.743 1.00 0.00 C ATOM 173 C THR A 12 -12.392 21.949 -15.882 1.00 0.00 C ATOM 174 O THR A 12 -11.911 22.225 -16.982 1.00 0.00 O ATOM 175 CB THR A 12 -10.655 22.591 -14.213 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.193 23.404 -15.276 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.444 22.114 -13.441 1.00 0.00 C ATOM 0 H THR A 12 -10.206 20.478 -16.050 1.00 0.00 H new ATOM 0 HA THR A 12 -12.176 21.100 -13.943 1.00 0.00 H new ATOM 0 HB THR A 12 -11.298 23.152 -13.535 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.622 23.124 -16.112 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.872 22.974 -13.094 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.768 21.524 -12.584 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.819 21.499 -14.088 1.00 0.00 H new ATOM 185 N LYS A 13 -13.677 22.056 -15.599 1.00 0.00 N ATOM 186 CA LYS A 13 -14.647 22.519 -16.583 1.00 0.00 C ATOM 187 C LYS A 13 -14.620 24.040 -16.696 1.00 0.00 C ATOM 188 O LYS A 13 -14.045 24.725 -15.851 1.00 0.00 O ATOM 189 CB LYS A 13 -16.052 22.048 -16.204 1.00 0.00 C ATOM 190 CG LYS A 13 -16.596 20.964 -17.120 1.00 0.00 C ATOM 191 CD LYS A 13 -17.739 21.483 -17.975 1.00 0.00 C ATOM 192 CE LYS A 13 -19.059 20.833 -17.596 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.621 21.405 -16.340 1.00 0.00 N ATOM 0 H LYS A 13 -14.079 21.827 -14.690 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.379 22.096 -17.551 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.037 21.674 -15.180 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.730 22.901 -16.222 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.797 20.594 -17.763 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.941 20.120 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.819 22.564 -17.860 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.525 21.289 -19.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.775 20.966 -18.407 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.913 19.760 -17.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.521 20.935 -16.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.950 21.256 -15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.785 22.424 -16.466 1.00 0.00 H new ATOM 207 N ASP A 14 -15.245 24.562 -17.748 1.00 0.00 N ATOM 208 CA ASP A 14 -15.290 26.003 -17.971 1.00 0.00 C ATOM 209 C ASP A 14 -16.595 26.411 -18.648 1.00 0.00 C ATOM 210 O ASP A 14 -16.611 27.289 -19.511 1.00 0.00 O ATOM 211 CB ASP A 14 -14.099 26.443 -18.826 1.00 0.00 C ATOM 212 CG ASP A 14 -13.777 25.452 -19.927 1.00 0.00 C ATOM 213 OD1 ASP A 14 -13.228 24.374 -19.613 1.00 0.00 O ATOM 214 OD2 ASP A 14 -14.071 25.753 -21.103 1.00 0.00 O ATOM 0 H ASP A 14 -15.726 24.010 -18.458 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.237 26.497 -17.001 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.313 27.416 -19.269 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.224 26.569 -18.188 1.00 0.00 H new ATOM 219 N GLY A 15 -17.686 25.766 -18.251 1.00 0.00 N ATOM 220 CA GLY A 15 -18.981 26.075 -18.828 1.00 0.00 C ATOM 221 C GLY A 15 -19.498 24.978 -19.739 1.00 0.00 C ATOM 222 O GLY A 15 -20.664 24.991 -20.133 1.00 0.00 O ATOM 0 H GLY A 15 -17.697 25.035 -17.540 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.700 26.243 -18.026 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.909 27.005 -19.392 1.00 0.00 H new ATOM 226 N ASP A 16 -18.633 24.027 -20.072 1.00 0.00 N ATOM 227 CA ASP A 16 -19.009 22.916 -20.940 1.00 0.00 C ATOM 228 C ASP A 16 -17.783 22.101 -21.337 1.00 0.00 C ATOM 229 O ASP A 16 -17.757 20.881 -21.171 1.00 0.00 O ATOM 230 CB ASP A 16 -19.721 23.430 -22.194 1.00 0.00 C ATOM 231 CG ASP A 16 -18.993 24.592 -22.839 1.00 0.00 C ATOM 232 OD1 ASP A 16 -17.940 25.002 -22.307 1.00 0.00 O ATOM 233 OD2 ASP A 16 -19.475 25.092 -23.877 1.00 0.00 O ATOM 0 H ASP A 16 -17.664 24.003 -19.754 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.692 22.272 -20.385 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.812 22.617 -22.915 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.733 23.739 -21.932 1.00 0.00 H new ATOM 238 N SER A 17 -16.768 22.782 -21.859 1.00 0.00 N ATOM 239 CA SER A 17 -15.538 22.119 -22.276 1.00 0.00 C ATOM 240 C SER A 17 -14.742 21.649 -21.064 1.00 0.00 C ATOM 241 O SER A 17 -15.051 22.010 -19.928 1.00 0.00 O ATOM 242 CB SER A 17 -14.686 23.063 -23.126 1.00 0.00 C ATOM 243 OG SER A 17 -15.028 22.967 -24.497 1.00 0.00 O ATOM 0 H SER A 17 -16.773 23.792 -22.003 1.00 0.00 H new ATOM 0 HA SER A 17 -15.807 21.249 -22.875 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.825 24.089 -22.785 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.631 22.823 -22.994 1.00 0.00 H new ATOM 0 HG SER A 17 -14.470 23.582 -25.017 1.00 0.00 H new ATOM 249 N TYR A 18 -13.717 20.842 -21.312 1.00 0.00 N ATOM 250 CA TYR A 18 -12.876 20.325 -20.238 1.00 0.00 C ATOM 251 C TYR A 18 -11.403 20.598 -20.517 1.00 0.00 C ATOM 252 O TYR A 18 -11.002 20.787 -21.666 1.00 0.00 O ATOM 253 CB TYR A 18 -13.100 18.821 -20.063 1.00 0.00 C ATOM 254 CG TYR A 18 -14.516 18.459 -19.679 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.542 18.517 -20.613 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.826 18.060 -18.384 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.838 18.186 -20.269 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.121 17.727 -18.033 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.123 17.793 -18.978 1.00 0.00 C ATOM 260 OH TYR A 18 -18.414 17.462 -18.633 1.00 0.00 O ATOM 0 H TYR A 18 -13.448 20.532 -22.246 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.155 20.838 -19.318 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.844 18.314 -20.993 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.419 18.448 -19.298 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.323 18.826 -21.624 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.044 18.009 -17.641 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.625 18.235 -21.007 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.347 17.417 -17.023 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.419 16.594 -18.177 1.00 0.00 H new ATOM 270 N SER A 19 -10.605 20.613 -19.457 1.00 0.00 N ATOM 271 CA SER A 19 -9.174 20.858 -19.575 1.00 0.00 C ATOM 272 C SER A 19 -8.429 20.223 -18.407 1.00 0.00 C ATOM 273 O SER A 19 -8.971 20.107 -17.308 1.00 0.00 O ATOM 274 CB SER A 19 -8.892 22.360 -19.624 1.00 0.00 C ATOM 275 OG SER A 19 -9.370 23.006 -18.457 1.00 0.00 O ATOM 0 H SER A 19 -10.927 20.458 -18.502 1.00 0.00 H new ATOM 0 HA SER A 19 -8.822 20.406 -20.502 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.820 22.529 -19.724 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.366 22.794 -20.504 1.00 0.00 H new ATOM 0 HG SER A 19 -10.129 22.504 -18.093 1.00 0.00 H new ATOM 281 N LEU A 20 -7.191 19.808 -18.649 1.00 0.00 N ATOM 282 CA LEU A 20 -6.385 19.178 -17.608 1.00 0.00 C ATOM 283 C LEU A 20 -5.403 20.178 -17.009 1.00 0.00 C ATOM 284 O LEU A 20 -4.752 20.929 -17.731 1.00 0.00 O ATOM 285 CB LEU A 20 -5.616 17.968 -18.159 1.00 0.00 C ATOM 286 CG LEU A 20 -6.055 17.457 -19.534 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.342 16.155 -19.868 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.562 17.265 -19.582 1.00 0.00 C ATOM 0 H LEU A 20 -6.725 19.895 -19.552 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.065 18.834 -16.829 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.559 18.229 -18.212 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.707 17.150 -17.444 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.783 18.204 -20.280 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.665 15.805 -20.848 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.265 16.322 -19.879 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.585 15.404 -19.116 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.851 16.902 -20.568 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.861 16.539 -18.826 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.056 18.217 -19.387 1.00 0.00 H new ATOM 300 N ARG A 21 -5.303 20.183 -15.685 1.00 0.00 N ATOM 301 CA ARG A 21 -4.399 21.093 -14.995 1.00 0.00 C ATOM 302 C ARG A 21 -3.257 20.333 -14.334 1.00 0.00 C ATOM 303 O ARG A 21 -3.380 19.862 -13.203 1.00 0.00 O ATOM 304 CB ARG A 21 -5.162 21.905 -13.953 1.00 0.00 C ATOM 305 CG ARG A 21 -4.407 23.127 -13.457 1.00 0.00 C ATOM 306 CD ARG A 21 -5.189 24.407 -13.707 1.00 0.00 C ATOM 307 NE ARG A 21 -4.771 25.492 -12.824 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.707 26.257 -13.048 1.00 0.00 C ATOM 309 NH1 ARG A 21 -2.951 26.048 -14.116 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.398 27.232 -12.203 1.00 0.00 N ATOM 0 H ARG A 21 -5.836 19.568 -15.070 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.973 21.772 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.113 22.225 -14.380 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.394 21.263 -13.103 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.208 23.024 -12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.441 23.187 -13.958 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.057 24.714 -14.744 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.252 24.214 -13.564 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.327 25.673 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.185 25.299 -14.768 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.135 26.636 -14.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.977 27.396 -11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.581 27.818 -12.377 1.00 0.00 H new ATOM 324 N TRP A 22 -2.145 20.223 -15.048 1.00 0.00 N ATOM 325 CA TRP A 22 -0.969 19.527 -14.538 1.00 0.00 C ATOM 326 C TRP A 22 0.153 20.518 -14.243 1.00 0.00 C ATOM 327 O TRP A 22 0.529 21.319 -15.099 1.00 0.00 O ATOM 328 CB TRP A 22 -0.488 18.472 -15.542 1.00 0.00 C ATOM 329 CG TRP A 22 -0.178 19.031 -16.896 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.916 19.763 -17.240 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.963 18.901 -18.086 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.858 20.109 -18.568 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.287 19.590 -19.111 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.171 18.272 -18.385 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.783 19.666 -20.409 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.660 18.347 -19.673 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.970 19.038 -20.670 1.00 0.00 C ATOM 0 H TRP A 22 -2.031 20.608 -15.986 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.246 19.025 -13.611 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.403 17.985 -15.146 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.253 17.702 -15.642 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.715 20.033 -16.566 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.554 20.662 -19.068 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.715 17.735 -17.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.251 20.201 -21.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.594 17.862 -19.914 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.381 19.078 -21.668 1.00 0.00 H new ATOM 348 N GLU A 23 0.681 20.463 -13.023 1.00 0.00 N ATOM 349 CA GLU A 23 1.756 21.363 -12.617 1.00 0.00 C ATOM 350 C GLU A 23 2.937 20.581 -12.052 1.00 0.00 C ATOM 351 O GLU A 23 2.757 19.585 -11.351 1.00 0.00 O ATOM 352 CB GLU A 23 1.247 22.362 -11.576 1.00 0.00 C ATOM 353 CG GLU A 23 1.738 23.784 -11.804 1.00 0.00 C ATOM 354 CD GLU A 23 0.682 24.825 -11.487 1.00 0.00 C ATOM 355 OE1 GLU A 23 -0.480 24.639 -11.904 1.00 0.00 O ATOM 356 OE2 GLU A 23 1.017 25.826 -10.819 1.00 0.00 O ATOM 0 H GLU A 23 0.383 19.807 -12.301 1.00 0.00 H new ATOM 0 HA GLU A 23 2.093 21.907 -13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.157 22.358 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.561 22.033 -10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.617 23.964 -11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.051 23.894 -12.842 1.00 0.00 H new ATOM 363 N THR A 24 4.147 21.039 -12.361 1.00 0.00 N ATOM 364 CA THR A 24 5.357 20.382 -11.881 1.00 0.00 C ATOM 365 C THR A 24 6.009 21.191 -10.764 1.00 0.00 C ATOM 366 O THR A 24 5.741 22.382 -10.605 1.00 0.00 O ATOM 367 CB THR A 24 6.357 20.189 -13.026 1.00 0.00 C ATOM 368 OG1 THR A 24 6.355 21.310 -13.890 1.00 0.00 O ATOM 369 CG2 THR A 24 6.084 18.961 -13.866 1.00 0.00 C ATOM 0 H THR A 24 4.315 21.861 -12.941 1.00 0.00 H new ATOM 0 HA THR A 24 5.071 19.406 -11.488 1.00 0.00 H new ATOM 0 HB THR A 24 7.325 20.066 -12.540 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.001 21.167 -14.613 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.830 18.888 -14.657 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.133 18.072 -13.237 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.091 19.037 -14.310 1.00 0.00 H new ATOM 377 N MET A 25 6.871 20.533 -10.001 1.00 0.00 N ATOM 378 CA MET A 25 7.575 21.179 -8.900 1.00 0.00 C ATOM 379 C MET A 25 8.466 20.180 -8.172 1.00 0.00 C ATOM 380 O MET A 25 8.623 20.241 -6.952 1.00 0.00 O ATOM 381 CB MET A 25 6.584 21.811 -7.922 1.00 0.00 C ATOM 382 CG MET A 25 5.600 20.818 -7.324 1.00 0.00 C ATOM 383 SD MET A 25 4.124 20.607 -8.338 1.00 0.00 S ATOM 384 CE MET A 25 3.316 22.188 -8.098 1.00 0.00 C ATOM 0 H MET A 25 7.101 19.547 -10.125 1.00 0.00 H new ATOM 0 HA MET A 25 8.203 21.967 -9.316 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.138 22.291 -7.115 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.028 22.595 -8.437 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.093 19.853 -7.201 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.308 21.156 -6.330 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.252 22.090 -8.316 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.447 22.510 -7.065 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.757 22.927 -8.767 1.00 0.00 H new ATOM 394 N LYS A 26 9.050 19.263 -8.936 1.00 0.00 N ATOM 395 CA LYS A 26 9.934 18.246 -8.383 1.00 0.00 C ATOM 396 C LYS A 26 11.278 18.272 -9.102 1.00 0.00 C ATOM 397 O LYS A 26 11.986 17.265 -9.160 1.00 0.00 O ATOM 398 CB LYS A 26 9.289 16.865 -8.517 1.00 0.00 C ATOM 399 CG LYS A 26 8.301 16.547 -7.408 1.00 0.00 C ATOM 400 CD LYS A 26 6.866 16.609 -7.907 1.00 0.00 C ATOM 401 CE LYS A 26 6.639 15.663 -9.075 1.00 0.00 C ATOM 402 NZ LYS A 26 6.209 16.390 -10.301 1.00 0.00 N ATOM 0 H LYS A 26 8.925 19.204 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 26 10.099 18.457 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.777 16.804 -9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.072 16.106 -8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.506 15.553 -7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.433 17.253 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.186 16.354 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.630 17.628 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.558 15.114 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.882 14.927 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.309 15.766 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.215 16.678 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.803 17.234 -10.431 1.00 0.00 H new ATOM 416 N MET A 27 11.616 19.432 -9.655 1.00 0.00 N ATOM 417 CA MET A 27 12.863 19.609 -10.380 1.00 0.00 C ATOM 418 C MET A 27 13.434 20.997 -10.123 1.00 0.00 C ATOM 419 O MET A 27 14.378 21.160 -9.350 1.00 0.00 O ATOM 420 CB MET A 27 12.626 19.412 -11.877 1.00 0.00 C ATOM 421 CG MET A 27 12.578 17.953 -12.298 1.00 0.00 C ATOM 422 SD MET A 27 10.947 17.218 -12.074 1.00 0.00 S ATOM 423 CE MET A 27 9.990 18.142 -13.273 1.00 0.00 C ATOM 0 H MET A 27 11.035 20.270 -9.612 1.00 0.00 H new ATOM 0 HA MET A 27 13.580 18.867 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 27 11.688 19.893 -12.154 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.418 19.916 -12.431 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.868 17.872 -13.346 1.00 0.00 H new ATOM 0 HG3 MET A 27 13.309 17.388 -11.720 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.972 18.269 -12.906 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.445 19.120 -13.426 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.970 17.600 -14.218 1.00 0.00 H new ATOM 433 N ARG A 28 12.845 21.997 -10.771 1.00 0.00 N ATOM 434 CA ARG A 28 13.279 23.382 -10.611 1.00 0.00 C ATOM 435 C ARG A 28 14.793 23.503 -10.757 1.00 0.00 C ATOM 436 O ARG A 28 15.410 24.399 -10.182 1.00 0.00 O ATOM 437 CB ARG A 28 12.850 23.930 -9.244 1.00 0.00 C ATOM 438 CG ARG A 28 11.658 23.207 -8.625 1.00 0.00 C ATOM 439 CD ARG A 28 11.440 23.632 -7.182 1.00 0.00 C ATOM 440 NE ARG A 28 12.688 23.671 -6.426 1.00 0.00 N ATOM 441 CZ ARG A 28 12.852 24.375 -5.311 1.00 0.00 C ATOM 442 NH1 ARG A 28 11.851 25.096 -4.824 1.00 0.00 N ATOM 443 NH2 ARG A 28 14.019 24.357 -4.680 1.00 0.00 N ATOM 0 H ARG A 28 12.063 21.874 -11.414 1.00 0.00 H new ATOM 0 HA ARG A 28 12.803 23.969 -11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.695 23.866 -8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.604 24.987 -9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.761 23.417 -9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.821 22.130 -8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.973 24.617 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.747 22.941 -6.702 1.00 0.00 H new ATOM 0 HE ARG A 28 13.478 23.128 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.952 25.111 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.980 25.635 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.791 23.803 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.144 24.898 -3.824 1.00 0.00 H new ATOM 457 N TYR A 29 15.387 22.595 -11.526 1.00 0.00 N ATOM 458 CA TYR A 29 16.831 22.608 -11.739 1.00 0.00 C ATOM 459 C TYR A 29 17.259 23.844 -12.523 1.00 0.00 C ATOM 460 O TYR A 29 17.710 24.832 -11.944 1.00 0.00 O ATOM 461 CB TYR A 29 17.274 21.340 -12.475 1.00 0.00 C ATOM 462 CG TYR A 29 17.490 20.160 -11.554 1.00 0.00 C ATOM 463 CD1 TYR A 29 18.470 20.196 -10.570 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.713 19.014 -11.667 1.00 0.00 C ATOM 465 CE1 TYR A 29 18.670 19.122 -9.723 1.00 0.00 C ATOM 466 CE2 TYR A 29 16.908 17.936 -10.822 1.00 0.00 C ATOM 467 CZ TYR A 29 17.887 17.996 -9.854 1.00 0.00 C ATOM 468 OH TYR A 29 18.083 16.926 -9.011 1.00 0.00 O ATOM 0 H TYR A 29 14.894 21.845 -12.010 1.00 0.00 H new ATOM 0 HA TYR A 29 17.314 22.638 -10.762 1.00 0.00 H new ATOM 0 HB2 TYR A 29 16.522 21.078 -13.219 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.199 21.545 -13.015 1.00 0.00 H new ATOM 0 HD1 TYR A 29 19.085 21.077 -10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.946 18.964 -12.425 1.00 0.00 H new ATOM 0 HE1 TYR A 29 19.436 19.165 -8.963 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.296 17.052 -10.921 1.00 0.00 H new ATOM 0 HH TYR A 29 17.449 16.213 -9.234 1.00 0.00 H new ATOM 478 N GLU A 30 17.117 23.781 -13.842 1.00 0.00 N ATOM 479 CA GLU A 30 17.491 24.896 -14.704 1.00 0.00 C ATOM 480 C GLU A 30 16.606 24.941 -15.944 1.00 0.00 C ATOM 481 O GLU A 30 15.542 24.324 -15.983 1.00 0.00 O ATOM 482 CB GLU A 30 18.961 24.780 -15.114 1.00 0.00 C ATOM 483 CG GLU A 30 19.887 24.419 -13.964 1.00 0.00 C ATOM 484 CD GLU A 30 21.341 24.332 -14.388 1.00 0.00 C ATOM 485 OE1 GLU A 30 22.039 25.367 -14.336 1.00 0.00 O ATOM 486 OE2 GLU A 30 21.784 23.228 -14.770 1.00 0.00 O ATOM 0 H GLU A 30 16.746 22.970 -14.337 1.00 0.00 H new ATOM 0 HA GLU A 30 17.350 25.821 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.053 24.025 -15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 30 19.285 25.727 -15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.787 25.164 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.578 23.463 -13.541 1.00 0.00 H new ATOM 493 N HIS A 31 17.053 25.674 -16.958 1.00 0.00 N ATOM 494 CA HIS A 31 16.302 25.795 -18.202 1.00 0.00 C ATOM 495 C HIS A 31 16.212 24.448 -18.910 1.00 0.00 C ATOM 496 O HIS A 31 16.928 24.195 -19.878 1.00 0.00 O ATOM 497 CB HIS A 31 16.959 26.828 -19.118 1.00 0.00 C ATOM 498 CG HIS A 31 17.050 28.191 -18.507 1.00 0.00 C ATOM 499 ND1 HIS A 31 17.834 29.199 -19.027 1.00 0.00 N ATOM 500 CD2 HIS A 31 16.449 28.712 -17.412 1.00 0.00 C ATOM 501 CE1 HIS A 31 17.712 30.280 -18.277 1.00 0.00 C ATOM 502 NE2 HIS A 31 16.875 30.011 -17.292 1.00 0.00 N ATOM 0 H HIS A 31 17.931 26.193 -16.943 1.00 0.00 H new ATOM 0 HA HIS A 31 15.292 26.127 -17.962 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.961 26.487 -19.378 1.00 0.00 H new ATOM 0 HB3 HIS A 31 16.393 26.891 -20.047 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.762 28.200 -16.755 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.212 31.223 -18.442 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.591 30.663 -16.561 1.00 0.00 H new ATOM 511 N ILE A 32 15.333 23.585 -18.415 1.00 0.00 N ATOM 512 CA ILE A 32 15.156 22.261 -18.997 1.00 0.00 C ATOM 513 C ILE A 32 14.065 22.257 -20.057 1.00 0.00 C ATOM 514 O ILE A 32 14.083 21.434 -20.973 1.00 0.00 O ATOM 515 CB ILE A 32 14.801 21.215 -17.926 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.838 21.226 -16.803 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.701 19.832 -18.552 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.585 20.179 -15.740 1.00 0.00 C ATOM 0 H ILE A 32 14.733 23.778 -17.613 1.00 0.00 H new ATOM 0 HA ILE A 32 16.109 22.000 -19.457 1.00 0.00 H new ATOM 0 HB ILE A 32 13.832 21.470 -17.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.828 21.067 -17.231 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.847 22.211 -16.337 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.449 19.102 -17.783 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.925 19.834 -19.318 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.657 19.567 -19.005 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.358 20.243 -14.975 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.609 20.350 -15.285 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.605 19.188 -16.193 1.00 0.00 H new ATOM 530 N ASP A 33 13.105 23.169 -19.923 1.00 0.00 N ATOM 531 CA ASP A 33 11.989 23.263 -20.865 1.00 0.00 C ATOM 532 C ASP A 33 10.926 22.219 -20.535 1.00 0.00 C ATOM 533 O ASP A 33 9.755 22.550 -20.348 1.00 0.00 O ATOM 534 CB ASP A 33 12.471 23.086 -22.310 1.00 0.00 C ATOM 535 CG ASP A 33 11.593 23.813 -23.308 1.00 0.00 C ATOM 536 OD1 ASP A 33 10.354 23.766 -23.155 1.00 0.00 O ATOM 537 OD2 ASP A 33 12.145 24.429 -24.245 1.00 0.00 O ATOM 0 H ASP A 33 13.076 23.856 -19.169 1.00 0.00 H new ATOM 0 HA ASP A 33 11.551 24.257 -20.770 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.494 23.453 -22.396 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.492 22.024 -22.555 1.00 0.00 H new ATOM 542 N HIS A 34 11.342 20.956 -20.459 1.00 0.00 N ATOM 543 CA HIS A 34 10.427 19.868 -20.141 1.00 0.00 C ATOM 544 C HIS A 34 9.351 19.718 -21.212 1.00 0.00 C ATOM 545 O HIS A 34 9.154 20.607 -22.040 1.00 0.00 O ATOM 546 CB HIS A 34 9.769 20.109 -18.779 1.00 0.00 C ATOM 547 CG HIS A 34 10.626 19.712 -17.616 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.524 20.567 -17.012 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.714 18.542 -16.940 1.00 0.00 C ATOM 550 CE1 HIS A 34 12.125 19.939 -16.017 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.650 18.710 -15.953 1.00 0.00 N ATOM 0 H HIS A 34 12.307 20.664 -20.614 1.00 0.00 H new ATOM 0 HA HIS A 34 11.007 18.946 -20.105 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.517 21.166 -18.689 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.832 19.553 -18.735 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.151 17.643 -17.141 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.877 20.360 -15.367 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.933 18.000 -15.278 1.00 0.00 H new ATOM 560 N THR A 35 8.657 18.588 -21.181 1.00 0.00 N ATOM 561 CA THR A 35 7.591 18.309 -22.136 1.00 0.00 C ATOM 562 C THR A 35 6.387 17.707 -21.420 1.00 0.00 C ATOM 563 O THR A 35 6.361 17.635 -20.191 1.00 0.00 O ATOM 564 CB THR A 35 8.082 17.358 -23.227 1.00 0.00 C ATOM 565 OG1 THR A 35 9.482 17.475 -23.402 1.00 0.00 O ATOM 566 CG2 THR A 35 7.429 17.597 -24.572 1.00 0.00 C ATOM 0 H THR A 35 8.814 17.845 -20.500 1.00 0.00 H new ATOM 0 HA THR A 35 7.292 19.248 -22.603 1.00 0.00 H new ATOM 0 HB THR A 35 7.809 16.361 -22.882 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.713 17.272 -24.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.824 16.888 -25.299 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.351 17.463 -24.482 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.642 18.613 -24.904 1.00 0.00 H new ATOM 574 N PHE A 36 5.391 17.279 -22.186 1.00 0.00 N ATOM 575 CA PHE A 36 4.194 16.691 -21.603 1.00 0.00 C ATOM 576 C PHE A 36 3.437 15.843 -22.620 1.00 0.00 C ATOM 577 O PHE A 36 2.864 16.365 -23.577 1.00 0.00 O ATOM 578 CB PHE A 36 3.277 17.790 -21.062 1.00 0.00 C ATOM 579 CG PHE A 36 3.874 18.573 -19.927 1.00 0.00 C ATOM 580 CD1 PHE A 36 3.859 18.069 -18.635 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.447 19.814 -20.150 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.404 18.789 -17.589 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.995 20.539 -19.109 1.00 0.00 C ATOM 584 CZ PHE A 36 4.973 20.026 -17.825 1.00 0.00 C ATOM 0 H PHE A 36 5.389 17.328 -23.205 1.00 0.00 H new ATOM 0 HA PHE A 36 4.507 16.042 -20.785 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.029 18.475 -21.873 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.342 17.339 -20.728 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.416 17.103 -18.444 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.466 20.220 -21.150 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.385 18.385 -16.588 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.440 21.505 -19.298 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.399 20.591 -17.009 1.00 0.00 H new ATOM 594 N GLU A 37 3.427 14.534 -22.395 1.00 0.00 N ATOM 595 CA GLU A 37 2.725 13.611 -23.280 1.00 0.00 C ATOM 596 C GLU A 37 1.318 13.356 -22.753 1.00 0.00 C ATOM 597 O GLU A 37 1.121 12.549 -21.843 1.00 0.00 O ATOM 598 CB GLU A 37 3.495 12.295 -23.400 1.00 0.00 C ATOM 599 CG GLU A 37 3.868 11.938 -24.830 1.00 0.00 C ATOM 600 CD GLU A 37 5.214 11.249 -24.926 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.641 10.637 -23.923 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.843 11.320 -26.003 1.00 0.00 O ATOM 0 H GLU A 37 3.897 14.088 -21.607 1.00 0.00 H new ATOM 0 HA GLU A 37 2.655 14.059 -24.271 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.404 12.359 -22.801 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.892 11.491 -22.979 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.100 11.288 -25.250 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.884 12.845 -25.435 1.00 0.00 H new ATOM 609 N ILE A 38 0.348 14.065 -23.316 1.00 0.00 N ATOM 610 CA ILE A 38 -1.040 13.936 -22.892 1.00 0.00 C ATOM 611 C ILE A 38 -1.741 12.803 -23.638 1.00 0.00 C ATOM 612 O ILE A 38 -1.588 12.650 -24.848 1.00 0.00 O ATOM 613 CB ILE A 38 -1.814 15.265 -23.097 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.293 16.340 -22.136 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.314 15.069 -22.898 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.200 16.578 -22.227 1.00 0.00 C ATOM 0 H ILE A 38 0.498 14.737 -24.069 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.034 13.699 -21.828 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.647 15.593 -24.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.813 17.276 -22.339 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.543 16.052 -21.115 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.828 16.018 -23.048 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.684 14.338 -23.617 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.503 14.710 -21.886 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.489 17.352 -21.516 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.730 15.655 -21.994 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.456 16.899 -23.237 1.00 0.00 H new ATOM 628 N GLN A 39 -2.517 12.021 -22.897 1.00 0.00 N ATOM 629 CA GLN A 39 -3.261 10.903 -23.465 1.00 0.00 C ATOM 630 C GLN A 39 -4.620 10.787 -22.787 1.00 0.00 C ATOM 631 O GLN A 39 -4.698 10.522 -21.589 1.00 0.00 O ATOM 632 CB GLN A 39 -2.478 9.599 -23.296 1.00 0.00 C ATOM 633 CG GLN A 39 -3.010 8.457 -24.147 1.00 0.00 C ATOM 634 CD GLN A 39 -2.218 7.176 -23.970 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.685 6.226 -23.341 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.011 7.143 -24.524 1.00 0.00 N ATOM 0 H GLN A 39 -2.648 12.142 -21.893 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.407 11.085 -24.530 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.433 9.776 -23.552 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.503 9.303 -22.247 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.053 8.273 -23.889 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.988 8.751 -25.196 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.663 7.953 -25.037 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.432 6.308 -24.437 1.00 0.00 H new ATOM 645 N TYR A 40 -5.686 10.997 -23.551 1.00 0.00 N ATOM 646 CA TYR A 40 -7.037 10.925 -23.005 1.00 0.00 C ATOM 647 C TYR A 40 -7.873 9.863 -23.709 1.00 0.00 C ATOM 648 O TYR A 40 -8.247 10.021 -24.872 1.00 0.00 O ATOM 649 CB TYR A 40 -7.730 12.287 -23.112 1.00 0.00 C ATOM 650 CG TYR A 40 -7.407 13.038 -24.383 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.140 13.565 -24.600 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.371 13.223 -25.366 1.00 0.00 C ATOM 653 CE1 TYR A 40 -5.842 14.254 -25.759 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.081 13.911 -26.529 1.00 0.00 C ATOM 655 CZ TYR A 40 -6.816 14.424 -26.721 1.00 0.00 C ATOM 656 OH TYR A 40 -6.524 15.111 -27.876 1.00 0.00 O ATOM 0 H TYR A 40 -5.642 11.218 -24.546 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.950 10.645 -21.955 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.808 12.141 -23.051 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.443 12.899 -22.257 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.375 13.434 -23.849 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.363 12.823 -25.219 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.852 14.658 -25.911 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.842 14.046 -27.284 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.575 14.996 -28.094 1.00 0.00 H new ATOM 666 N ARG A 41 -8.177 8.788 -22.989 1.00 0.00 N ATOM 667 CA ARG A 41 -8.986 7.706 -23.532 1.00 0.00 C ATOM 668 C ARG A 41 -10.417 7.830 -23.030 1.00 0.00 C ATOM 669 O ARG A 41 -10.789 8.852 -22.453 1.00 0.00 O ATOM 670 CB ARG A 41 -8.395 6.341 -23.149 1.00 0.00 C ATOM 671 CG ARG A 41 -8.636 5.928 -21.704 1.00 0.00 C ATOM 672 CD ARG A 41 -8.990 4.454 -21.607 1.00 0.00 C ATOM 673 NE ARG A 41 -9.972 4.192 -20.559 1.00 0.00 N ATOM 674 CZ ARG A 41 -10.210 2.985 -20.060 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.541 1.933 -20.514 1.00 0.00 N ATOM 676 NH2 ARG A 41 -11.118 2.827 -19.107 1.00 0.00 N ATOM 0 H ARG A 41 -7.874 8.644 -22.026 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.986 7.779 -24.620 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.817 5.580 -23.806 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.321 6.361 -23.333 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.744 6.130 -21.111 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.442 6.527 -21.281 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.383 4.112 -22.565 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.087 3.877 -21.409 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.505 4.980 -20.190 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.842 2.051 -21.248 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.725 1.007 -20.129 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.635 3.633 -18.756 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.300 1.899 -18.725 1.00 0.00 H new ATOM 690 N LYS A 42 -11.220 6.799 -23.244 1.00 0.00 N ATOM 691 CA LYS A 42 -12.605 6.831 -22.797 1.00 0.00 C ATOM 692 C LYS A 42 -13.058 5.471 -22.289 1.00 0.00 C ATOM 693 O LYS A 42 -12.636 4.432 -22.796 1.00 0.00 O ATOM 694 CB LYS A 42 -13.521 7.297 -23.926 1.00 0.00 C ATOM 695 CG LYS A 42 -12.909 8.385 -24.783 1.00 0.00 C ATOM 696 CD LYS A 42 -12.187 7.803 -25.982 1.00 0.00 C ATOM 697 CE LYS A 42 -11.927 8.866 -27.029 1.00 0.00 C ATOM 698 NZ LYS A 42 -11.443 8.281 -28.310 1.00 0.00 N ATOM 0 H LYS A 42 -10.942 5.940 -23.718 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.667 7.539 -21.971 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.771 6.444 -24.557 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.455 7.662 -23.499 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.690 9.066 -25.122 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.211 8.972 -24.186 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.242 7.363 -25.663 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.783 7.000 -26.415 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.843 9.428 -27.210 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.189 9.573 -26.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.277 9.042 -28.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.555 7.766 -28.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.158 7.625 -28.684 1.00 0.00 H new ATOM 712 N ASP A 43 -13.929 5.492 -21.289 1.00 0.00 N ATOM 713 CA ASP A 43 -14.460 4.269 -20.706 1.00 0.00 C ATOM 714 C ASP A 43 -15.126 3.402 -21.775 1.00 0.00 C ATOM 715 O ASP A 43 -15.313 2.202 -21.585 1.00 0.00 O ATOM 716 CB ASP A 43 -15.457 4.613 -19.594 1.00 0.00 C ATOM 717 CG ASP A 43 -16.255 3.413 -19.118 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.712 2.619 -18.320 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.421 3.267 -19.541 1.00 0.00 O ATOM 0 H ASP A 43 -14.284 6.348 -20.863 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.635 3.699 -20.278 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.917 5.041 -18.749 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.144 5.379 -19.954 1.00 0.00 H new ATOM 724 N THR A 44 -15.485 4.018 -22.900 1.00 0.00 N ATOM 725 CA THR A 44 -16.128 3.297 -23.988 1.00 0.00 C ATOM 726 C THR A 44 -15.088 2.694 -24.928 1.00 0.00 C ATOM 727 O THR A 44 -15.237 1.564 -25.392 1.00 0.00 O ATOM 728 CB THR A 44 -17.056 4.231 -24.763 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.792 3.514 -25.738 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.322 5.350 -25.472 1.00 0.00 C ATOM 0 H THR A 44 -15.340 5.012 -23.078 1.00 0.00 H new ATOM 0 HA THR A 44 -16.716 2.485 -23.560 1.00 0.00 H new ATOM 0 HB THR A 44 -17.716 4.668 -24.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.381 4.130 -26.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.039 5.976 -26.003 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.785 5.954 -24.740 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.613 4.927 -26.184 1.00 0.00 H new ATOM 738 N ALA A 45 -14.037 3.457 -25.202 1.00 0.00 N ATOM 739 CA ALA A 45 -12.970 3.001 -26.084 1.00 0.00 C ATOM 740 C ALA A 45 -11.793 2.456 -25.284 1.00 0.00 C ATOM 741 O ALA A 45 -11.924 2.150 -24.099 1.00 0.00 O ATOM 742 CB ALA A 45 -12.516 4.136 -26.989 1.00 0.00 C ATOM 0 H ALA A 45 -13.901 4.395 -24.826 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.361 2.192 -26.701 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.719 3.783 -27.643 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.356 4.478 -27.593 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.147 4.961 -26.380 1.00 0.00 H new ATOM 748 N THR A 46 -10.644 2.339 -25.939 1.00 0.00 N ATOM 749 CA THR A 46 -9.442 1.835 -25.287 1.00 0.00 C ATOM 750 C THR A 46 -8.333 2.879 -25.317 1.00 0.00 C ATOM 751 O THR A 46 -8.349 3.792 -26.142 1.00 0.00 O ATOM 752 CB THR A 46 -8.965 0.549 -25.964 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.813 0.744 -27.359 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.906 -0.620 -25.764 1.00 0.00 C ATOM 0 H THR A 46 -10.520 2.586 -26.921 1.00 0.00 H new ATOM 0 HA THR A 46 -9.688 1.617 -24.248 1.00 0.00 H new ATOM 0 HB THR A 46 -8.012 0.311 -25.491 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.506 -0.089 -27.774 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.507 -1.499 -26.270 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.006 -0.829 -24.699 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.884 -0.375 -26.179 1.00 0.00 H new ATOM 762 N TRP A 47 -7.371 2.738 -24.412 1.00 0.00 N ATOM 763 CA TRP A 47 -6.253 3.669 -24.337 1.00 0.00 C ATOM 764 C TRP A 47 -5.574 3.807 -25.697 1.00 0.00 C ATOM 765 O TRP A 47 -5.063 4.872 -26.043 1.00 0.00 O ATOM 766 CB TRP A 47 -5.242 3.195 -23.292 1.00 0.00 C ATOM 767 CG TRP A 47 -5.626 3.557 -21.890 1.00 0.00 C ATOM 768 CD1 TRP A 47 -6.030 2.705 -20.904 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.646 4.870 -21.320 1.00 0.00 C ATOM 770 NE1 TRP A 47 -6.301 3.407 -19.755 1.00 0.00 N ATOM 771 CE2 TRP A 47 -6.072 4.739 -19.984 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.344 6.143 -21.809 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -6.204 5.833 -19.134 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.475 7.229 -20.963 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.900 7.068 -19.639 1.00 0.00 C ATOM 0 H TRP A 47 -7.343 1.988 -23.721 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.638 4.645 -24.042 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.135 2.113 -23.364 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.267 3.627 -23.517 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.123 1.634 -21.011 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.621 3.003 -18.875 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.014 6.277 -22.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.534 5.712 -18.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.245 8.218 -21.330 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.990 7.936 -19.003 1.00 0.00 H new ATOM 786 N LYS A 48 -5.578 2.722 -26.466 1.00 0.00 N ATOM 787 CA LYS A 48 -4.967 2.717 -27.790 1.00 0.00 C ATOM 788 C LYS A 48 -5.678 3.693 -28.723 1.00 0.00 C ATOM 789 O LYS A 48 -5.058 4.288 -29.604 1.00 0.00 O ATOM 790 CB LYS A 48 -5.003 1.308 -28.383 1.00 0.00 C ATOM 791 CG LYS A 48 -4.680 0.217 -27.375 1.00 0.00 C ATOM 792 CD LYS A 48 -4.394 -1.109 -28.060 1.00 0.00 C ATOM 793 CE LYS A 48 -4.141 -2.218 -27.051 1.00 0.00 C ATOM 794 NZ LYS A 48 -5.197 -2.267 -26.002 1.00 0.00 N ATOM 0 H LYS A 48 -5.999 1.834 -26.194 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.930 3.035 -27.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.993 1.124 -28.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.293 1.251 -29.208 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.816 0.514 -26.780 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.516 0.098 -26.686 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.237 -1.380 -28.695 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.526 -1.003 -28.710 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.099 -3.176 -27.568 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.169 -2.066 -26.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.138 -3.171 -25.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.059 -1.482 -25.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.133 -2.182 -26.447 1.00 0.00 H new ATOM 808 N ASP A 49 -6.981 3.853 -28.521 1.00 0.00 N ATOM 809 CA ASP A 49 -7.778 4.762 -29.341 1.00 0.00 C ATOM 810 C ASP A 49 -7.624 6.202 -28.862 1.00 0.00 C ATOM 811 O ASP A 49 -7.862 7.148 -29.615 1.00 0.00 O ATOM 812 CB ASP A 49 -9.253 4.360 -29.300 1.00 0.00 C ATOM 813 CG ASP A 49 -9.886 4.327 -30.678 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.148 4.473 -31.675 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.120 4.156 -30.760 1.00 0.00 O ATOM 0 H ASP A 49 -7.509 3.366 -27.797 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.416 4.695 -30.367 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.345 3.377 -28.838 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.800 5.061 -28.670 1.00 0.00 H new ATOM 820 N SER A 50 -7.227 6.361 -27.604 1.00 0.00 N ATOM 821 CA SER A 50 -7.042 7.679 -27.011 1.00 0.00 C ATOM 822 C SER A 50 -6.234 8.597 -27.925 1.00 0.00 C ATOM 823 O SER A 50 -5.503 8.133 -28.800 1.00 0.00 O ATOM 824 CB SER A 50 -6.339 7.547 -25.661 1.00 0.00 C ATOM 825 OG SER A 50 -4.949 7.323 -25.827 1.00 0.00 O ATOM 0 H SER A 50 -7.026 5.586 -26.972 1.00 0.00 H new ATOM 0 HA SER A 50 -8.027 8.124 -26.872 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.497 8.453 -25.076 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.778 6.723 -25.098 1.00 0.00 H new ATOM 0 HG SER A 50 -4.807 6.453 -26.256 1.00 0.00 H new ATOM 831 N LYS A 51 -6.367 9.902 -27.704 1.00 0.00 N ATOM 832 CA LYS A 51 -5.645 10.892 -28.495 1.00 0.00 C ATOM 833 C LYS A 51 -4.407 11.372 -27.744 1.00 0.00 C ATOM 834 O LYS A 51 -4.447 11.580 -26.531 1.00 0.00 O ATOM 835 CB LYS A 51 -6.554 12.079 -28.825 1.00 0.00 C ATOM 836 CG LYS A 51 -7.174 11.999 -30.212 1.00 0.00 C ATOM 837 CD LYS A 51 -6.814 13.212 -31.056 1.00 0.00 C ATOM 838 CE LYS A 51 -7.482 13.160 -32.421 1.00 0.00 C ATOM 839 NZ LYS A 51 -8.716 13.991 -32.469 1.00 0.00 N ATOM 0 H LYS A 51 -6.969 10.298 -26.982 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.329 10.424 -29.427 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.350 12.135 -28.082 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.978 13.001 -28.745 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.833 11.093 -30.712 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.258 11.925 -30.123 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.117 14.121 -30.536 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.732 13.261 -31.181 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.782 13.506 -33.181 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.731 12.127 -32.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.046 14.066 -33.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.456 13.548 -31.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.509 14.941 -32.100 1.00 0.00 H new ATOM 853 N THR A 52 -3.306 11.535 -28.468 1.00 0.00 N ATOM 854 CA THR A 52 -2.056 11.976 -27.861 1.00 0.00 C ATOM 855 C THR A 52 -1.779 13.448 -28.150 1.00 0.00 C ATOM 856 O THR A 52 -1.522 13.830 -29.292 1.00 0.00 O ATOM 857 CB THR A 52 -0.893 11.123 -28.368 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.123 9.751 -28.099 1.00 0.00 O ATOM 859 CG2 THR A 52 0.438 11.495 -27.751 1.00 0.00 C ATOM 0 H THR A 52 -3.253 11.369 -29.473 1.00 0.00 H new ATOM 0 HA THR A 52 -2.154 11.856 -26.782 1.00 0.00 H new ATOM 0 HB THR A 52 -0.843 11.313 -29.440 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.369 9.221 -28.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.219 10.851 -28.155 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.669 12.535 -27.983 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.386 11.368 -26.670 1.00 0.00 H new ATOM 867 N GLU A 53 -1.815 14.267 -27.103 1.00 0.00 N ATOM 868 CA GLU A 53 -1.550 15.693 -27.239 1.00 0.00 C ATOM 869 C GLU A 53 -0.105 15.996 -26.861 1.00 0.00 C ATOM 870 O GLU A 53 0.426 15.431 -25.906 1.00 0.00 O ATOM 871 CB GLU A 53 -2.502 16.508 -26.359 1.00 0.00 C ATOM 872 CG GLU A 53 -3.627 17.174 -27.134 1.00 0.00 C ATOM 873 CD GLU A 53 -3.333 18.626 -27.457 1.00 0.00 C ATOM 874 OE1 GLU A 53 -2.485 18.879 -28.339 1.00 0.00 O ATOM 875 OE2 GLU A 53 -3.949 19.511 -26.826 1.00 0.00 O ATOM 0 H GLU A 53 -2.025 13.966 -26.151 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.714 15.974 -28.279 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.932 15.854 -25.601 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.932 17.274 -25.833 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.798 16.627 -28.061 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.548 17.114 -26.554 1.00 0.00 H new ATOM 882 N THR A 54 0.532 16.879 -27.620 1.00 0.00 N ATOM 883 CA THR A 54 1.918 17.238 -27.360 1.00 0.00 C ATOM 884 C THR A 54 2.024 18.635 -26.759 1.00 0.00 C ATOM 885 O THR A 54 1.636 19.623 -27.382 1.00 0.00 O ATOM 886 CB THR A 54 2.733 17.155 -28.648 1.00 0.00 C ATOM 887 OG1 THR A 54 1.886 17.218 -29.781 1.00 0.00 O ATOM 888 CG2 THR A 54 3.550 15.885 -28.756 1.00 0.00 C ATOM 0 H THR A 54 0.112 17.357 -28.417 1.00 0.00 H new ATOM 0 HA THR A 54 2.320 16.529 -26.636 1.00 0.00 H new ATOM 0 HB THR A 54 3.414 18.006 -28.616 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.426 17.165 -30.597 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.106 15.888 -29.694 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.248 15.829 -27.921 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.885 15.022 -28.731 1.00 0.00 H new ATOM 896 N LEU A 55 2.561 18.705 -25.546 1.00 0.00 N ATOM 897 CA LEU A 55 2.733 19.976 -24.852 1.00 0.00 C ATOM 898 C LEU A 55 4.159 20.091 -24.318 1.00 0.00 C ATOM 899 O LEU A 55 4.600 19.264 -23.520 1.00 0.00 O ATOM 900 CB LEU A 55 1.714 20.098 -23.713 1.00 0.00 C ATOM 901 CG LEU A 55 0.289 20.446 -24.153 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.717 19.533 -23.478 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.027 21.900 -23.841 1.00 0.00 C ATOM 0 H LEU A 55 2.886 17.893 -25.021 1.00 0.00 H new ATOM 0 HA LEU A 55 2.561 20.792 -25.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.689 19.156 -23.166 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.060 20.862 -23.017 1.00 0.00 H new ATOM 0 HG LEU A 55 0.221 20.300 -25.231 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.723 19.796 -23.804 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.507 18.498 -23.748 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.644 19.648 -22.397 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.044 22.128 -24.161 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.062 22.070 -22.768 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.673 22.546 -24.370 1.00 0.00 H new ATOM 915 N GLN A 56 4.883 21.106 -24.778 1.00 0.00 N ATOM 916 CA GLN A 56 6.270 21.311 -24.363 1.00 0.00 C ATOM 917 C GLN A 56 6.364 21.992 -23.002 1.00 0.00 C ATOM 918 O GLN A 56 6.763 21.373 -22.016 1.00 0.00 O ATOM 919 CB GLN A 56 7.020 22.136 -25.412 1.00 0.00 C ATOM 920 CG GLN A 56 8.501 21.802 -25.504 1.00 0.00 C ATOM 921 CD GLN A 56 8.830 20.922 -26.695 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.940 20.335 -27.311 1.00 0.00 O ATOM 923 NE2 GLN A 56 10.112 20.825 -27.023 1.00 0.00 N ATOM 0 H GLN A 56 4.534 21.801 -25.438 1.00 0.00 H new ATOM 0 HA GLN A 56 6.732 20.328 -24.274 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.559 21.975 -26.386 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.909 23.195 -25.177 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.074 22.727 -25.571 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.813 21.299 -24.589 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.816 21.329 -26.484 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.394 20.246 -27.814 1.00 0.00 H new ATOM 932 N ASN A 57 6.009 23.268 -22.960 1.00 0.00 N ATOM 933 CA ASN A 57 6.068 24.035 -21.722 1.00 0.00 C ATOM 934 C ASN A 57 4.692 24.566 -21.336 1.00 0.00 C ATOM 935 O ASN A 57 4.492 25.774 -21.211 1.00 0.00 O ATOM 936 CB ASN A 57 7.052 25.197 -21.865 1.00 0.00 C ATOM 937 CG ASN A 57 7.832 25.454 -20.592 1.00 0.00 C ATOM 938 OD1 ASN A 57 7.265 25.839 -19.569 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.142 25.242 -20.649 1.00 0.00 N ATOM 0 H ASN A 57 5.677 23.795 -23.768 1.00 0.00 H new ATOM 0 HA ASN A 57 6.411 23.368 -20.931 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.747 24.983 -22.677 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.507 26.099 -22.142 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.720 25.398 -19.823 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.570 24.923 -21.518 1.00 0.00 H new ATOM 946 N ALA A 58 3.749 23.653 -21.141 1.00 0.00 N ATOM 947 CA ALA A 58 2.394 24.024 -20.759 1.00 0.00 C ATOM 948 C ALA A 58 1.927 23.199 -19.569 1.00 0.00 C ATOM 949 O ALA A 58 2.427 22.099 -19.334 1.00 0.00 O ATOM 950 CB ALA A 58 1.445 23.847 -21.932 1.00 0.00 C ATOM 0 H ALA A 58 3.899 22.649 -21.241 1.00 0.00 H new ATOM 0 HA ALA A 58 2.395 25.075 -20.469 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.436 24.129 -21.630 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.766 24.481 -22.759 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.451 22.805 -22.250 1.00 0.00 H new ATOM 956 N HIS A 59 0.973 23.732 -18.817 1.00 0.00 N ATOM 957 CA HIS A 59 0.457 23.032 -17.650 1.00 0.00 C ATOM 958 C HIS A 59 -0.994 22.590 -17.841 1.00 0.00 C ATOM 959 O HIS A 59 -1.599 22.028 -16.928 1.00 0.00 O ATOM 960 CB HIS A 59 0.581 23.914 -16.409 1.00 0.00 C ATOM 961 CG HIS A 59 1.924 23.819 -15.758 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.472 24.833 -15.002 1.00 0.00 N ATOM 963 CD2 HIS A 59 2.837 22.818 -15.760 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.663 24.460 -14.568 1.00 0.00 C ATOM 965 NE2 HIS A 59 3.907 23.242 -15.014 1.00 0.00 N ATOM 0 H HIS A 59 0.544 24.640 -18.993 1.00 0.00 H new ATOM 0 HA HIS A 59 1.057 22.132 -17.516 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.390 24.951 -16.686 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.187 23.630 -15.689 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.740 21.864 -16.257 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.325 25.052 -13.953 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.754 22.703 -14.833 1.00 0.00 H new ATOM 974 N SER A 60 -1.549 22.834 -19.029 1.00 0.00 N ATOM 975 CA SER A 60 -2.924 22.445 -19.318 1.00 0.00 C ATOM 976 C SER A 60 -3.219 22.529 -20.811 1.00 0.00 C ATOM 977 O SER A 60 -2.505 23.193 -21.562 1.00 0.00 O ATOM 978 CB SER A 60 -3.906 23.332 -18.553 1.00 0.00 C ATOM 979 OG SER A 60 -3.551 23.433 -17.185 1.00 0.00 O ATOM 0 H SER A 60 -1.068 23.297 -19.801 1.00 0.00 H new ATOM 0 HA SER A 60 -3.047 21.411 -18.996 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.926 24.326 -19.000 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.913 22.923 -18.640 1.00 0.00 H new ATOM 0 HG SER A 60 -2.989 22.670 -16.936 1.00 0.00 H new ATOM 985 N MET A 61 -4.287 21.859 -21.230 1.00 0.00 N ATOM 986 CA MET A 61 -4.692 21.862 -22.629 1.00 0.00 C ATOM 987 C MET A 61 -6.180 22.174 -22.748 1.00 0.00 C ATOM 988 O MET A 61 -6.782 22.728 -21.828 1.00 0.00 O ATOM 989 CB MET A 61 -4.383 20.512 -23.280 1.00 0.00 C ATOM 990 CG MET A 61 -5.307 19.393 -22.832 1.00 0.00 C ATOM 991 SD MET A 61 -5.087 17.884 -23.793 1.00 0.00 S ATOM 992 CE MET A 61 -6.332 18.106 -25.061 1.00 0.00 C ATOM 0 H MET A 61 -4.888 21.306 -20.619 1.00 0.00 H new ATOM 0 HA MET A 61 -4.128 22.636 -23.149 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.452 20.616 -24.363 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.354 20.235 -23.051 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.127 19.178 -21.779 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.342 19.726 -22.917 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.623 17.134 -25.459 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.205 18.599 -24.632 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.927 18.721 -25.865 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.771 21.811 -23.879 1.00 0.00 N ATOM 1003 CA ALA A 62 -8.188 22.051 -24.104 1.00 0.00 C ATOM 1004 C ALA A 62 -8.830 20.882 -24.838 1.00 0.00 C ATOM 1005 O ALA A 62 -9.100 20.967 -26.036 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.386 23.343 -24.883 1.00 0.00 C ATOM 0 H ALA A 62 -6.291 21.350 -24.652 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.676 22.148 -23.134 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.451 23.511 -25.045 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.969 24.176 -24.318 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.880 23.269 -25.846 1.00 0.00 H new ATOM 1012 N LEU A 63 -9.074 19.789 -24.109 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.689 18.587 -24.682 1.00 0.00 C ATOM 1014 C LEU A 63 -10.789 18.948 -25.681 1.00 0.00 C ATOM 1015 O LEU A 63 -11.920 19.241 -25.294 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.269 17.709 -23.573 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.268 17.256 -22.510 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.989 16.917 -21.215 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.467 16.062 -23.006 1.00 0.00 C ATOM 0 H LEU A 63 -8.854 19.712 -23.116 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.912 18.036 -25.212 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.073 18.256 -23.082 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.716 16.825 -24.028 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.575 18.075 -22.315 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.263 16.596 -20.468 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.518 17.798 -20.852 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.703 16.114 -21.396 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.760 15.753 -22.236 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.144 15.237 -23.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.923 16.339 -23.909 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.459 18.952 -26.983 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.401 19.297 -28.040 1.00 0.00 C ATOM 1033 C PRO A 64 -12.162 18.094 -28.591 1.00 0.00 C ATOM 1034 O PRO A 64 -13.385 18.134 -28.730 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.481 19.881 -29.107 1.00 0.00 C ATOM 1036 CG PRO A 64 -9.198 19.124 -28.961 1.00 0.00 C ATOM 1037 CD PRO A 64 -9.128 18.638 -27.531 1.00 0.00 C ATOM 0 HA PRO A 64 -12.186 19.968 -27.690 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.903 19.756 -30.104 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.329 20.950 -28.957 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.165 18.284 -29.655 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.346 19.763 -29.193 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.918 17.570 -27.482 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.338 19.144 -26.976 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.435 17.033 -28.923 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.045 15.833 -29.481 1.00 0.00 C ATOM 1047 C ALA A 65 -12.521 14.871 -28.397 1.00 0.00 C ATOM 1048 O ALA A 65 -11.915 13.823 -28.177 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.066 15.135 -30.412 1.00 0.00 C ATOM 0 H ALA A 65 -10.422 16.980 -28.815 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.924 16.145 -30.045 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.531 14.239 -30.824 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.793 15.809 -31.224 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.171 14.856 -29.856 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.623 15.219 -27.740 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.192 14.367 -26.701 1.00 0.00 C ATOM 1057 C LEU A 66 -15.606 13.943 -27.088 1.00 0.00 C ATOM 1058 O LEU A 66 -16.020 14.119 -28.233 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.204 15.079 -25.343 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.868 15.695 -24.901 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.859 15.910 -23.394 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.696 14.817 -25.318 1.00 0.00 C ATOM 0 H LEU A 66 -14.139 16.083 -27.908 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.565 13.480 -26.609 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.954 15.869 -25.374 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.523 14.366 -24.583 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.759 16.660 -25.395 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.906 16.347 -23.094 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.670 16.584 -23.118 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.994 14.953 -22.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.763 15.277 -24.992 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.796 13.834 -24.858 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.689 14.711 -26.403 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.346 13.380 -26.138 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.708 12.934 -26.407 1.00 0.00 C ATOM 1076 C GLU A 67 -18.598 13.096 -25.178 1.00 0.00 C ATOM 1077 O GLU A 67 -18.140 12.954 -24.044 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.703 11.475 -26.866 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.808 11.223 -28.069 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.018 9.851 -28.680 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.000 9.680 -29.432 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.199 8.948 -28.408 1.00 0.00 O ATOM 0 H GLU A 67 -16.028 13.223 -25.182 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.116 13.558 -27.202 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.375 10.843 -26.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.722 11.176 -27.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.999 11.985 -28.824 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.765 11.326 -27.768 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.892 13.397 -25.391 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.851 13.578 -24.303 1.00 0.00 C ATOM 1091 C PRO A 68 -21.378 12.252 -23.769 1.00 0.00 C ATOM 1092 O PRO A 68 -21.471 11.268 -24.503 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.973 14.368 -24.966 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.954 13.923 -26.387 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.520 13.584 -26.713 1.00 0.00 C ATOM 0 HA PRO A 68 -20.407 14.074 -23.440 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.935 14.160 -24.498 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.804 15.442 -24.884 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.599 13.056 -26.530 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.325 14.709 -27.044 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.451 12.681 -27.320 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -20.038 14.384 -27.275 1.00 0.00 H new ATOM 1103 N SER A 69 -21.721 12.230 -22.486 1.00 0.00 N ATOM 1104 CA SER A 69 -22.238 11.021 -21.857 1.00 0.00 C ATOM 1105 C SER A 69 -21.240 9.874 -21.987 1.00 0.00 C ATOM 1106 O SER A 69 -21.625 8.721 -22.179 1.00 0.00 O ATOM 1107 CB SER A 69 -23.575 10.624 -22.488 1.00 0.00 C ATOM 1108 OG SER A 69 -23.967 11.555 -23.482 1.00 0.00 O ATOM 0 H SER A 69 -21.651 13.034 -21.862 1.00 0.00 H new ATOM 0 HA SER A 69 -22.392 11.228 -20.798 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.492 9.630 -22.929 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.342 10.567 -21.716 1.00 0.00 H new ATOM 0 HG SER A 69 -24.823 11.278 -23.871 1.00 0.00 H new ATOM 1114 N THR A 70 -19.956 10.202 -21.882 1.00 0.00 N ATOM 1115 CA THR A 70 -18.898 9.203 -21.988 1.00 0.00 C ATOM 1116 C THR A 70 -17.799 9.470 -20.967 1.00 0.00 C ATOM 1117 O THR A 70 -17.394 10.614 -20.762 1.00 0.00 O ATOM 1118 CB THR A 70 -18.305 9.206 -23.400 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.331 9.155 -24.375 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.367 8.046 -23.661 1.00 0.00 C ATOM 0 H THR A 70 -19.623 11.153 -21.723 1.00 0.00 H new ATOM 0 HA THR A 70 -19.333 8.225 -21.785 1.00 0.00 H new ATOM 0 HB THR A 70 -17.737 10.134 -23.471 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.834 9.996 -24.364 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.984 8.110 -24.679 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.536 8.085 -22.957 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.906 7.107 -23.535 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.313 8.409 -20.331 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.254 8.542 -19.339 1.00 0.00 C ATOM 1130 C ARG A 71 -14.902 8.679 -20.026 1.00 0.00 C ATOM 1131 O ARG A 71 -14.574 7.912 -20.931 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.246 7.340 -18.394 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.575 7.696 -16.954 1.00 0.00 C ATOM 1134 CD ARG A 71 -15.671 6.962 -15.977 1.00 0.00 C ATOM 1135 NE ARG A 71 -15.903 5.520 -15.992 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.916 4.928 -15.367 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -17.793 5.652 -14.684 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -17.052 3.611 -15.427 1.00 0.00 N ATOM 0 H ARG A 71 -17.634 7.453 -20.484 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.444 9.441 -18.752 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.966 6.603 -18.751 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.264 6.869 -18.428 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.470 8.771 -16.811 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.616 7.447 -16.745 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.629 7.164 -16.226 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.838 7.345 -14.970 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.250 4.934 -16.512 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.691 6.666 -14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.569 5.195 -14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.380 3.052 -15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.829 3.156 -14.948 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.128 9.671 -19.603 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.819 9.917 -20.194 1.00 0.00 C ATOM 1154 C TYR A 72 -11.698 9.733 -19.179 1.00 0.00 C ATOM 1155 O TYR A 72 -11.673 10.385 -18.134 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.758 11.327 -20.776 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.795 11.360 -22.286 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.004 11.395 -22.968 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.621 11.355 -23.028 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.044 11.422 -24.349 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -11.651 11.383 -24.409 1.00 0.00 C ATOM 1162 CZ TYR A 72 -12.864 11.417 -25.066 1.00 0.00 C ATOM 1163 OH TYR A 72 -12.900 11.440 -26.443 1.00 0.00 O ATOM 0 H TYR A 72 -14.383 10.316 -18.855 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.678 9.186 -20.990 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.595 11.908 -20.388 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.845 11.814 -20.432 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.929 11.401 -22.410 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.670 11.329 -22.517 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -14.993 11.447 -24.865 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.729 11.378 -24.972 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.161 11.988 -26.780 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.762 8.852 -19.510 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.618 8.584 -18.652 1.00 0.00 C ATOM 1175 C TRP A 73 -8.346 9.088 -19.318 1.00 0.00 C ATOM 1176 O TRP A 73 -7.962 8.605 -20.383 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.511 7.087 -18.367 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.737 6.530 -17.719 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -12.010 6.547 -18.216 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.810 5.880 -16.448 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.867 5.949 -17.325 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -12.154 5.529 -16.234 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.866 5.559 -15.470 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.580 4.874 -15.082 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -10.288 4.909 -14.326 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.635 4.572 -14.141 1.00 0.00 C ATOM 0 H TRP A 73 -10.775 8.308 -20.373 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.753 9.107 -17.705 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.327 6.557 -19.301 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.651 6.905 -17.722 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.299 6.968 -19.168 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.872 5.836 -17.455 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.825 5.814 -15.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.618 4.614 -14.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.568 4.657 -13.562 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.933 4.063 -13.236 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.706 10.075 -18.703 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.495 10.646 -19.269 1.00 0.00 C ATOM 1199 C ALA A 74 -5.273 10.404 -18.392 1.00 0.00 C ATOM 1200 O ALA A 74 -5.368 9.831 -17.306 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.684 12.136 -19.517 1.00 0.00 C ATOM 0 H ALA A 74 -8.003 10.492 -17.821 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.312 10.141 -20.217 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.771 12.553 -19.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.509 12.287 -20.213 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.908 12.636 -18.575 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.124 10.852 -18.884 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.859 10.704 -18.177 1.00 0.00 C ATOM 1209 C ARG A 75 -1.802 11.580 -18.838 1.00 0.00 C ATOM 1210 O ARG A 75 -1.914 11.903 -20.021 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.414 9.241 -18.181 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.445 8.601 -19.560 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.593 7.343 -19.611 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.401 6.127 -19.654 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.910 5.540 -18.575 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.709 6.064 -17.372 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.621 4.427 -18.698 1.00 0.00 N ATOM 0 H ARG A 75 -4.044 11.327 -19.783 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.990 11.019 -17.142 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.402 9.176 -17.782 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.058 8.672 -17.511 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.473 8.356 -19.825 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.086 9.315 -20.301 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.948 7.379 -20.489 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.941 7.313 -18.738 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.585 5.704 -20.564 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.163 6.920 -17.273 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.101 5.611 -16.546 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.777 4.021 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.011 3.977 -17.870 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.789 11.980 -18.081 1.00 0.00 N ATOM 1232 CA VAL A 76 0.254 12.836 -18.630 1.00 0.00 C ATOM 1233 C VAL A 76 1.643 12.448 -18.144 1.00 0.00 C ATOM 1234 O VAL A 76 1.856 12.206 -16.956 1.00 0.00 O ATOM 1235 CB VAL A 76 0.009 14.313 -18.274 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.074 14.517 -16.767 1.00 0.00 C ATOM 1237 CG2 VAL A 76 1.015 15.203 -18.986 1.00 0.00 C ATOM 0 H VAL A 76 -0.667 11.730 -17.100 1.00 0.00 H new ATOM 0 HA VAL A 76 0.210 12.699 -19.711 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.990 14.591 -18.610 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.102 15.567 -16.534 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.688 13.906 -16.284 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.059 14.224 -16.402 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.829 16.245 -18.724 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.025 14.927 -18.681 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.914 15.076 -20.064 1.00 0.00 H new ATOM 1247 N ARG A 77 2.591 12.424 -19.074 1.00 0.00 N ATOM 1248 CA ARG A 77 3.977 12.107 -18.755 1.00 0.00 C ATOM 1249 C ARG A 77 4.814 13.380 -18.809 1.00 0.00 C ATOM 1250 O ARG A 77 4.790 14.103 -19.805 1.00 0.00 O ATOM 1251 CB ARG A 77 4.541 11.076 -19.735 1.00 0.00 C ATOM 1252 CG ARG A 77 3.557 9.979 -20.108 1.00 0.00 C ATOM 1253 CD ARG A 77 4.040 9.183 -21.311 1.00 0.00 C ATOM 1254 NE ARG A 77 4.426 7.822 -20.950 1.00 0.00 N ATOM 1255 CZ ARG A 77 4.919 6.942 -21.816 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.073 7.276 -23.090 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.258 5.725 -21.409 1.00 0.00 N ATOM 0 H ARG A 77 2.423 12.622 -20.060 1.00 0.00 H new ATOM 0 HA ARG A 77 4.015 11.682 -17.752 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.860 11.588 -20.643 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.429 10.621 -19.297 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.418 9.309 -19.259 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.585 10.420 -20.329 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.251 9.148 -22.063 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.890 9.692 -21.764 1.00 0.00 H new ATOM 0 HE ARG A 77 4.311 7.530 -19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.813 8.210 -23.407 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.451 6.599 -23.753 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.140 5.463 -20.430 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.636 5.051 -22.075 1.00 0.00 H new ATOM 1271 N VAL A 78 5.545 13.663 -17.736 1.00 0.00 N ATOM 1272 CA VAL A 78 6.367 14.864 -17.685 1.00 0.00 C ATOM 1273 C VAL A 78 7.810 14.568 -18.075 1.00 0.00 C ATOM 1274 O VAL A 78 8.607 14.108 -17.258 1.00 0.00 O ATOM 1275 CB VAL A 78 6.337 15.512 -16.289 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.850 14.544 -15.235 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.143 16.804 -16.281 1.00 0.00 C ATOM 0 H VAL A 78 5.585 13.083 -16.898 1.00 0.00 H new ATOM 0 HA VAL A 78 5.942 15.563 -18.405 1.00 0.00 H new ATOM 0 HB VAL A 78 5.303 15.756 -16.046 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.820 15.023 -14.256 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.222 13.653 -15.223 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.876 14.261 -15.469 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.110 17.247 -15.286 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.178 16.589 -16.548 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.719 17.502 -17.003 1.00 0.00 H new ATOM 1287 N ARG A 79 8.136 14.846 -19.332 1.00 0.00 N ATOM 1288 CA ARG A 79 9.480 14.625 -19.846 1.00 0.00 C ATOM 1289 C ARG A 79 10.399 15.772 -19.423 1.00 0.00 C ATOM 1290 O ARG A 79 9.941 16.884 -19.167 1.00 0.00 O ATOM 1291 CB ARG A 79 9.430 14.469 -21.380 1.00 0.00 C ATOM 1292 CG ARG A 79 10.657 14.980 -22.128 1.00 0.00 C ATOM 1293 CD ARG A 79 10.532 14.744 -23.626 1.00 0.00 C ATOM 1294 NE ARG A 79 11.620 15.369 -24.375 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.556 15.642 -25.674 1.00 0.00 C ATOM 1296 NH1 ARG A 79 10.459 15.355 -26.361 1.00 0.00 N ATOM 1297 NH2 ARG A 79 12.590 16.202 -26.287 1.00 0.00 N ATOM 0 H ARG A 79 7.483 15.227 -20.017 1.00 0.00 H new ATOM 0 HA ARG A 79 9.888 13.705 -19.427 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.294 13.414 -21.617 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.552 14.996 -21.754 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.785 16.045 -21.935 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.549 14.479 -21.752 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.525 13.672 -23.824 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.578 15.139 -23.976 1.00 0.00 H new ATOM 0 HE ARG A 79 12.475 15.609 -23.873 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.662 14.924 -25.893 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.412 15.565 -27.358 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.436 16.424 -25.761 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.540 16.411 -27.284 1.00 0.00 H new ATOM 1311 N THR A 80 11.694 15.489 -19.356 1.00 0.00 N ATOM 1312 CA THR A 80 12.677 16.489 -18.966 1.00 0.00 C ATOM 1313 C THR A 80 13.679 16.701 -20.086 1.00 0.00 C ATOM 1314 O THR A 80 14.842 16.313 -19.975 1.00 0.00 O ATOM 1315 CB THR A 80 13.406 16.054 -17.700 1.00 0.00 C ATOM 1316 OG1 THR A 80 12.552 15.304 -16.855 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.951 17.213 -16.892 1.00 0.00 C ATOM 0 H THR A 80 12.088 14.572 -19.568 1.00 0.00 H new ATOM 0 HA THR A 80 12.156 17.426 -18.769 1.00 0.00 H new ATOM 0 HB THR A 80 14.243 15.449 -18.048 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.092 14.774 -16.231 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.457 16.832 -16.005 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.658 17.779 -17.499 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.130 17.864 -16.590 1.00 0.00 H new ATOM 1325 N SER A 81 13.214 17.309 -21.165 1.00 0.00 N ATOM 1326 CA SER A 81 14.058 17.570 -22.320 1.00 0.00 C ATOM 1327 C SER A 81 15.179 18.542 -21.961 1.00 0.00 C ATOM 1328 O SER A 81 15.148 19.713 -22.339 1.00 0.00 O ATOM 1329 CB SER A 81 13.222 18.129 -23.472 1.00 0.00 C ATOM 1330 OG SER A 81 12.829 19.466 -23.219 1.00 0.00 O ATOM 0 H SER A 81 12.252 17.633 -21.265 1.00 0.00 H new ATOM 0 HA SER A 81 14.507 16.629 -22.636 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.797 18.085 -24.397 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.338 17.509 -23.617 1.00 0.00 H new ATOM 0 HG SER A 81 13.625 20.022 -23.091 1.00 0.00 H new ATOM 1336 N ARG A 82 16.160 18.044 -21.217 1.00 0.00 N ATOM 1337 CA ARG A 82 17.293 18.856 -20.785 1.00 0.00 C ATOM 1338 C ARG A 82 18.382 18.914 -21.854 1.00 0.00 C ATOM 1339 O ARG A 82 19.557 18.694 -21.561 1.00 0.00 O ATOM 1340 CB ARG A 82 17.878 18.288 -19.485 1.00 0.00 C ATOM 1341 CG ARG A 82 18.492 19.320 -18.533 1.00 0.00 C ATOM 1342 CD ARG A 82 18.758 20.669 -19.196 1.00 0.00 C ATOM 1343 NE ARG A 82 19.696 21.483 -18.430 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.010 21.283 -18.426 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.535 20.290 -19.132 1.00 0.00 N ATOM 1346 NH2 ARG A 82 21.799 22.075 -17.713 1.00 0.00 N ATOM 0 H ARG A 82 16.194 17.076 -20.898 1.00 0.00 H new ATOM 0 HA ARG A 82 16.930 19.870 -20.615 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.089 17.754 -18.955 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.643 17.555 -19.741 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.823 19.465 -17.685 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.428 18.927 -18.137 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.154 20.508 -20.199 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.818 21.209 -19.308 1.00 0.00 H new ATOM 0 HE ARG A 82 19.323 22.247 -17.867 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.930 19.678 -19.680 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.544 20.139 -19.127 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.398 22.838 -17.168 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.807 21.921 -17.710 1.00 0.00 H new ATOM 1360 N THR A 83 17.991 19.221 -23.087 1.00 0.00 N ATOM 1361 CA THR A 83 18.942 19.317 -24.192 1.00 0.00 C ATOM 1362 C THR A 83 19.849 18.092 -24.250 1.00 0.00 C ATOM 1363 O THR A 83 20.814 17.982 -23.492 1.00 0.00 O ATOM 1364 CB THR A 83 19.789 20.582 -24.051 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.810 20.396 -23.087 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.985 21.796 -23.640 1.00 0.00 C ATOM 0 H THR A 83 17.023 19.408 -23.347 1.00 0.00 H new ATOM 0 HA THR A 83 18.372 19.364 -25.120 1.00 0.00 H new ATOM 0 HB THR A 83 20.209 20.762 -25.041 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.697 19.524 -22.655 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.646 22.659 -23.558 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.219 21.996 -24.389 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.511 21.609 -22.677 1.00 0.00 H new ATOM 1374 N GLY A 84 19.537 17.175 -25.156 1.00 0.00 N ATOM 1375 CA GLY A 84 20.334 15.971 -25.297 1.00 0.00 C ATOM 1376 C GLY A 84 19.730 14.794 -24.562 1.00 0.00 C ATOM 1377 O GLY A 84 19.742 13.670 -25.063 1.00 0.00 O ATOM 0 H GLY A 84 18.746 17.243 -25.796 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.433 15.725 -26.354 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.339 16.157 -24.918 1.00 0.00 H new ATOM 1381 N TYR A 85 19.195 15.051 -23.371 1.00 0.00 N ATOM 1382 CA TYR A 85 18.577 14.001 -22.568 1.00 0.00 C ATOM 1383 C TYR A 85 17.582 13.199 -23.414 1.00 0.00 C ATOM 1384 O TYR A 85 16.921 13.751 -24.294 1.00 0.00 O ATOM 1385 CB TYR A 85 17.901 14.631 -21.326 1.00 0.00 C ATOM 1386 CG TYR A 85 16.470 14.192 -21.057 1.00 0.00 C ATOM 1387 CD1 TYR A 85 15.448 14.518 -21.940 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.147 13.455 -19.924 1.00 0.00 C ATOM 1389 CE1 TYR A 85 14.147 14.123 -21.706 1.00 0.00 C ATOM 1390 CE2 TYR A 85 14.846 13.054 -19.681 1.00 0.00 C ATOM 1391 CZ TYR A 85 13.850 13.391 -20.575 1.00 0.00 C ATOM 1392 OH TYR A 85 12.555 12.993 -20.337 1.00 0.00 O ATOM 0 H TYR A 85 19.177 15.976 -22.942 1.00 0.00 H new ATOM 0 HA TYR A 85 19.341 13.305 -22.222 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.504 14.396 -20.449 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.913 15.715 -21.440 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.676 15.091 -22.826 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.924 13.191 -19.222 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.366 14.385 -22.404 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.611 12.480 -18.797 1.00 0.00 H new ATOM 0 HH TYR A 85 12.517 12.486 -19.499 1.00 0.00 H new ATOM 1402 N ASN A 86 17.471 11.902 -23.132 1.00 0.00 N ATOM 1403 CA ASN A 86 16.545 11.035 -23.858 1.00 0.00 C ATOM 1404 C ASN A 86 16.759 9.569 -23.507 1.00 0.00 C ATOM 1405 O ASN A 86 17.581 9.234 -22.654 1.00 0.00 O ATOM 1406 CB ASN A 86 16.669 11.243 -25.368 1.00 0.00 C ATOM 1407 CG ASN A 86 15.409 11.845 -25.952 1.00 0.00 C ATOM 1408 OD1 ASN A 86 14.985 11.490 -27.052 1.00 0.00 O ATOM 1409 ND2 ASN A 86 14.801 12.767 -25.211 1.00 0.00 N ATOM 0 H ASN A 86 18.010 11.429 -22.407 1.00 0.00 H new ATOM 0 HA ASN A 86 15.536 11.311 -23.551 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.516 11.896 -25.578 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.875 10.288 -25.852 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.947 13.211 -25.549 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.189 13.030 -24.305 1.00 0.00 H new ATOM 1416 N GLY A 87 15.992 8.700 -24.156 1.00 0.00 N ATOM 1417 CA GLY A 87 16.089 7.280 -23.885 1.00 0.00 C ATOM 1418 C GLY A 87 15.326 6.889 -22.629 1.00 0.00 C ATOM 1419 O GLY A 87 15.391 5.743 -22.186 1.00 0.00 O ATOM 0 H GLY A 87 15.305 8.955 -24.865 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.699 6.721 -24.735 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.137 7.002 -23.774 1.00 0.00 H new ATOM 1423 N ILE A 88 14.605 7.851 -22.049 1.00 0.00 N ATOM 1424 CA ILE A 88 13.834 7.619 -20.838 1.00 0.00 C ATOM 1425 C ILE A 88 12.683 8.617 -20.733 1.00 0.00 C ATOM 1426 O ILE A 88 12.581 9.542 -21.533 1.00 0.00 O ATOM 1427 CB ILE A 88 14.722 7.748 -19.574 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.811 9.215 -19.124 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.111 7.181 -19.830 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.211 10.162 -20.237 1.00 0.00 C ATOM 0 H ILE A 88 14.543 8.804 -22.407 1.00 0.00 H new ATOM 0 HA ILE A 88 13.439 6.605 -20.896 1.00 0.00 H new ATOM 0 HB ILE A 88 14.261 7.170 -18.773 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.845 9.524 -18.724 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.533 9.295 -18.312 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.717 7.282 -18.930 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.030 6.127 -20.097 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.582 7.727 -20.647 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.255 11.180 -19.850 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.190 9.878 -20.622 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.476 10.110 -21.040 1.00 0.00 H new ATOM 1442 N TRP A 89 11.857 8.447 -19.707 1.00 0.00 N ATOM 1443 CA TRP A 89 10.743 9.351 -19.463 1.00 0.00 C ATOM 1444 C TRP A 89 10.338 9.318 -17.991 1.00 0.00 C ATOM 1445 O TRP A 89 10.954 8.620 -17.187 1.00 0.00 O ATOM 1446 CB TRP A 89 9.551 8.978 -20.335 1.00 0.00 C ATOM 1447 CG TRP A 89 9.465 9.771 -21.601 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.227 9.611 -22.720 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.563 10.847 -21.880 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.865 10.527 -23.675 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.841 11.295 -23.186 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.548 11.476 -21.155 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.142 12.343 -23.779 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.854 12.515 -21.744 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.153 12.939 -23.046 1.00 0.00 C ATOM 0 H TRP A 89 11.940 7.689 -19.030 1.00 0.00 H new ATOM 0 HA TRP A 89 11.064 10.361 -19.718 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.610 7.918 -20.583 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.634 9.121 -19.763 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.004 8.870 -22.838 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.289 10.621 -24.598 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.310 11.156 -20.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.372 12.673 -24.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.068 13.009 -21.192 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.591 13.753 -23.479 1.00 0.00 H new ATOM 1466 N SER A 90 9.302 10.077 -17.641 1.00 0.00 N ATOM 1467 CA SER A 90 8.831 10.121 -16.262 1.00 0.00 C ATOM 1468 C SER A 90 8.246 8.767 -15.846 1.00 0.00 C ATOM 1469 O SER A 90 8.992 7.854 -15.492 1.00 0.00 O ATOM 1470 CB SER A 90 7.804 11.246 -16.076 1.00 0.00 C ATOM 1471 OG SER A 90 7.038 11.445 -17.253 1.00 0.00 O ATOM 0 H SER A 90 8.777 10.665 -18.289 1.00 0.00 H new ATOM 0 HA SER A 90 9.682 10.332 -15.615 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.142 11.003 -15.245 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.318 12.171 -15.813 1.00 0.00 H new ATOM 0 HG SER A 90 6.119 11.142 -17.100 1.00 0.00 H new ATOM 1477 N GLU A 91 6.920 8.627 -15.893 1.00 0.00 N ATOM 1478 CA GLU A 91 6.280 7.367 -15.518 1.00 0.00 C ATOM 1479 C GLU A 91 4.755 7.473 -15.513 1.00 0.00 C ATOM 1480 O GLU A 91 4.087 6.795 -14.734 1.00 0.00 O ATOM 1481 CB GLU A 91 6.763 6.922 -14.141 1.00 0.00 C ATOM 1482 CG GLU A 91 7.614 5.664 -14.175 1.00 0.00 C ATOM 1483 CD GLU A 91 7.202 4.651 -13.125 1.00 0.00 C ATOM 1484 OE1 GLU A 91 6.009 4.283 -13.092 1.00 0.00 O ATOM 1485 OE2 GLU A 91 8.073 4.224 -12.338 1.00 0.00 O ATOM 0 H GLU A 91 6.275 9.362 -16.184 1.00 0.00 H new ATOM 0 HA GLU A 91 6.561 6.628 -16.268 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.339 7.729 -13.689 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.899 6.749 -13.500 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.542 5.208 -15.162 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.659 5.933 -14.024 1.00 0.00 H new ATOM 1492 N TRP A 92 4.212 8.314 -16.385 1.00 0.00 N ATOM 1493 CA TRP A 92 2.766 8.494 -16.479 1.00 0.00 C ATOM 1494 C TRP A 92 2.179 8.988 -15.158 1.00 0.00 C ATOM 1495 O TRP A 92 2.523 8.491 -14.087 1.00 0.00 O ATOM 1496 CB TRP A 92 2.098 7.180 -16.883 1.00 0.00 C ATOM 1497 CG TRP A 92 2.092 6.943 -18.362 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.647 5.885 -19.023 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.502 7.779 -19.363 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.435 6.012 -20.376 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.734 7.167 -20.609 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.797 8.987 -19.328 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.288 7.720 -21.806 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.355 9.535 -20.518 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.601 8.901 -21.742 1.00 0.00 C ATOM 0 H TRP A 92 4.751 8.883 -17.038 1.00 0.00 H new ATOM 0 HA TRP A 92 2.572 9.250 -17.240 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.613 6.354 -16.393 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.071 7.177 -16.518 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.175 5.069 -18.553 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.748 5.354 -21.090 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.602 9.482 -18.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.478 7.234 -22.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.189 10.468 -20.503 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.241 9.354 -22.654 1.00 0.00 H new ATOM 1516 N SER A 93 1.283 9.966 -15.241 1.00 0.00 N ATOM 1517 CA SER A 93 0.645 10.517 -14.050 1.00 0.00 C ATOM 1518 C SER A 93 -0.535 9.650 -13.620 1.00 0.00 C ATOM 1519 O SER A 93 -1.099 8.909 -14.424 1.00 0.00 O ATOM 1520 CB SER A 93 0.172 11.948 -14.314 1.00 0.00 C ATOM 1521 OG SER A 93 -0.955 11.964 -15.174 1.00 0.00 O ATOM 0 H SER A 93 0.983 10.393 -16.118 1.00 0.00 H new ATOM 0 HA SER A 93 1.380 10.529 -13.245 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.081 12.431 -13.370 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.982 12.525 -14.760 1.00 0.00 H new ATOM 0 HG SER A 93 -1.659 12.521 -14.781 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.904 9.750 -12.347 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.016 8.973 -11.811 1.00 0.00 C ATOM 1529 C GLU A 94 -3.256 9.114 -12.690 1.00 0.00 C ATOM 1530 O GLU A 94 -3.850 10.189 -12.777 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.335 9.424 -10.383 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.648 8.274 -9.439 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.771 8.280 -8.203 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -0.589 8.667 -8.316 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -2.266 7.897 -7.122 1.00 0.00 O ATOM 0 H GLU A 94 -0.450 10.361 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.721 7.924 -11.799 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.488 9.986 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.185 10.105 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.694 8.330 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.519 7.329 -9.967 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.642 8.021 -13.343 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.811 8.022 -14.216 1.00 0.00 C ATOM 1544 C ALA A 95 -6.024 8.615 -13.508 1.00 0.00 C ATOM 1545 O ALA A 95 -6.205 8.427 -12.305 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.114 6.608 -14.691 1.00 0.00 C ATOM 0 H ALA A 95 -3.162 7.123 -13.284 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.588 8.646 -15.082 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.988 6.622 -15.342 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.258 6.218 -15.242 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.313 5.970 -13.830 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.854 9.331 -14.261 1.00 0.00 N ATOM 1553 CA ARG A 96 -8.050 9.950 -13.701 1.00 0.00 C ATOM 1554 C ARG A 96 -9.198 9.933 -14.706 1.00 0.00 C ATOM 1555 O ARG A 96 -8.995 10.155 -15.901 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.753 11.388 -13.274 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.889 11.487 -12.028 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.727 11.403 -10.762 1.00 0.00 C ATOM 1559 NE ARG A 96 -8.184 12.717 -10.322 1.00 0.00 N ATOM 1560 CZ ARG A 96 -8.932 12.912 -9.240 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -9.304 11.881 -8.494 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -9.307 14.138 -8.904 1.00 0.00 N ATOM 0 H ARG A 96 -6.720 9.496 -15.259 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.350 9.372 -12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.255 11.906 -14.094 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.695 11.907 -13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.151 10.685 -12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.338 12.427 -12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.589 10.760 -10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.141 10.939 -9.969 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.915 13.531 -10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.016 10.936 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.878 12.032 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.022 14.933 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.881 14.286 -8.074 1.00 0.00 H new ATOM 1576 N SER A 97 -10.404 9.666 -14.214 1.00 0.00 N ATOM 1577 CA SER A 97 -11.587 9.618 -15.066 1.00 0.00 C ATOM 1578 C SER A 97 -12.536 10.769 -14.746 1.00 0.00 C ATOM 1579 O SER A 97 -12.702 11.147 -13.586 1.00 0.00 O ATOM 1580 CB SER A 97 -12.311 8.280 -14.889 1.00 0.00 C ATOM 1581 OG SER A 97 -11.475 7.329 -14.253 1.00 0.00 O ATOM 0 H SER A 97 -10.588 9.479 -13.228 1.00 0.00 H new ATOM 0 HA SER A 97 -11.264 9.716 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.215 8.427 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.624 7.901 -15.862 1.00 0.00 H new ATOM 0 HG SER A 97 -11.327 6.569 -14.854 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.161 11.322 -15.783 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.098 12.427 -15.610 1.00 0.00 C ATOM 1589 C TRP A 98 -15.310 12.255 -16.521 1.00 0.00 C ATOM 1590 O TRP A 98 -15.270 11.493 -17.486 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.407 13.768 -15.891 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.175 14.039 -17.348 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.079 14.533 -18.245 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -11.959 13.832 -18.077 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.498 14.645 -19.485 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.196 14.220 -19.404 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.692 13.357 -17.736 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.212 14.147 -20.383 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.717 13.285 -18.710 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -9.983 13.679 -20.022 1.00 0.00 C ATOM 0 H TRP A 98 -13.035 11.023 -16.750 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.441 12.423 -14.575 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.013 14.572 -15.474 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.449 13.788 -15.371 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.100 14.797 -18.014 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.959 14.988 -20.328 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.477 13.050 -16.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.415 14.452 -21.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.734 12.918 -18.453 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.202 13.612 -20.765 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.388 12.965 -16.206 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.610 12.885 -16.998 1.00 0.00 C ATOM 1613 C ASP A 99 -17.713 14.058 -17.967 1.00 0.00 C ATOM 1614 O ASP A 99 -17.368 15.190 -17.630 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.833 12.855 -16.080 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.918 14.078 -15.188 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -17.857 14.649 -14.861 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.047 14.464 -14.818 1.00 0.00 O ATOM 0 H ASP A 99 -16.441 13.601 -15.410 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.576 11.964 -17.580 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.737 12.787 -16.686 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.797 11.959 -15.460 1.00 0.00 H new ATOM 1623 N THR A 100 -18.193 13.775 -19.175 1.00 0.00 N ATOM 1624 CA THR A 100 -18.346 14.803 -20.198 1.00 0.00 C ATOM 1625 C THR A 100 -19.781 15.311 -20.252 1.00 0.00 C ATOM 1626 O THR A 100 -20.240 15.806 -21.282 1.00 0.00 O ATOM 1627 CB THR A 100 -17.944 14.252 -21.560 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.153 12.851 -21.617 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.496 14.514 -21.899 1.00 0.00 C ATOM 0 H THR A 100 -18.482 12.842 -19.469 1.00 0.00 H new ATOM 0 HA THR A 100 -17.694 15.637 -19.939 1.00 0.00 H new ATOM 0 HB THR A 100 -18.573 14.772 -22.283 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.946 12.526 -22.518 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.271 14.098 -22.881 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.314 15.589 -21.910 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.857 14.045 -21.151 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.482 15.183 -19.136 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.869 15.625 -19.043 1.00 0.00 C ATOM 1639 C GLU A 101 -22.726 14.958 -20.114 1.00 0.00 C ATOM 1640 O GLU A 101 -22.300 14.000 -20.759 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.951 17.147 -19.183 1.00 0.00 C ATOM 1642 CG GLU A 101 -22.415 17.848 -17.918 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.389 18.976 -18.201 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.122 19.773 -19.124 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -24.418 19.062 -17.498 1.00 0.00 O ATOM 0 H GLU A 101 -20.113 14.775 -18.277 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.252 15.335 -18.064 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.970 17.531 -19.463 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.634 17.393 -19.996 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -22.888 17.122 -17.257 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.549 18.245 -17.388 1.00 0.00 H new ATOM 1652 N SER A 102 -23.938 15.473 -20.299 1.00 0.00 N ATOM 1653 CA SER A 102 -24.856 14.930 -21.292 1.00 0.00 C ATOM 1654 C SER A 102 -25.898 15.969 -21.694 1.00 0.00 C ATOM 1655 O SER A 102 -25.510 17.133 -21.928 1.00 0.00 O ATOM 1656 CB SER A 102 -25.549 13.679 -20.746 1.00 0.00 C ATOM 1657 OG SER A 102 -26.429 14.005 -19.685 1.00 0.00 O ATOM 1658 OXT SER A 102 -27.092 15.612 -21.770 1.00 0.00 O ATOM 0 H SER A 102 -24.306 16.266 -19.774 1.00 0.00 H new ATOM 0 HA SER A 102 -24.279 14.660 -22.176 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.104 13.189 -21.546 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.800 12.968 -20.396 1.00 0.00 H new ATOM 0 HG SER A 102 -27.137 14.596 -20.017 1.00 0.00 H new TER 1664 SER A 102