USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 GLY N :NH3+ 128:sc= 0.0463 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 5 SER OG : rot -86:sc= 1.23 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00244 USER MOD Single : A 9 TYR OH : rot -151:sc= 0.269 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 1.13 (180deg=1.01) USER MOD Single : A 19 MET CE :methyl -118:sc= -0.0011 (180deg=-0.063) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.48) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.11 K(o=1.1,f=-0.002) USER MOD Single : A 43 LYS NZ :NH3+ 138:sc= 0.0169 (180deg=0) USER MOD Single : A 44 TYR OH : rot 166:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0967 F(o=-0.61,f=-0.097) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 166:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.314 K(o=-0.31,f=-4.4!) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00142) USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0111) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 21:sc= 0.327 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.160 8.322 -17.505 1.00 0.00 N ATOM 2 CA GLY A 1 -8.042 7.408 -17.755 1.00 0.00 C ATOM 3 C GLY A 1 -7.899 6.454 -16.586 1.00 0.00 C ATOM 4 O GLY A 1 -8.154 6.839 -15.446 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.841 9.304 -17.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.930 8.120 -18.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.504 8.192 -16.532 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.214 6.850 -18.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.120 7.973 -17.892 1.00 0.00 H new ATOM 8 N SER A 2 -7.466 5.220 -16.858 1.00 0.00 N ATOM 9 CA SER A 2 -7.231 4.170 -15.872 1.00 0.00 C ATOM 10 C SER A 2 -8.415 3.969 -14.919 1.00 0.00 C ATOM 11 O SER A 2 -8.444 4.460 -13.787 1.00 0.00 O ATOM 12 CB SER A 2 -5.905 4.425 -15.156 1.00 0.00 C ATOM 13 OG SER A 2 -4.849 4.409 -16.110 1.00 0.00 O ATOM 0 H SER A 2 -7.262 4.916 -17.810 1.00 0.00 H new ATOM 0 HA SER A 2 -7.148 3.217 -16.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.934 5.386 -14.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.736 3.663 -14.395 1.00 0.00 H new ATOM 0 HG SER A 2 -3.996 4.574 -15.657 1.00 0.00 H new ATOM 19 N SER A 3 -9.399 3.209 -15.387 1.00 0.00 N ATOM 20 CA SER A 3 -10.251 2.415 -14.517 1.00 0.00 C ATOM 21 C SER A 3 -9.440 1.218 -13.992 1.00 0.00 C ATOM 22 O SER A 3 -8.385 0.874 -14.535 1.00 0.00 O ATOM 23 CB SER A 3 -11.514 1.998 -15.284 1.00 0.00 C ATOM 24 OG SER A 3 -11.235 1.555 -16.603 1.00 0.00 O ATOM 0 H SER A 3 -9.626 3.128 -16.378 1.00 0.00 H new ATOM 0 HA SER A 3 -10.583 2.990 -13.653 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.019 1.202 -14.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.203 2.842 -15.327 1.00 0.00 H new ATOM 0 HG SER A 3 -12.071 1.300 -17.046 1.00 0.00 H new ATOM 30 N GLY A 4 -9.936 0.568 -12.944 1.00 0.00 N ATOM 31 CA GLY A 4 -9.268 -0.509 -12.231 1.00 0.00 C ATOM 32 C GLY A 4 -8.951 -0.044 -10.817 1.00 0.00 C ATOM 33 O GLY A 4 -7.781 0.142 -10.471 1.00 0.00 O ATOM 0 H GLY A 4 -10.852 0.788 -12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.904 -1.394 -12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.352 -0.792 -12.749 1.00 0.00 H new ATOM 37 N SER A 5 -9.993 0.205 -10.023 1.00 0.00 N ATOM 38 CA SER A 5 -9.886 0.306 -8.573 1.00 0.00 C ATOM 39 C SER A 5 -9.777 -1.120 -8.022 1.00 0.00 C ATOM 40 O SER A 5 -8.659 -1.597 -7.812 1.00 0.00 O ATOM 41 CB SER A 5 -11.095 1.062 -8.016 1.00 0.00 C ATOM 42 OG SER A 5 -10.923 2.466 -8.103 1.00 0.00 O ATOM 0 H SER A 5 -10.941 0.343 -10.374 1.00 0.00 H new ATOM 0 HA SER A 5 -9.003 0.870 -8.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.990 0.771 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.253 0.779 -6.975 1.00 0.00 H new ATOM 0 HG SER A 5 -10.441 2.786 -7.312 1.00 0.00 H new ATOM 48 N SER A 6 -10.912 -1.803 -7.839 1.00 0.00 N ATOM 49 CA SER A 6 -10.954 -3.222 -7.535 1.00 0.00 C ATOM 50 C SER A 6 -10.834 -4.036 -8.823 1.00 0.00 C ATOM 51 O SER A 6 -10.986 -3.501 -9.930 1.00 0.00 O ATOM 52 CB SER A 6 -12.260 -3.547 -6.787 1.00 0.00 C ATOM 53 OG SER A 6 -13.416 -3.085 -7.477 1.00 0.00 O ATOM 0 H SER A 6 -11.835 -1.373 -7.900 1.00 0.00 H new ATOM 0 HA SER A 6 -10.114 -3.487 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.334 -4.625 -6.644 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.229 -3.095 -5.796 1.00 0.00 H new ATOM 0 HG SER A 6 -14.218 -3.317 -6.963 1.00 0.00 H new ATOM 59 N GLY A 7 -10.659 -5.346 -8.673 1.00 0.00 N ATOM 60 CA GLY A 7 -10.823 -6.323 -9.731 1.00 0.00 C ATOM 61 C GLY A 7 -9.608 -7.226 -9.752 1.00 0.00 C ATOM 62 O GLY A 7 -9.648 -8.314 -9.177 1.00 0.00 O ATOM 0 H GLY A 7 -10.391 -5.764 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.727 -6.910 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.938 -5.823 -10.693 1.00 0.00 H new ATOM 66 N GLU A 8 -8.541 -6.796 -10.415 1.00 0.00 N ATOM 67 CA GLU A 8 -7.258 -7.473 -10.467 1.00 0.00 C ATOM 68 C GLU A 8 -6.192 -6.384 -10.423 1.00 0.00 C ATOM 69 O GLU A 8 -6.317 -5.352 -11.085 1.00 0.00 O ATOM 70 CB GLU A 8 -7.144 -8.325 -11.740 1.00 0.00 C ATOM 71 CG GLU A 8 -7.968 -9.615 -11.625 1.00 0.00 C ATOM 72 CD GLU A 8 -8.049 -10.399 -12.928 1.00 0.00 C ATOM 73 OE1 GLU A 8 -8.686 -9.921 -13.894 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.598 -11.566 -12.966 1.00 0.00 O ATOM 0 H GLU A 8 -8.550 -5.929 -10.953 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.137 -8.160 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.487 -7.747 -12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.098 -8.574 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.530 -10.250 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.977 -9.365 -11.297 1.00 0.00 H new ATOM 81 N TYR A 9 -5.165 -6.588 -9.607 1.00 0.00 N ATOM 82 CA TYR A 9 -4.040 -5.668 -9.496 1.00 0.00 C ATOM 83 C TYR A 9 -3.034 -6.014 -10.597 1.00 0.00 C ATOM 84 O TYR A 9 -2.986 -7.160 -11.043 1.00 0.00 O ATOM 85 CB TYR A 9 -3.438 -5.797 -8.089 1.00 0.00 C ATOM 86 CG TYR A 9 -4.443 -5.564 -6.967 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.889 -4.259 -6.681 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.984 -6.652 -6.254 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.871 -4.039 -5.695 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.970 -6.439 -5.273 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.413 -5.132 -4.981 1.00 0.00 C ATOM 92 OH TYR A 9 -7.377 -4.931 -4.037 1.00 0.00 O ATOM 0 H TYR A 9 -5.089 -7.403 -8.999 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.346 -4.630 -9.629 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.007 -6.792 -7.978 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.621 -5.083 -7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.475 -3.421 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.640 -7.655 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.210 -3.035 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.390 -7.280 -4.741 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.316 -5.630 -3.353 1.00 0.00 H new ATOM 102 N LYS A 10 -2.191 -5.075 -11.033 1.00 0.00 N ATOM 103 CA LYS A 10 -1.190 -5.327 -12.074 1.00 0.00 C ATOM 104 C LYS A 10 0.114 -4.632 -11.722 1.00 0.00 C ATOM 105 O LYS A 10 0.086 -3.676 -10.944 1.00 0.00 O ATOM 106 CB LYS A 10 -1.742 -4.876 -13.434 1.00 0.00 C ATOM 107 CG LYS A 10 -1.966 -3.353 -13.533 1.00 0.00 C ATOM 108 CD LYS A 10 -3.400 -2.987 -13.929 1.00 0.00 C ATOM 109 CE LYS A 10 -3.418 -1.549 -14.449 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.793 -1.058 -14.651 1.00 0.00 N ATOM 0 H LYS A 10 -2.182 -4.120 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.977 -6.394 -12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.051 -5.185 -14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.686 -5.387 -13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.731 -2.893 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.274 -2.936 -14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.765 -3.670 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.065 -3.086 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.900 -0.900 -13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.871 -1.496 -15.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.764 -0.080 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.279 -1.662 -15.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.307 -1.085 -13.748 1.00 0.00 H new ATOM 124 N ALA A 11 1.239 -5.115 -12.261 1.00 0.00 N ATOM 125 CA ALA A 11 2.532 -4.510 -11.975 1.00 0.00 C ATOM 126 C ALA A 11 2.484 -3.045 -12.399 1.00 0.00 C ATOM 127 O ALA A 11 1.859 -2.705 -13.412 1.00 0.00 O ATOM 128 CB ALA A 11 3.677 -5.272 -12.648 1.00 0.00 C ATOM 0 H ALA A 11 1.275 -5.916 -12.891 1.00 0.00 H new ATOM 0 HA ALA A 11 2.733 -4.565 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.625 -4.789 -12.410 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.693 -6.300 -12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.530 -5.270 -13.728 1.00 0.00 H new ATOM 134 N GLY A 12 3.120 -2.194 -11.600 1.00 0.00 N ATOM 135 CA GLY A 12 2.967 -0.758 -11.727 1.00 0.00 C ATOM 136 C GLY A 12 1.694 -0.282 -11.032 1.00 0.00 C ATOM 137 O GLY A 12 1.013 0.601 -11.555 1.00 0.00 O ATOM 0 H GLY A 12 3.751 -2.483 -10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.832 -0.256 -11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.935 -0.484 -12.781 1.00 0.00 H new ATOM 141 N ASP A 13 1.372 -0.831 -9.853 1.00 0.00 N ATOM 142 CA ASP A 13 0.461 -0.180 -8.914 1.00 0.00 C ATOM 143 C ASP A 13 0.998 -0.276 -7.494 1.00 0.00 C ATOM 144 O ASP A 13 1.975 -0.979 -7.217 1.00 0.00 O ATOM 145 CB ASP A 13 -0.979 -0.729 -8.935 1.00 0.00 C ATOM 146 CG ASP A 13 -2.005 0.407 -8.809 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.725 1.456 -8.172 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.110 0.264 -9.370 1.00 0.00 O ATOM 0 H ASP A 13 1.733 -1.729 -9.530 1.00 0.00 H new ATOM 0 HA ASP A 13 0.411 0.857 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.150 -1.276 -9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.114 -1.437 -8.117 1.00 0.00 H new ATOM 153 N LEU A 14 0.312 0.411 -6.589 1.00 0.00 N ATOM 154 CA LEU A 14 0.534 0.467 -5.161 1.00 0.00 C ATOM 155 C LEU A 14 -0.723 -0.058 -4.502 1.00 0.00 C ATOM 156 O LEU A 14 -1.825 0.130 -5.032 1.00 0.00 O ATOM 157 CB LEU A 14 0.825 1.921 -4.751 1.00 0.00 C ATOM 158 CG LEU A 14 2.057 2.490 -5.476 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.276 3.947 -5.084 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.290 1.626 -5.194 1.00 0.00 C ATOM 0 H LEU A 14 -0.480 0.991 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 14 1.389 -0.135 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.044 2.541 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.984 1.969 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 14 1.883 2.464 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.151 4.336 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.399 4.533 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.434 4.014 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.153 2.042 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.486 1.610 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.110 0.610 -5.545 1.00 0.00 H new ATOM 172 N VAL A 15 -0.564 -0.717 -3.356 1.00 0.00 N ATOM 173 CA VAL A 15 -1.647 -1.354 -2.615 1.00 0.00 C ATOM 174 C VAL A 15 -1.304 -1.326 -1.116 1.00 0.00 C ATOM 175 O VAL A 15 -0.171 -1.008 -0.745 1.00 0.00 O ATOM 176 CB VAL A 15 -1.874 -2.782 -3.169 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.318 -2.757 -4.647 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.635 -3.680 -3.014 1.00 0.00 C ATOM 0 H VAL A 15 0.345 -0.825 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.587 -0.817 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.676 -3.210 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.467 -3.778 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.252 -2.202 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.549 -2.274 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.850 -4.669 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.203 -3.241 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.379 -3.768 -1.958 1.00 0.00 H new ATOM 188 N PHE A 16 -2.247 -1.702 -0.247 1.00 0.00 N ATOM 189 CA PHE A 16 -1.938 -2.031 1.144 1.00 0.00 C ATOM 190 C PHE A 16 -2.090 -3.535 1.325 1.00 0.00 C ATOM 191 O PHE A 16 -3.158 -4.083 1.026 1.00 0.00 O ATOM 192 CB PHE A 16 -2.831 -1.267 2.128 1.00 0.00 C ATOM 193 CG PHE A 16 -2.593 0.227 2.139 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.614 0.781 2.986 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.336 1.060 1.285 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.379 2.167 2.973 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.104 2.445 1.278 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.124 2.999 2.119 1.00 0.00 C ATOM 0 H PHE A 16 -3.235 -1.786 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.914 -1.728 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.875 -1.457 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.667 -1.659 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.044 0.142 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.086 0.635 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.626 2.593 3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.679 3.085 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.943 4.064 2.109 1.00 0.00 H new ATOM 208 N ALA A 17 -1.048 -4.198 1.826 1.00 0.00 N ATOM 209 CA ALA A 17 -1.046 -5.629 2.097 1.00 0.00 C ATOM 210 C ALA A 17 -1.305 -5.901 3.578 1.00 0.00 C ATOM 211 O ALA A 17 -0.930 -5.111 4.448 1.00 0.00 O ATOM 212 CB ALA A 17 0.300 -6.218 1.683 1.00 0.00 C ATOM 0 H ALA A 17 -0.165 -3.743 2.058 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.844 -6.099 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.306 -7.289 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.460 -6.048 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.097 -5.738 2.251 1.00 0.00 H new ATOM 218 N LYS A 18 -1.895 -7.055 3.888 1.00 0.00 N ATOM 219 CA LYS A 18 -2.248 -7.462 5.239 1.00 0.00 C ATOM 220 C LYS A 18 -1.643 -8.838 5.481 1.00 0.00 C ATOM 221 O LYS A 18 -2.134 -9.829 4.939 1.00 0.00 O ATOM 222 CB LYS A 18 -3.780 -7.445 5.390 1.00 0.00 C ATOM 223 CG LYS A 18 -4.252 -7.547 6.847 1.00 0.00 C ATOM 224 CD LYS A 18 -3.906 -6.293 7.669 1.00 0.00 C ATOM 225 CE LYS A 18 -4.685 -6.228 8.988 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.311 -7.317 9.912 1.00 0.00 N ATOM 0 H LYS A 18 -2.146 -7.749 3.183 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.852 -6.778 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.170 -6.526 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.203 -8.273 4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.331 -7.703 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.795 -8.420 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.837 -6.284 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.122 -5.403 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.502 -5.267 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.754 -6.282 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.985 -7.347 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.332 -8.225 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.353 -7.147 10.279 1.00 0.00 H new ATOM 240 N MET A 19 -0.580 -8.913 6.278 1.00 0.00 N ATOM 241 CA MET A 19 -0.128 -10.150 6.892 1.00 0.00 C ATOM 242 C MET A 19 -0.931 -10.379 8.177 1.00 0.00 C ATOM 243 O MET A 19 -1.639 -9.493 8.669 1.00 0.00 O ATOM 244 CB MET A 19 1.377 -10.062 7.174 1.00 0.00 C ATOM 245 CG MET A 19 2.214 -10.135 5.900 1.00 0.00 C ATOM 246 SD MET A 19 3.988 -9.869 6.167 1.00 0.00 S ATOM 247 CE MET A 19 4.416 -11.397 7.024 1.00 0.00 C ATOM 0 H MET A 19 -0.005 -8.105 6.516 1.00 0.00 H new ATOM 0 HA MET A 19 -0.291 -10.996 6.224 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.592 -9.128 7.694 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.666 -10.873 7.842 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.069 -11.111 5.438 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.848 -9.390 5.194 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.782 -11.163 8.024 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.533 -12.031 7.100 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.192 -11.921 6.467 1.00 0.00 H new ATOM 257 N LYS A 20 -0.826 -11.585 8.733 1.00 0.00 N ATOM 258 CA LYS A 20 -1.597 -12.018 9.891 1.00 0.00 C ATOM 259 C LYS A 20 -1.182 -11.168 11.094 1.00 0.00 C ATOM 260 O LYS A 20 -0.004 -11.098 11.437 1.00 0.00 O ATOM 261 CB LYS A 20 -1.371 -13.530 10.059 1.00 0.00 C ATOM 262 CG LYS A 20 -2.439 -14.232 10.906 1.00 0.00 C ATOM 263 CD LYS A 20 -2.314 -15.753 10.730 1.00 0.00 C ATOM 264 CE LYS A 20 -3.288 -16.554 11.599 1.00 0.00 C ATOM 265 NZ LYS A 20 -2.900 -16.561 13.023 1.00 0.00 N ATOM 0 H LYS A 20 -0.189 -12.300 8.382 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.671 -11.870 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.342 -13.994 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.395 -13.692 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.319 -13.966 11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.433 -13.901 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.484 -16.004 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.294 -16.055 10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.289 -16.133 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.336 -17.580 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.590 -17.116 13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.957 -16.987 13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.879 -15.585 13.382 1.00 0.00 H new ATOM 279 N GLY A 21 -2.130 -10.439 11.680 1.00 0.00 N ATOM 280 CA GLY A 21 -1.928 -9.568 12.836 1.00 0.00 C ATOM 281 C GLY A 21 -1.172 -8.260 12.579 1.00 0.00 C ATOM 282 O GLY A 21 -1.267 -7.361 13.418 1.00 0.00 O ATOM 0 H GLY A 21 -3.095 -10.439 11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.904 -9.322 13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.388 -10.131 13.598 1.00 0.00 H new ATOM 286 N TYR A 22 -0.460 -8.116 11.460 1.00 0.00 N ATOM 287 CA TYR A 22 0.234 -6.888 11.063 1.00 0.00 C ATOM 288 C TYR A 22 -0.766 -5.775 10.742 1.00 0.00 C ATOM 289 O TYR A 22 -1.926 -6.051 10.430 1.00 0.00 O ATOM 290 CB TYR A 22 1.090 -7.184 9.821 1.00 0.00 C ATOM 291 CG TYR A 22 2.393 -7.898 10.120 1.00 0.00 C ATOM 292 CD1 TYR A 22 2.431 -9.305 10.198 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.579 -7.157 10.293 1.00 0.00 C ATOM 294 CE1 TYR A 22 3.640 -9.980 10.430 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.787 -7.827 10.532 1.00 0.00 C ATOM 296 CZ TYR A 22 4.828 -9.234 10.584 1.00 0.00 C ATOM 297 OH TYR A 22 6.016 -9.863 10.772 1.00 0.00 O ATOM 0 H TYR A 22 -0.347 -8.872 10.785 1.00 0.00 H new ATOM 0 HA TYR A 22 0.863 -6.553 11.887 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.507 -7.791 9.128 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.311 -6.245 9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.519 -9.871 10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.557 -6.078 10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.661 -11.058 10.490 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.694 -7.259 10.678 1.00 0.00 H new ATOM 0 HH TYR A 22 6.729 -9.196 10.858 1.00 0.00 H new ATOM 307 N PRO A 23 -0.317 -4.512 10.783 1.00 0.00 N ATOM 308 CA PRO A 23 -1.064 -3.375 10.269 1.00 0.00 C ATOM 309 C PRO A 23 -1.139 -3.444 8.736 1.00 0.00 C ATOM 310 O PRO A 23 -0.374 -4.176 8.107 1.00 0.00 O ATOM 311 CB PRO A 23 -0.298 -2.146 10.777 1.00 0.00 C ATOM 312 CG PRO A 23 1.136 -2.644 10.962 1.00 0.00 C ATOM 313 CD PRO A 23 0.998 -4.118 11.254 1.00 0.00 C ATOM 0 HA PRO A 23 -2.100 -3.347 10.606 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.345 -1.325 10.062 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.715 -1.777 11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.733 -2.472 10.066 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.633 -2.123 11.781 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.778 -4.688 10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.102 -4.313 12.321 1.00 0.00 H new ATOM 321 N HIS A 24 -2.046 -2.671 8.134 1.00 0.00 N ATOM 322 CA HIS A 24 -2.198 -2.543 6.684 1.00 0.00 C ATOM 323 C HIS A 24 -0.928 -1.883 6.148 1.00 0.00 C ATOM 324 O HIS A 24 -0.711 -0.694 6.382 1.00 0.00 O ATOM 325 CB HIS A 24 -3.451 -1.713 6.356 1.00 0.00 C ATOM 326 CG HIS A 24 -4.692 -2.189 7.067 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.117 -1.764 8.306 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.576 -3.132 6.617 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.233 -2.449 8.605 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.543 -3.306 7.615 1.00 0.00 N ATOM 0 H HIS A 24 -2.712 -2.102 8.656 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.331 -3.517 6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.267 -0.672 6.621 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.625 -1.742 5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.535 -3.646 5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.803 -2.329 9.514 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.329 -3.956 7.595 1.00 0.00 H new ATOM 338 N TRP A 25 -0.038 -2.663 5.542 1.00 0.00 N ATOM 339 CA TRP A 25 1.335 -2.263 5.278 1.00 0.00 C ATOM 340 C TRP A 25 1.438 -1.708 3.855 1.00 0.00 C ATOM 341 O TRP A 25 0.817 -2.279 2.955 1.00 0.00 O ATOM 342 CB TRP A 25 2.270 -3.461 5.520 1.00 0.00 C ATOM 343 CG TRP A 25 3.678 -3.080 5.849 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.596 -2.631 4.969 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.351 -3.085 7.146 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.734 -2.243 5.639 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.627 -2.465 6.993 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.014 -3.555 8.435 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.488 -2.241 8.076 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.893 -3.384 9.523 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.113 -2.708 9.344 1.00 0.00 C ATOM 0 H TRP A 25 -0.257 -3.605 5.217 1.00 0.00 H new ATOM 0 HA TRP A 25 1.645 -1.469 5.957 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.868 -4.063 6.335 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.274 -4.091 4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.459 -2.583 3.899 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.555 -1.841 5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.068 -4.053 8.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.423 -1.718 7.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.629 -3.773 10.496 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.766 -2.547 10.189 1.00 0.00 H new ATOM 362 N PRO A 26 2.182 -0.611 3.620 1.00 0.00 N ATOM 363 CA PRO A 26 2.408 -0.084 2.277 1.00 0.00 C ATOM 364 C PRO A 26 3.161 -1.108 1.423 1.00 0.00 C ATOM 365 O PRO A 26 4.238 -1.566 1.809 1.00 0.00 O ATOM 366 CB PRO A 26 3.207 1.210 2.474 1.00 0.00 C ATOM 367 CG PRO A 26 3.892 1.025 3.826 1.00 0.00 C ATOM 368 CD PRO A 26 2.866 0.216 4.609 1.00 0.00 C ATOM 0 HA PRO A 26 1.478 0.117 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.935 1.354 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.556 2.084 2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.840 0.495 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.107 1.980 4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.349 -0.399 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.164 0.869 5.127 1.00 0.00 H new ATOM 376 N ALA A 27 2.607 -1.478 0.270 1.00 0.00 N ATOM 377 CA ALA A 27 3.181 -2.492 -0.594 1.00 0.00 C ATOM 378 C ALA A 27 3.051 -2.078 -2.055 1.00 0.00 C ATOM 379 O ALA A 27 2.257 -1.195 -2.401 1.00 0.00 O ATOM 380 CB ALA A 27 2.462 -3.813 -0.319 1.00 0.00 C ATOM 0 H ALA A 27 1.741 -1.076 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 27 4.245 -2.611 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.877 -4.593 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.597 -4.090 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.399 -3.699 -0.529 1.00 0.00 H new ATOM 386 N ARG A 28 3.808 -2.735 -2.937 1.00 0.00 N ATOM 387 CA ARG A 28 3.766 -2.434 -4.364 1.00 0.00 C ATOM 388 C ARG A 28 3.557 -3.701 -5.171 1.00 0.00 C ATOM 389 O ARG A 28 4.026 -4.774 -4.777 1.00 0.00 O ATOM 390 CB ARG A 28 4.996 -1.593 -4.745 1.00 0.00 C ATOM 391 CG ARG A 28 6.330 -2.307 -5.022 1.00 0.00 C ATOM 392 CD ARG A 28 6.810 -2.103 -6.465 1.00 0.00 C ATOM 393 NE ARG A 28 8.210 -2.518 -6.652 1.00 0.00 N ATOM 394 CZ ARG A 28 8.915 -2.462 -7.788 1.00 0.00 C ATOM 395 NH1 ARG A 28 8.345 -2.029 -8.904 1.00 0.00 N ATOM 396 NH2 ARG A 28 10.188 -2.835 -7.782 1.00 0.00 N ATOM 0 H ARG A 28 4.458 -3.480 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 28 2.903 -1.816 -4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.739 -1.019 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.167 -0.877 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.089 -1.935 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.217 -3.373 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.172 -2.671 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.706 -1.052 -6.735 1.00 0.00 H new ATOM 0 HE ARG A 28 8.692 -2.886 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.367 -1.738 -8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.884 -1.987 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.620 -3.160 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.735 -2.796 -8.642 1.00 0.00 H new ATOM 410 N ILE A 29 2.837 -3.565 -6.281 1.00 0.00 N ATOM 411 CA ILE A 29 2.657 -4.612 -7.266 1.00 0.00 C ATOM 412 C ILE A 29 3.885 -4.471 -8.161 1.00 0.00 C ATOM 413 O ILE A 29 3.983 -3.542 -8.972 1.00 0.00 O ATOM 414 CB ILE A 29 1.306 -4.472 -8.012 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.104 -4.170 -7.093 1.00 0.00 C ATOM 416 CG2 ILE A 29 0.969 -5.747 -8.808 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.193 -5.270 -6.065 1.00 0.00 C ATOM 0 H ILE A 29 2.353 -2.700 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 29 2.594 -5.612 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 29 1.455 -3.619 -8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.291 -3.235 -6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.781 -4.016 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.015 -5.615 -9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.752 -5.935 -9.543 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.901 -6.594 -8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.052 -4.980 -5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.414 -6.203 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.675 -5.410 -5.421 1.00 0.00 H new ATOM 429 N ASP A 30 4.878 -5.314 -7.898 1.00 0.00 N ATOM 430 CA ASP A 30 6.106 -5.452 -8.672 1.00 0.00 C ATOM 431 C ASP A 30 5.864 -6.429 -9.839 1.00 0.00 C ATOM 432 O ASP A 30 4.735 -6.893 -10.034 1.00 0.00 O ATOM 433 CB ASP A 30 7.210 -5.924 -7.709 1.00 0.00 C ATOM 434 CG ASP A 30 8.636 -5.723 -8.227 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.821 -5.255 -9.378 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.570 -5.910 -7.420 1.00 0.00 O ATOM 0 H ASP A 30 4.847 -5.950 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 30 6.421 -4.508 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.102 -5.391 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.060 -6.983 -7.497 1.00 0.00 H new ATOM 441 N GLU A 31 6.891 -6.753 -10.616 1.00 0.00 N ATOM 442 CA GLU A 31 6.936 -7.837 -11.588 1.00 0.00 C ATOM 443 C GLU A 31 7.840 -8.962 -11.041 1.00 0.00 C ATOM 444 O GLU A 31 8.545 -8.789 -10.039 1.00 0.00 O ATOM 445 CB GLU A 31 7.460 -7.295 -12.937 1.00 0.00 C ATOM 446 CG GLU A 31 6.493 -6.644 -13.931 1.00 0.00 C ATOM 447 CD GLU A 31 5.302 -7.491 -14.396 1.00 0.00 C ATOM 448 OE1 GLU A 31 4.948 -8.525 -13.787 1.00 0.00 O ATOM 449 OE2 GLU A 31 4.665 -7.110 -15.402 1.00 0.00 O ATOM 0 H GLU A 31 7.768 -6.233 -10.581 1.00 0.00 H new ATOM 0 HA GLU A 31 5.939 -8.245 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.235 -6.562 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.945 -8.124 -13.453 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.104 -5.732 -13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.062 -6.346 -14.812 1.00 0.00 H new ATOM 456 N LEU A 32 7.817 -10.138 -11.681 1.00 0.00 N ATOM 457 CA LEU A 32 8.693 -11.263 -11.334 1.00 0.00 C ATOM 458 C LEU A 32 10.080 -11.071 -11.960 1.00 0.00 C ATOM 459 O LEU A 32 10.161 -10.474 -13.040 1.00 0.00 O ATOM 460 CB LEU A 32 8.096 -12.593 -11.841 1.00 0.00 C ATOM 461 CG LEU A 32 6.980 -13.098 -10.915 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.978 -14.001 -11.632 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.524 -13.798 -9.664 1.00 0.00 C ATOM 0 H LEU A 32 7.187 -10.336 -12.458 1.00 0.00 H new ATOM 0 HA LEU A 32 8.782 -11.297 -10.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.701 -12.455 -12.847 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.883 -13.344 -11.908 1.00 0.00 H new ATOM 0 HG LEU A 32 6.449 -12.201 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.213 -14.327 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.509 -13.449 -12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.496 -14.872 -12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.692 -14.135 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.127 -14.656 -9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.140 -13.101 -9.096 1.00 0.00 H new ATOM 475 N PRO A 33 11.141 -11.616 -11.340 1.00 0.00 N ATOM 476 CA PRO A 33 12.480 -11.697 -11.905 1.00 0.00 C ATOM 477 C PRO A 33 12.579 -12.924 -12.827 1.00 0.00 C ATOM 478 O PRO A 33 11.580 -13.584 -13.114 1.00 0.00 O ATOM 479 CB PRO A 33 13.377 -11.844 -10.672 1.00 0.00 C ATOM 480 CG PRO A 33 12.553 -12.769 -9.793 1.00 0.00 C ATOM 481 CD PRO A 33 11.122 -12.302 -10.052 1.00 0.00 C ATOM 0 HA PRO A 33 12.757 -10.837 -12.514 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.347 -12.275 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.568 -10.885 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.692 -13.815 -10.066 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.824 -12.675 -8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.435 -13.148 -10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.782 -11.634 -9.261 1.00 0.00 H new ATOM 489 N GLU A 34 13.796 -13.296 -13.225 1.00 0.00 N ATOM 490 CA GLU A 34 14.100 -14.440 -14.088 1.00 0.00 C ATOM 491 C GLU A 34 14.864 -15.548 -13.337 1.00 0.00 C ATOM 492 O GLU A 34 15.675 -16.267 -13.932 1.00 0.00 O ATOM 493 CB GLU A 34 14.811 -13.949 -15.362 1.00 0.00 C ATOM 494 CG GLU A 34 16.042 -13.073 -15.085 1.00 0.00 C ATOM 495 CD GLU A 34 16.835 -12.731 -16.347 1.00 0.00 C ATOM 496 OE1 GLU A 34 16.246 -12.683 -17.455 1.00 0.00 O ATOM 497 OE2 GLU A 34 18.065 -12.530 -16.225 1.00 0.00 O ATOM 0 H GLU A 34 14.634 -12.787 -12.943 1.00 0.00 H new ATOM 0 HA GLU A 34 13.168 -14.913 -14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.117 -14.813 -15.952 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.103 -13.383 -15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.721 -12.149 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.696 -13.589 -14.382 1.00 0.00 H new ATOM 504 N GLY A 35 14.630 -15.718 -12.031 1.00 0.00 N ATOM 505 CA GLY A 35 15.245 -16.799 -11.267 1.00 0.00 C ATOM 506 C GLY A 35 14.708 -16.932 -9.848 1.00 0.00 C ATOM 507 O GLY A 35 15.505 -17.053 -8.917 1.00 0.00 O ATOM 0 H GLY A 35 14.016 -15.116 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.087 -17.740 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.322 -16.634 -11.224 1.00 0.00 H new ATOM 511 N ALA A 36 13.385 -16.900 -9.669 1.00 0.00 N ATOM 512 CA ALA A 36 12.730 -16.977 -8.369 1.00 0.00 C ATOM 513 C ALA A 36 11.670 -18.083 -8.353 1.00 0.00 C ATOM 514 O ALA A 36 11.310 -18.627 -9.402 1.00 0.00 O ATOM 515 CB ALA A 36 12.124 -15.608 -8.070 1.00 0.00 C ATOM 0 H ALA A 36 12.728 -16.818 -10.445 1.00 0.00 H new ATOM 0 HA ALA A 36 13.453 -17.234 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.626 -15.635 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.914 -14.857 -8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.400 -15.354 -8.844 1.00 0.00 H new ATOM 521 N VAL A 37 11.157 -18.424 -7.168 1.00 0.00 N ATOM 522 CA VAL A 37 10.115 -19.436 -7.022 1.00 0.00 C ATOM 523 C VAL A 37 8.830 -18.929 -7.685 1.00 0.00 C ATOM 524 O VAL A 37 8.315 -17.865 -7.332 1.00 0.00 O ATOM 525 CB VAL A 37 9.985 -19.911 -5.563 1.00 0.00 C ATOM 526 CG1 VAL A 37 9.260 -18.917 -4.669 1.00 0.00 C ATOM 527 CG2 VAL A 37 9.282 -21.271 -5.455 1.00 0.00 C ATOM 0 H VAL A 37 11.453 -18.006 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 37 10.382 -20.350 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 37 11.013 -20.003 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.203 -19.314 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.804 -17.972 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.253 -18.752 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.214 -21.563 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.280 -21.197 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.852 -22.020 -6.004 1.00 0.00 H new ATOM 537 N LYS A 38 8.346 -19.653 -8.697 1.00 0.00 N ATOM 538 CA LYS A 38 7.183 -19.209 -9.462 1.00 0.00 C ATOM 539 C LYS A 38 5.911 -19.244 -8.598 1.00 0.00 C ATOM 540 O LYS A 38 5.775 -20.140 -7.758 1.00 0.00 O ATOM 541 CB LYS A 38 7.076 -19.942 -10.812 1.00 0.00 C ATOM 542 CG LYS A 38 7.083 -21.480 -10.819 1.00 0.00 C ATOM 543 CD LYS A 38 5.714 -22.102 -10.531 1.00 0.00 C ATOM 544 CE LYS A 38 5.752 -23.578 -10.932 1.00 0.00 C ATOM 545 NZ LYS A 38 4.429 -24.211 -10.791 1.00 0.00 N ATOM 0 H LYS A 38 8.740 -20.543 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 38 7.314 -18.162 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.156 -19.613 -11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.902 -19.605 -11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.434 -21.829 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.797 -21.835 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.469 -22.004 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.937 -21.579 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.091 -23.667 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.477 -24.106 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.491 -25.211 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.118 -24.147 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.743 -23.722 -11.402 1.00 0.00 H new ATOM 559 N PRO A 39 4.986 -18.281 -8.753 1.00 0.00 N ATOM 560 CA PRO A 39 3.815 -18.150 -7.887 1.00 0.00 C ATOM 561 C PRO A 39 2.621 -19.001 -8.302 1.00 0.00 C ATOM 562 O PRO A 39 2.520 -19.419 -9.464 1.00 0.00 O ATOM 563 CB PRO A 39 3.451 -16.668 -7.949 1.00 0.00 C ATOM 564 CG PRO A 39 3.911 -16.232 -9.335 1.00 0.00 C ATOM 565 CD PRO A 39 5.140 -17.096 -9.587 1.00 0.00 C ATOM 0 HA PRO A 39 4.059 -18.506 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.380 -16.514 -7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.953 -16.101 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.140 -16.402 -10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.154 -15.170 -9.362 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.214 -17.369 -10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.053 -16.557 -9.332 1.00 0.00 H new ATOM 573 N PRO A 40 1.670 -19.227 -7.373 1.00 0.00 N ATOM 574 CA PRO A 40 0.425 -19.891 -7.692 1.00 0.00 C ATOM 575 C PRO A 40 -0.514 -18.962 -8.441 1.00 0.00 C ATOM 576 O PRO A 40 -0.568 -17.762 -8.159 1.00 0.00 O ATOM 577 CB PRO A 40 -0.168 -20.349 -6.361 1.00 0.00 C ATOM 578 CG PRO A 40 0.344 -19.290 -5.389 1.00 0.00 C ATOM 579 CD PRO A 40 1.702 -18.879 -5.957 1.00 0.00 C ATOM 0 HA PRO A 40 0.586 -20.742 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.257 -20.379 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.171 -21.348 -6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.337 -18.441 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.440 -19.690 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.874 -17.811 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.512 -19.399 -5.446 1.00 0.00 H new ATOM 587 N ALA A 41 -1.259 -19.538 -9.388 1.00 0.00 N ATOM 588 CA ALA A 41 -2.071 -18.787 -10.322 1.00 0.00 C ATOM 589 C ALA A 41 -3.352 -18.287 -9.658 1.00 0.00 C ATOM 590 O ALA A 41 -4.415 -18.886 -9.835 1.00 0.00 O ATOM 591 CB ALA A 41 -2.390 -19.622 -11.563 1.00 0.00 C ATOM 0 H ALA A 41 -1.309 -20.548 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.497 -17.917 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.001 -19.035 -12.249 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.462 -19.908 -12.058 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.935 -20.519 -11.268 1.00 0.00 H new ATOM 597 N ASN A 42 -3.241 -17.255 -8.829 1.00 0.00 N ATOM 598 CA ASN A 42 -4.326 -16.566 -8.120 1.00 0.00 C ATOM 599 C ASN A 42 -3.785 -15.347 -7.356 1.00 0.00 C ATOM 600 O ASN A 42 -4.497 -14.770 -6.532 1.00 0.00 O ATOM 601 CB ASN A 42 -5.032 -17.531 -7.131 1.00 0.00 C ATOM 602 CG ASN A 42 -6.513 -17.709 -7.447 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.391 -17.383 -6.654 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.833 -18.246 -8.607 1.00 0.00 N ATOM 0 H ASN A 42 -2.331 -16.846 -8.617 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.050 -16.227 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.538 -18.502 -7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.924 -17.149 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.813 -18.392 -8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.100 -18.516 -9.264 1.00 0.00 H new ATOM 611 N LYS A 43 -2.503 -15.005 -7.531 1.00 0.00 N ATOM 612 CA LYS A 43 -1.747 -14.121 -6.651 1.00 0.00 C ATOM 613 C LYS A 43 -0.913 -13.152 -7.488 1.00 0.00 C ATOM 614 O LYS A 43 -1.015 -13.170 -8.716 1.00 0.00 O ATOM 615 CB LYS A 43 -0.884 -14.962 -5.688 1.00 0.00 C ATOM 616 CG LYS A 43 -1.688 -15.947 -4.813 1.00 0.00 C ATOM 617 CD LYS A 43 -0.872 -16.312 -3.569 1.00 0.00 C ATOM 618 CE LYS A 43 -1.389 -17.512 -2.774 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.503 -17.803 -1.622 1.00 0.00 N ATOM 0 H LYS A 43 -1.950 -15.350 -8.316 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.425 -13.523 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.153 -15.524 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.325 -14.289 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.637 -15.498 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.924 -16.846 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.154 -16.515 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.842 -15.446 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.400 -17.310 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.448 -18.386 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.081 -18.026 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.105 -18.615 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.089 -16.972 -1.421 1.00 0.00 H new ATOM 633 N TYR A 44 -0.115 -12.314 -6.825 1.00 0.00 N ATOM 634 CA TYR A 44 0.797 -11.353 -7.438 1.00 0.00 C ATOM 635 C TYR A 44 2.105 -11.316 -6.631 1.00 0.00 C ATOM 636 O TYR A 44 2.061 -11.591 -5.426 1.00 0.00 O ATOM 637 CB TYR A 44 0.145 -9.962 -7.467 1.00 0.00 C ATOM 638 CG TYR A 44 -1.310 -9.942 -7.898 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.645 -9.838 -9.259 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.328 -10.074 -6.933 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.994 -9.846 -9.655 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.676 -10.101 -7.324 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.016 -9.966 -8.689 1.00 0.00 C ATOM 644 OH TYR A 44 -5.319 -9.930 -9.078 1.00 0.00 O ATOM 0 H TYR A 44 -0.087 -12.287 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 44 1.016 -11.653 -8.463 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.219 -9.522 -6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.716 -9.324 -8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.865 -9.752 -10.001 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.070 -10.155 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.249 -9.760 -10.701 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.452 -10.225 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.888 -10.245 -8.345 1.00 0.00 H new ATOM 654 N PRO A 45 3.258 -10.979 -7.239 1.00 0.00 N ATOM 655 CA PRO A 45 4.518 -10.724 -6.540 1.00 0.00 C ATOM 656 C PRO A 45 4.452 -9.406 -5.758 1.00 0.00 C ATOM 657 O PRO A 45 4.737 -8.338 -6.302 1.00 0.00 O ATOM 658 CB PRO A 45 5.604 -10.702 -7.627 1.00 0.00 C ATOM 659 CG PRO A 45 4.852 -10.342 -8.900 1.00 0.00 C ATOM 660 CD PRO A 45 3.439 -10.880 -8.680 1.00 0.00 C ATOM 0 HA PRO A 45 4.735 -11.492 -5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.378 -9.969 -7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.098 -11.670 -7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.844 -9.264 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.316 -10.795 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.697 -10.214 -9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.315 -11.853 -9.155 1.00 0.00 H new ATOM 668 N ILE A 46 4.059 -9.457 -4.487 1.00 0.00 N ATOM 669 CA ILE A 46 3.978 -8.273 -3.640 1.00 0.00 C ATOM 670 C ILE A 46 5.345 -8.049 -2.980 1.00 0.00 C ATOM 671 O ILE A 46 5.999 -9.004 -2.542 1.00 0.00 O ATOM 672 CB ILE A 46 2.846 -8.443 -2.601 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.495 -8.882 -3.206 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.634 -7.148 -1.817 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.921 -7.924 -4.257 1.00 0.00 C ATOM 0 H ILE A 46 3.788 -10.321 -4.017 1.00 0.00 H new ATOM 0 HA ILE A 46 3.735 -7.391 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 46 3.182 -9.245 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.618 -9.865 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.770 -8.991 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.833 -7.289 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.554 -6.884 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.364 -6.347 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.028 -8.314 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.760 -6.944 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.622 -7.832 -5.087 1.00 0.00 H new ATOM 687 N PHE A 47 5.754 -6.787 -2.865 1.00 0.00 N ATOM 688 CA PHE A 47 6.935 -6.330 -2.138 1.00 0.00 C ATOM 689 C PHE A 47 6.474 -5.391 -1.018 1.00 0.00 C ATOM 690 O PHE A 47 5.613 -4.540 -1.256 1.00 0.00 O ATOM 691 CB PHE A 47 7.852 -5.634 -3.147 1.00 0.00 C ATOM 692 CG PHE A 47 9.131 -5.041 -2.596 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.165 -5.885 -2.146 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.333 -3.647 -2.626 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.399 -5.350 -1.738 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.589 -3.126 -2.270 1.00 0.00 C ATOM 697 CZ PHE A 47 11.618 -3.965 -1.803 1.00 0.00 C ATOM 0 H PHE A 47 5.244 -6.017 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 47 7.488 -7.148 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.115 -6.353 -3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.286 -4.837 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.008 -6.953 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.531 -2.986 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.178 -6.004 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.767 -2.064 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.566 -3.548 -1.498 1.00 0.00 H new ATOM 707 N PHE A 48 6.983 -5.579 0.204 1.00 0.00 N ATOM 708 CA PHE A 48 6.669 -4.772 1.382 1.00 0.00 C ATOM 709 C PHE A 48 7.657 -3.615 1.448 1.00 0.00 C ATOM 710 O PHE A 48 8.848 -3.848 1.679 1.00 0.00 O ATOM 711 CB PHE A 48 6.802 -5.602 2.672 1.00 0.00 C ATOM 712 CG PHE A 48 5.749 -6.674 2.873 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.829 -7.884 2.159 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.664 -6.455 3.745 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.824 -8.853 2.286 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.652 -7.424 3.869 1.00 0.00 C ATOM 717 CZ PHE A 48 3.720 -8.611 3.115 1.00 0.00 C ATOM 0 H PHE A 48 7.649 -6.325 0.404 1.00 0.00 H new ATOM 0 HA PHE A 48 5.643 -4.414 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.783 -6.076 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.771 -4.923 3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.671 -8.067 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.609 -5.542 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.900 -9.785 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.824 -7.258 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.921 -9.335 3.175 1.00 0.00 H new ATOM 727 N PHE A 49 7.186 -2.385 1.254 1.00 0.00 N ATOM 728 CA PHE A 49 7.996 -1.192 1.465 1.00 0.00 C ATOM 729 C PHE A 49 8.428 -1.088 2.929 1.00 0.00 C ATOM 730 O PHE A 49 7.800 -1.652 3.829 1.00 0.00 O ATOM 731 CB PHE A 49 7.229 0.033 0.951 1.00 0.00 C ATOM 732 CG PHE A 49 7.337 0.261 -0.544 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.619 0.395 -1.110 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.201 0.483 -1.348 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.782 0.788 -2.441 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.367 0.893 -2.680 1.00 0.00 C ATOM 737 CZ PHE A 49 7.649 1.009 -3.237 1.00 0.00 C ATOM 0 H PHE A 49 6.233 -2.190 0.947 1.00 0.00 H new ATOM 0 HA PHE A 49 8.922 -1.249 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.177 -0.076 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.596 0.919 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.491 0.191 -0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.211 0.339 -0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.772 0.920 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.500 1.121 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.764 1.269 -4.279 1.00 0.00 H new ATOM 747 N GLY A 50 9.541 -0.405 3.179 1.00 0.00 N ATOM 748 CA GLY A 50 10.100 -0.202 4.506 1.00 0.00 C ATOM 749 C GLY A 50 10.752 -1.430 5.155 1.00 0.00 C ATOM 750 O GLY A 50 11.574 -1.236 6.049 1.00 0.00 O ATOM 0 H GLY A 50 10.092 0.034 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.844 0.592 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.306 0.153 5.163 1.00 0.00 H new ATOM 754 N THR A 51 10.440 -2.673 4.755 1.00 0.00 N ATOM 755 CA THR A 51 11.064 -3.880 5.328 1.00 0.00 C ATOM 756 C THR A 51 11.730 -4.785 4.290 1.00 0.00 C ATOM 757 O THR A 51 12.490 -5.688 4.653 1.00 0.00 O ATOM 758 CB THR A 51 10.054 -4.688 6.153 1.00 0.00 C ATOM 759 OG1 THR A 51 9.078 -5.317 5.341 1.00 0.00 O ATOM 760 CG2 THR A 51 9.329 -3.836 7.192 1.00 0.00 C ATOM 0 H THR A 51 9.752 -2.871 4.029 1.00 0.00 H new ATOM 0 HA THR A 51 11.858 -3.512 5.978 1.00 0.00 H new ATOM 0 HB THR A 51 10.651 -5.445 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.457 -5.821 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.627 -4.458 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.056 -3.406 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.786 -3.035 6.691 1.00 0.00 H new ATOM 768 N HIS A 52 11.433 -4.555 3.012 1.00 0.00 N ATOM 769 CA HIS A 52 11.945 -5.259 1.837 1.00 0.00 C ATOM 770 C HIS A 52 11.580 -6.750 1.830 1.00 0.00 C ATOM 771 O HIS A 52 12.179 -7.531 1.085 1.00 0.00 O ATOM 772 CB HIS A 52 13.452 -5.005 1.619 1.00 0.00 C ATOM 773 CG HIS A 52 14.010 -3.646 1.995 1.00 0.00 C ATOM 774 ND1 HIS A 52 13.347 -2.454 2.157 1.00 0.00 N flip ATOM 775 CD2 HIS A 52 15.346 -3.402 2.220 1.00 0.00 C flip ATOM 776 CE1 HIS A 52 14.286 -1.504 2.565 1.00 0.00 C flip ATOM 777 NE2 HIS A 52 15.484 -2.108 2.529 1.00 0.00 N flip ATOM 0 H HIS A 52 10.779 -3.817 2.751 1.00 0.00 H new ATOM 0 HA HIS A 52 11.435 -4.832 0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.002 -5.759 2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.669 -5.174 0.564 1.00 0.00 H new ATOM 0 HD2 HIS A 52 16.143 -4.128 2.158 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.087 -0.482 2.853 1.00 0.00 H new ATOM 0 HE2 HIS A 52 16.374 -1.645 2.712 1.00 0.00 H new ATOM 785 N GLU A 53 10.606 -7.155 2.652 1.00 0.00 N ATOM 786 CA GLU A 53 10.036 -8.491 2.586 1.00 0.00 C ATOM 787 C GLU A 53 9.225 -8.650 1.297 1.00 0.00 C ATOM 788 O GLU A 53 8.914 -7.687 0.588 1.00 0.00 O ATOM 789 CB GLU A 53 9.166 -8.784 3.821 1.00 0.00 C ATOM 790 CG GLU A 53 10.021 -9.067 5.058 1.00 0.00 C ATOM 791 CD GLU A 53 9.187 -9.651 6.201 1.00 0.00 C ATOM 792 OE1 GLU A 53 8.617 -10.751 6.041 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.041 -8.961 7.242 1.00 0.00 O ATOM 0 H GLU A 53 10.197 -6.564 3.376 1.00 0.00 H new ATOM 0 HA GLU A 53 10.851 -9.215 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.513 -7.934 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.523 -9.640 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.819 -9.762 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.498 -8.145 5.390 1.00 0.00 H new ATOM 800 N THR A 54 8.823 -9.885 1.030 1.00 0.00 N ATOM 801 CA THR A 54 8.179 -10.314 -0.196 1.00 0.00 C ATOM 802 C THR A 54 7.105 -11.331 0.162 1.00 0.00 C ATOM 803 O THR A 54 7.299 -12.106 1.103 1.00 0.00 O ATOM 804 CB THR A 54 9.246 -10.966 -1.088 1.00 0.00 C ATOM 805 OG1 THR A 54 10.026 -11.885 -0.326 1.00 0.00 O ATOM 806 CG2 THR A 54 10.160 -9.918 -1.724 1.00 0.00 C ATOM 0 H THR A 54 8.944 -10.648 1.696 1.00 0.00 H new ATOM 0 HA THR A 54 7.723 -9.475 -0.722 1.00 0.00 H new ATOM 0 HB THR A 54 8.731 -11.498 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.702 -12.297 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.903 -10.414 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.565 -9.240 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.664 -9.352 -0.941 1.00 0.00 H new ATOM 814 N ALA A 55 6.008 -11.382 -0.590 1.00 0.00 N ATOM 815 CA ALA A 55 5.044 -12.468 -0.506 1.00 0.00 C ATOM 816 C ALA A 55 4.373 -12.665 -1.860 1.00 0.00 C ATOM 817 O ALA A 55 4.447 -11.794 -2.734 1.00 0.00 O ATOM 818 CB ALA A 55 3.987 -12.137 0.553 1.00 0.00 C ATOM 0 H ALA A 55 5.765 -10.667 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 55 5.559 -13.387 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.266 -12.952 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.470 -12.007 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.472 -11.217 0.278 1.00 0.00 H new ATOM 824 N PHE A 56 3.648 -13.769 -1.998 1.00 0.00 N ATOM 825 CA PHE A 56 2.671 -13.967 -3.049 1.00 0.00 C ATOM 826 C PHE A 56 1.319 -13.946 -2.364 1.00 0.00 C ATOM 827 O PHE A 56 1.025 -14.836 -1.567 1.00 0.00 O ATOM 828 CB PHE A 56 2.934 -15.273 -3.800 1.00 0.00 C ATOM 829 CG PHE A 56 4.265 -15.287 -4.520 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.537 -14.323 -5.508 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.229 -16.265 -4.217 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.754 -14.358 -6.208 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.446 -16.291 -4.917 1.00 0.00 C ATOM 834 CZ PHE A 56 6.704 -15.349 -5.926 1.00 0.00 C ATOM 0 H PHE A 56 3.729 -14.566 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 56 2.721 -13.188 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.901 -16.104 -3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.135 -15.436 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.810 -13.556 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.033 -16.996 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.959 -13.618 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.187 -17.039 -4.678 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.629 -15.388 -6.482 1.00 0.00 H new ATOM 844 N LEU A 57 0.513 -12.917 -2.636 1.00 0.00 N ATOM 845 CA LEU A 57 -0.762 -12.675 -1.960 1.00 0.00 C ATOM 846 C LEU A 57 -1.844 -12.568 -3.028 1.00 0.00 C ATOM 847 O LEU A 57 -1.595 -12.015 -4.101 1.00 0.00 O ATOM 848 CB LEU A 57 -0.701 -11.395 -1.100 1.00 0.00 C ATOM 849 CG LEU A 57 0.483 -11.351 -0.111 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.596 -10.003 0.606 1.00 0.00 C ATOM 851 CD2 LEU A 57 0.371 -12.439 0.960 1.00 0.00 C ATOM 0 H LEU A 57 0.733 -12.217 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.987 -13.498 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.640 -10.530 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.631 -11.303 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 57 1.371 -11.515 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.444 -10.025 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.742 -9.211 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.318 -9.812 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.224 -12.373 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.551 -12.300 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.360 -13.419 0.483 1.00 0.00 H new ATOM 863 N GLY A 58 -3.032 -13.104 -2.747 1.00 0.00 N ATOM 864 CA GLY A 58 -4.182 -13.033 -3.629 1.00 0.00 C ATOM 865 C GLY A 58 -4.954 -11.733 -3.411 1.00 0.00 C ATOM 866 O GLY A 58 -4.791 -11.077 -2.378 1.00 0.00 O ATOM 0 H GLY A 58 -3.219 -13.609 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.854 -13.097 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.837 -13.885 -3.449 1.00 0.00 H new ATOM 870 N PRO A 59 -5.836 -11.370 -4.355 1.00 0.00 N ATOM 871 CA PRO A 59 -6.453 -10.053 -4.407 1.00 0.00 C ATOM 872 C PRO A 59 -7.344 -9.781 -3.198 1.00 0.00 C ATOM 873 O PRO A 59 -7.382 -8.652 -2.726 1.00 0.00 O ATOM 874 CB PRO A 59 -7.218 -9.990 -5.736 1.00 0.00 C ATOM 875 CG PRO A 59 -7.379 -11.451 -6.163 1.00 0.00 C ATOM 876 CD PRO A 59 -6.209 -12.178 -5.499 1.00 0.00 C ATOM 0 HA PRO A 59 -5.699 -9.267 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.186 -9.505 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.668 -9.418 -6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.336 -11.857 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.345 -11.553 -7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.498 -13.182 -5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.373 -12.286 -6.190 1.00 0.00 H new ATOM 884 N LYS A 60 -7.997 -10.804 -2.639 1.00 0.00 N ATOM 885 CA LYS A 60 -8.823 -10.684 -1.453 1.00 0.00 C ATOM 886 C LYS A 60 -8.048 -10.158 -0.241 1.00 0.00 C ATOM 887 O LYS A 60 -8.635 -9.461 0.584 1.00 0.00 O ATOM 888 CB LYS A 60 -9.439 -12.067 -1.203 1.00 0.00 C ATOM 889 CG LYS A 60 -10.387 -12.055 -0.008 1.00 0.00 C ATOM 890 CD LYS A 60 -10.988 -13.439 0.239 1.00 0.00 C ATOM 891 CE LYS A 60 -11.670 -13.478 1.607 1.00 0.00 C ATOM 892 NZ LYS A 60 -12.974 -12.790 1.629 1.00 0.00 N ATOM 0 H LYS A 60 -7.960 -11.753 -3.012 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.605 -9.941 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.979 -12.391 -2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.645 -12.793 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.850 -11.725 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.186 -11.335 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.710 -13.676 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.206 -14.197 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.810 -14.517 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.013 -13.020 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.383 -12.852 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.844 -11.790 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.616 -13.241 0.947 1.00 0.00 H new ATOM 906 N ASP A 61 -6.758 -10.475 -0.104 1.00 0.00 N ATOM 907 CA ASP A 61 -5.963 -10.003 1.033 1.00 0.00 C ATOM 908 C ASP A 61 -5.442 -8.578 0.798 1.00 0.00 C ATOM 909 O ASP A 61 -4.866 -7.985 1.712 1.00 0.00 O ATOM 910 CB ASP A 61 -4.790 -10.966 1.317 1.00 0.00 C ATOM 911 CG ASP A 61 -5.225 -12.237 2.045 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.780 -12.147 3.163 1.00 0.00 O ATOM 913 OD2 ASP A 61 -5.034 -13.352 1.502 1.00 0.00 O ATOM 0 H ASP A 61 -6.242 -11.056 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.615 -9.982 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.314 -11.238 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.040 -10.450 1.916 1.00 0.00 H new ATOM 918 N LEU A 62 -5.567 -8.038 -0.417 1.00 0.00 N ATOM 919 CA LEU A 62 -4.978 -6.786 -0.877 1.00 0.00 C ATOM 920 C LEU A 62 -6.068 -5.730 -1.027 1.00 0.00 C ATOM 921 O LEU A 62 -7.227 -6.061 -1.282 1.00 0.00 O ATOM 922 CB LEU A 62 -4.302 -7.043 -2.238 1.00 0.00 C ATOM 923 CG LEU A 62 -3.082 -7.977 -2.171 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.644 -8.402 -3.573 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.913 -7.291 -1.465 1.00 0.00 C ATOM 0 H LEU A 62 -6.116 -8.493 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.243 -6.426 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.036 -7.472 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.991 -6.088 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.375 -8.861 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.780 -9.062 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.462 -8.928 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.378 -7.519 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.061 -7.970 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.636 -6.390 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.207 -7.024 -0.450 1.00 0.00 H new ATOM 937 N PHE A 63 -5.687 -4.457 -0.926 1.00 0.00 N ATOM 938 CA PHE A 63 -6.610 -3.333 -1.036 1.00 0.00 C ATOM 939 C PHE A 63 -6.017 -2.263 -1.958 1.00 0.00 C ATOM 940 O PHE A 63 -4.808 -2.014 -1.862 1.00 0.00 O ATOM 941 CB PHE A 63 -6.889 -2.767 0.360 1.00 0.00 C ATOM 942 CG PHE A 63 -7.701 -3.702 1.236 1.00 0.00 C ATOM 943 CD1 PHE A 63 -9.105 -3.653 1.201 1.00 0.00 C ATOM 944 CD2 PHE A 63 -7.059 -4.646 2.059 1.00 0.00 C ATOM 945 CE1 PHE A 63 -9.860 -4.515 2.012 1.00 0.00 C ATOM 946 CE2 PHE A 63 -7.811 -5.513 2.870 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.214 -5.439 2.853 1.00 0.00 C ATOM 0 H PHE A 63 -4.720 -4.177 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.553 -3.668 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.941 -2.551 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.420 -1.820 0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.604 -2.951 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.981 -4.705 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.939 -4.469 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.313 -6.232 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.797 -6.092 3.486 1.00 0.00 H new ATOM 957 N PRO A 64 -6.836 -1.613 -2.811 1.00 0.00 N ATOM 958 CA PRO A 64 -6.386 -0.561 -3.710 1.00 0.00 C ATOM 959 C PRO A 64 -5.769 0.573 -2.901 1.00 0.00 C ATOM 960 O PRO A 64 -6.418 1.115 -2.002 1.00 0.00 O ATOM 961 CB PRO A 64 -7.610 -0.066 -4.493 1.00 0.00 C ATOM 962 CG PRO A 64 -8.799 -0.883 -3.997 1.00 0.00 C ATOM 963 CD PRO A 64 -8.278 -1.781 -2.883 1.00 0.00 C ATOM 0 HA PRO A 64 -5.628 -0.932 -4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.774 0.999 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.466 -0.202 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.591 -0.230 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.225 -1.477 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.741 -1.517 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.531 -2.822 -3.082 1.00 0.00 H new ATOM 971 N TYR A 65 -4.535 0.964 -3.224 1.00 0.00 N ATOM 972 CA TYR A 65 -3.904 2.077 -2.541 1.00 0.00 C ATOM 973 C TYR A 65 -4.740 3.331 -2.725 1.00 0.00 C ATOM 974 O TYR A 65 -5.036 3.977 -1.732 1.00 0.00 O ATOM 975 CB TYR A 65 -2.475 2.293 -3.020 1.00 0.00 C ATOM 976 CG TYR A 65 -1.804 3.507 -2.435 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.178 3.433 -1.177 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.817 4.714 -3.152 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.585 4.576 -0.612 1.00 0.00 C ATOM 980 CE2 TYR A 65 -1.193 5.839 -2.603 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.588 5.790 -1.330 1.00 0.00 C ATOM 982 OH TYR A 65 -0.041 6.915 -0.802 1.00 0.00 O ATOM 0 H TYR A 65 -3.964 0.527 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.849 1.842 -1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.884 1.411 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.477 2.381 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.153 2.494 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.302 4.773 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.130 4.525 0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.174 6.762 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 65 0.065 7.588 -1.506 1.00 0.00 H new ATOM 992 N LYS A 66 -5.163 3.673 -3.948 1.00 0.00 N ATOM 993 CA LYS A 66 -5.824 4.958 -4.186 1.00 0.00 C ATOM 994 C LYS A 66 -7.030 5.180 -3.273 1.00 0.00 C ATOM 995 O LYS A 66 -7.184 6.267 -2.719 1.00 0.00 O ATOM 996 CB LYS A 66 -6.209 5.118 -5.667 1.00 0.00 C ATOM 997 CG LYS A 66 -5.461 6.319 -6.257 1.00 0.00 C ATOM 998 CD LYS A 66 -6.030 6.772 -7.608 1.00 0.00 C ATOM 999 CE LYS A 66 -5.578 8.202 -7.933 1.00 0.00 C ATOM 1000 NZ LYS A 66 -6.363 9.241 -7.227 1.00 0.00 N ATOM 0 H LYS A 66 -5.061 3.086 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.099 5.733 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.960 4.212 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.285 5.263 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.505 7.150 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.409 6.061 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.699 6.093 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.119 6.726 -7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.526 8.311 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.657 8.365 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.008 10.183 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.365 9.161 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.268 9.109 -6.200 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.866 4.159 -3.092 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.998 4.202 -2.176 1.00 0.00 C ATOM 1016 C GLU A 67 -8.516 4.345 -0.730 1.00 0.00 C ATOM 1017 O GLU A 67 -8.934 5.251 0.000 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.858 2.937 -2.354 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.061 3.168 -3.279 1.00 0.00 C ATOM 1020 CD GLU A 67 -10.898 2.530 -4.652 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.190 1.322 -4.743 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -10.537 3.251 -5.613 1.00 0.00 O ATOM 0 H GLU A 67 -7.773 3.270 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.611 5.073 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.240 2.136 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.213 2.603 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.957 2.768 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.216 4.240 -3.401 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.635 3.449 -0.293 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.246 3.330 1.105 1.00 0.00 C ATOM 1031 C TYR A 68 -6.117 4.280 1.501 1.00 0.00 C ATOM 1032 O TYR A 68 -5.712 4.279 2.657 1.00 0.00 O ATOM 1033 CB TYR A 68 -6.945 1.868 1.414 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.223 1.055 1.490 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.817 0.557 0.317 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -8.849 0.849 2.731 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.988 -0.217 0.386 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.015 0.071 2.816 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.575 -0.481 1.644 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.671 -1.281 1.735 1.00 0.00 O ATOM 0 H TYR A 68 -7.168 2.781 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.082 3.649 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.293 1.456 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.407 1.796 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.371 0.771 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.432 1.291 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.436 -0.607 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.481 -0.104 3.774 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.944 -1.357 2.673 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.636 5.142 0.610 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.549 6.071 0.823 1.00 0.00 C ATOM 1052 C LYS A 69 -4.870 6.941 2.032 1.00 0.00 C ATOM 1053 O LYS A 69 -4.071 7.011 2.968 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.358 6.819 -0.511 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.462 8.033 -0.369 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.269 8.778 -1.700 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.198 9.857 -1.518 1.00 0.00 C ATOM 1058 NZ LYS A 69 -1.881 10.587 -2.760 1.00 0.00 N ATOM 0 H LYS A 69 -6.022 5.209 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.597 5.602 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.930 6.139 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.330 7.131 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.891 8.714 0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.490 7.721 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.971 8.080 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.208 9.230 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.535 10.568 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.288 9.394 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.150 11.301 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.531 9.919 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.738 11.057 -3.115 1.00 0.00 H new ATOM 1072 N ASP A 70 -6.067 7.534 2.087 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.435 8.351 3.244 1.00 0.00 C ATOM 1074 C ASP A 70 -6.969 7.530 4.415 1.00 0.00 C ATOM 1075 O ASP A 70 -6.918 8.015 5.545 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.438 9.443 2.901 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.115 10.697 3.716 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -6.201 11.445 3.305 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.748 10.928 4.770 1.00 0.00 O ATOM 0 H ASP A 70 -6.781 7.466 1.362 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.500 8.819 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.399 9.667 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.451 9.104 3.118 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.380 6.272 4.215 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.807 5.392 5.306 1.00 0.00 C ATOM 1086 C LYS A 71 -6.612 4.728 6.016 1.00 0.00 C ATOM 1087 O LYS A 71 -6.415 4.959 7.210 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.867 4.385 4.810 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.495 3.675 6.020 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.728 2.804 5.733 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.989 3.636 5.442 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.227 2.905 5.795 1.00 0.00 N ATOM 0 H LYS A 71 -7.425 5.837 3.293 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.288 6.002 6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.637 4.902 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.408 3.655 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.733 3.048 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.773 4.431 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.520 2.157 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.916 2.154 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.946 4.569 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.013 3.901 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.054 3.500 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.282 2.027 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.217 2.674 6.809 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.858 3.877 5.320 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.778 3.022 5.816 1.00 0.00 C ATOM 1108 C PHE A 72 -3.400 3.699 5.805 1.00 0.00 C ATOM 1109 O PHE A 72 -2.585 3.389 6.677 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.719 1.744 4.959 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.884 0.767 5.063 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.857 0.847 6.084 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -5.972 -0.272 4.118 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.894 -0.100 6.151 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -6.989 -1.238 4.203 1.00 0.00 C ATOM 1116 CZ PHE A 72 -7.955 -1.150 5.219 1.00 0.00 C ATOM 0 H PHE A 72 -5.997 3.758 4.317 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.007 2.797 6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.625 2.044 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.807 1.207 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.804 1.639 6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.249 -0.328 3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.646 -0.020 6.922 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.028 -2.047 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.742 -1.887 5.284 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.120 4.609 4.867 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.868 5.365 4.762 1.00 0.00 C ATOM 1128 C GLY A 73 -1.706 6.431 5.857 1.00 0.00 C ATOM 1129 O GLY A 73 -1.647 7.630 5.562 1.00 0.00 O ATOM 0 H GLY A 73 -3.785 4.849 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.028 4.672 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.824 5.848 3.786 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.620 6.000 7.118 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.411 6.794 8.330 1.00 0.00 C ATOM 1135 C LYS A 74 -0.258 6.098 9.017 1.00 0.00 C ATOM 1136 O LYS A 74 -0.214 4.858 8.998 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.601 6.792 9.314 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.945 7.419 8.914 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.992 8.951 8.754 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.449 9.471 7.418 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.835 10.876 7.157 1.00 0.00 N ATOM 0 H LYS A 74 -1.701 5.007 7.334 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.254 7.837 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.797 5.753 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.269 7.296 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.258 6.972 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.685 7.135 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.024 9.283 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.422 9.405 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.362 9.390 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.818 8.840 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.444 11.179 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.872 10.952 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.461 11.485 7.913 1.00 0.00 H new ATOM 1155 N SER A 75 0.642 6.852 9.640 1.00 0.00 N ATOM 1156 CA SER A 75 1.787 6.284 10.293 1.00 0.00 C ATOM 1157 C SER A 75 1.336 5.268 11.334 1.00 0.00 C ATOM 1158 O SER A 75 0.257 5.368 11.935 1.00 0.00 O ATOM 1159 CB SER A 75 2.705 7.396 10.828 1.00 0.00 C ATOM 1160 OG SER A 75 2.234 7.982 12.027 1.00 0.00 O ATOM 0 H SER A 75 0.587 7.869 9.699 1.00 0.00 H new ATOM 0 HA SER A 75 2.399 5.728 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.700 6.985 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.806 8.171 10.068 1.00 0.00 H new ATOM 0 HG SER A 75 2.859 8.679 12.318 1.00 0.00 H new ATOM 1166 N ASN A 76 2.197 4.290 11.532 1.00 0.00 N ATOM 1167 CA ASN A 76 2.058 3.243 12.542 1.00 0.00 C ATOM 1168 C ASN A 76 3.345 3.180 13.364 1.00 0.00 C ATOM 1169 O ASN A 76 4.338 3.799 12.977 1.00 0.00 O ATOM 1170 CB ASN A 76 1.720 1.899 11.883 1.00 0.00 C ATOM 1171 CG ASN A 76 1.135 0.936 12.904 1.00 0.00 C ATOM 1172 OD1 ASN A 76 1.871 0.212 13.563 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.170 0.937 13.101 1.00 0.00 N ATOM 0 H ASN A 76 3.047 4.193 10.976 1.00 0.00 H new ATOM 0 HA ASN A 76 1.231 3.474 13.214 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.009 2.054 11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.618 1.468 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.579 0.329 13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.769 1.546 12.544 1.00 0.00 H new ATOM 1180 N LYS A 77 3.356 2.483 14.503 1.00 0.00 N ATOM 1181 CA LYS A 77 4.524 2.430 15.379 1.00 0.00 C ATOM 1182 C LYS A 77 5.547 1.380 14.942 1.00 0.00 C ATOM 1183 O LYS A 77 6.693 1.454 15.390 1.00 0.00 O ATOM 1184 CB LYS A 77 4.067 2.197 16.833 1.00 0.00 C ATOM 1185 CG LYS A 77 4.842 3.031 17.867 1.00 0.00 C ATOM 1186 CD LYS A 77 4.599 4.546 17.718 1.00 0.00 C ATOM 1187 CE LYS A 77 5.013 5.339 18.965 1.00 0.00 C ATOM 1188 NZ LYS A 77 4.054 5.185 20.082 1.00 0.00 N ATOM 0 H LYS A 77 2.559 1.943 14.841 1.00 0.00 H new ATOM 0 HA LYS A 77 5.036 3.390 15.310 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.005 2.431 16.913 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.179 1.140 17.075 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.552 2.718 18.870 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.908 2.827 17.766 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.155 4.916 16.856 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.543 4.722 17.515 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.000 5.009 19.290 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.099 6.395 18.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.371 5.754 20.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.113 5.509 19.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.003 4.184 20.360 1.00 0.00 H new ATOM 1202 N ARG A 78 5.181 0.417 14.085 1.00 0.00 N ATOM 1203 CA ARG A 78 6.123 -0.610 13.619 1.00 0.00 C ATOM 1204 C ARG A 78 7.310 0.055 12.923 1.00 0.00 C ATOM 1205 O ARG A 78 7.111 1.003 12.160 1.00 0.00 O ATOM 1206 CB ARG A 78 5.456 -1.609 12.663 1.00 0.00 C ATOM 1207 CG ARG A 78 4.234 -2.334 13.233 1.00 0.00 C ATOM 1208 CD ARG A 78 4.539 -3.226 14.433 1.00 0.00 C ATOM 1209 NE ARG A 78 3.293 -3.792 14.970 1.00 0.00 N ATOM 1210 CZ ARG A 78 3.188 -4.884 15.730 1.00 0.00 C ATOM 1211 NH1 ARG A 78 4.276 -5.520 16.151 1.00 0.00 N ATOM 1212 NH2 ARG A 78 1.982 -5.327 16.056 1.00 0.00 N ATOM 0 H ARG A 78 4.240 0.328 13.701 1.00 0.00 H new ATOM 0 HA ARG A 78 6.466 -1.165 14.492 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.156 -1.079 11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.195 -2.353 12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.490 -1.593 13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.787 -2.942 12.447 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.215 -4.029 14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.048 -2.649 15.205 1.00 0.00 H new ATOM 0 HE ARG A 78 2.427 -3.304 14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.200 -5.174 15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.187 -6.354 16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.152 -4.835 15.727 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.884 -6.160 16.636 1.00 0.00 H new ATOM 1226 N LYS A 79 8.524 -0.433 13.169 1.00 0.00 N ATOM 1227 CA LYS A 79 9.732 0.046 12.503 1.00 0.00 C ATOM 1228 C LYS A 79 9.678 -0.329 11.020 1.00 0.00 C ATOM 1229 O LYS A 79 8.957 -1.261 10.652 1.00 0.00 O ATOM 1230 CB LYS A 79 10.962 -0.520 13.236 1.00 0.00 C ATOM 1231 CG LYS A 79 11.975 0.572 13.614 1.00 0.00 C ATOM 1232 CD LYS A 79 12.785 0.142 14.844 1.00 0.00 C ATOM 1233 CE LYS A 79 13.920 1.101 15.218 1.00 0.00 C ATOM 1234 NZ LYS A 79 13.467 2.497 15.388 1.00 0.00 N ATOM 0 H LYS A 79 8.698 -1.179 13.843 1.00 0.00 H new ATOM 0 HA LYS A 79 9.806 1.133 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.637 -1.038 14.138 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.450 -1.260 12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.646 0.761 12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.453 1.506 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.110 0.048 15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.206 -0.846 14.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.385 0.761 16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 79 14.687 1.066 14.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.268 3.088 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.094 2.854 14.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.719 2.534 16.110 1.00 0.00 H new ATOM 1248 N GLY A 80 10.372 0.414 10.160 1.00 0.00 N ATOM 1249 CA GLY A 80 10.258 0.317 8.705 1.00 0.00 C ATOM 1250 C GLY A 80 8.976 0.957 8.171 1.00 0.00 C ATOM 1251 O GLY A 80 9.002 1.527 7.087 1.00 0.00 O ATOM 0 H GLY A 80 11.046 1.118 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.120 0.800 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.285 -0.732 8.411 1.00 0.00 H new ATOM 1255 N PHE A 81 7.864 0.942 8.913 1.00 0.00 N ATOM 1256 CA PHE A 81 6.571 1.426 8.425 1.00 0.00 C ATOM 1257 C PHE A 81 6.610 2.914 8.030 1.00 0.00 C ATOM 1258 O PHE A 81 5.789 3.366 7.234 1.00 0.00 O ATOM 1259 CB PHE A 81 5.514 1.194 9.514 1.00 0.00 C ATOM 1260 CG PHE A 81 4.074 1.154 9.028 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.367 2.340 8.776 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.423 -0.075 8.824 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.055 2.310 8.285 1.00 0.00 C ATOM 1264 CE2 PHE A 81 2.102 -0.114 8.342 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.425 1.083 8.055 1.00 0.00 C ATOM 0 H PHE A 81 7.836 0.593 9.871 1.00 0.00 H new ATOM 0 HA PHE A 81 6.319 0.870 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.736 0.253 10.017 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.606 1.984 10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.842 3.292 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.942 -0.998 9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.531 3.233 8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.609 -1.063 8.193 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.421 1.056 7.658 1.00 0.00 H new ATOM 1275 N ASN A 82 7.510 3.706 8.618 1.00 0.00 N ATOM 1276 CA ASN A 82 7.647 5.130 8.310 1.00 0.00 C ATOM 1277 C ASN A 82 8.312 5.300 6.957 1.00 0.00 C ATOM 1278 O ASN A 82 7.789 6.001 6.099 1.00 0.00 O ATOM 1279 CB ASN A 82 8.473 5.829 9.409 1.00 0.00 C ATOM 1280 CG ASN A 82 7.782 7.025 10.039 1.00 0.00 C ATOM 1281 OD1 ASN A 82 8.073 8.180 9.747 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.864 6.767 10.956 1.00 0.00 N ATOM 0 H ASN A 82 8.167 3.375 9.325 1.00 0.00 H new ATOM 0 HA ASN A 82 6.659 5.588 8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.705 5.105 10.190 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.422 6.154 8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.388 7.534 11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.633 5.801 11.188 1.00 0.00 H new ATOM 1289 N GLU A 83 9.432 4.606 6.773 1.00 0.00 N ATOM 1290 CA GLU A 83 10.185 4.547 5.531 1.00 0.00 C ATOM 1291 C GLU A 83 9.249 4.083 4.416 1.00 0.00 C ATOM 1292 O GLU A 83 9.118 4.755 3.397 1.00 0.00 O ATOM 1293 CB GLU A 83 11.399 3.616 5.733 1.00 0.00 C ATOM 1294 CG GLU A 83 12.249 4.061 6.937 1.00 0.00 C ATOM 1295 CD GLU A 83 13.749 3.876 6.702 1.00 0.00 C ATOM 1296 OE1 GLU A 83 14.367 4.777 6.085 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.326 2.894 7.217 1.00 0.00 O ATOM 0 H GLU A 83 9.853 4.049 7.516 1.00 0.00 H new ATOM 0 HA GLU A 83 10.573 5.524 5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.055 2.593 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.013 3.614 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.046 5.110 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.951 3.492 7.817 1.00 0.00 H new ATOM 1304 N GLY A 84 8.488 3.015 4.667 1.00 0.00 N ATOM 1305 CA GLY A 84 7.594 2.459 3.676 1.00 0.00 C ATOM 1306 C GLY A 84 6.431 3.382 3.322 1.00 0.00 C ATOM 1307 O GLY A 84 6.012 3.396 2.163 1.00 0.00 O ATOM 0 H GLY A 84 8.481 2.522 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.160 2.237 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.198 1.513 4.045 1.00 0.00 H new ATOM 1311 N LEU A 85 5.890 4.162 4.273 1.00 0.00 N ATOM 1312 CA LEU A 85 4.900 5.174 3.934 1.00 0.00 C ATOM 1313 C LEU A 85 5.511 6.321 3.124 1.00 0.00 C ATOM 1314 O LEU A 85 4.754 7.062 2.503 1.00 0.00 O ATOM 1315 CB LEU A 85 4.230 5.769 5.183 1.00 0.00 C ATOM 1316 CG LEU A 85 3.091 4.965 5.841 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.401 5.904 6.814 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.033 4.410 4.876 1.00 0.00 C ATOM 0 H LEU A 85 6.123 4.106 5.265 1.00 0.00 H new ATOM 0 HA LEU A 85 4.150 4.660 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.004 5.929 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.837 6.750 4.917 1.00 0.00 H new ATOM 0 HG LEU A 85 3.545 4.090 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.583 5.379 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.118 6.244 7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.006 6.764 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.278 3.862 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.560 5.234 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.509 3.740 4.160 1.00 0.00 H new ATOM 1330 N TRP A 86 6.826 6.545 3.143 1.00 0.00 N ATOM 1331 CA TRP A 86 7.441 7.560 2.298 1.00 0.00 C ATOM 1332 C TRP A 86 7.701 7.002 0.904 1.00 0.00 C ATOM 1333 O TRP A 86 7.398 7.672 -0.082 1.00 0.00 O ATOM 1334 CB TRP A 86 8.713 8.097 2.941 1.00 0.00 C ATOM 1335 CG TRP A 86 9.179 9.375 2.327 1.00 0.00 C ATOM 1336 CD1 TRP A 86 8.848 10.621 2.729 1.00 0.00 C ATOM 1337 CD2 TRP A 86 9.999 9.543 1.141 1.00 0.00 C ATOM 1338 NE1 TRP A 86 9.418 11.545 1.875 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.132 10.932 0.868 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.607 8.641 0.253 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 10.839 11.407 -0.244 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.310 9.099 -0.878 1.00 0.00 C ATOM 1343 CH2 TRP A 86 11.422 10.482 -1.125 1.00 0.00 C ATOM 0 H TRP A 86 7.482 6.036 3.735 1.00 0.00 H new ATOM 0 HA TRP A 86 6.752 8.398 2.195 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.538 8.254 4.005 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.501 7.349 2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.233 10.858 3.585 1.00 0.00 H new ATOM 0 HE1 TRP A 86 9.322 12.555 1.977 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.534 7.580 0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 10.934 12.468 -0.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.763 8.391 -1.556 1.00 0.00 H new ATOM 0 HH2 TRP A 86 11.958 10.832 -1.995 1.00 0.00 H new ATOM 1354 N GLU A 87 8.197 5.766 0.810 1.00 0.00 N ATOM 1355 CA GLU A 87 8.413 5.092 -0.462 1.00 0.00 C ATOM 1356 C GLU A 87 7.110 5.070 -1.268 1.00 0.00 C ATOM 1357 O GLU A 87 7.098 5.485 -2.427 1.00 0.00 O ATOM 1358 CB GLU A 87 8.963 3.674 -0.223 1.00 0.00 C ATOM 1359 CG GLU A 87 10.445 3.691 0.183 1.00 0.00 C ATOM 1360 CD GLU A 87 11.027 2.311 0.509 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.448 1.534 1.297 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.105 1.986 -0.064 1.00 0.00 O ATOM 0 H GLU A 87 8.460 5.206 1.621 1.00 0.00 H new ATOM 0 HA GLU A 87 9.155 5.638 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.379 3.186 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.842 3.081 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.026 4.135 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.564 4.337 1.053 1.00 0.00 H new ATOM 1369 N ILE A 88 5.994 4.644 -0.666 1.00 0.00 N ATOM 1370 CA ILE A 88 4.728 4.530 -1.390 1.00 0.00 C ATOM 1371 C ILE A 88 4.197 5.907 -1.844 1.00 0.00 C ATOM 1372 O ILE A 88 3.599 6.015 -2.916 1.00 0.00 O ATOM 1373 CB ILE A 88 3.724 3.723 -0.533 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.636 3.085 -1.414 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.106 4.560 0.599 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.910 1.921 -0.733 1.00 0.00 C ATOM 0 H ILE A 88 5.944 4.374 0.316 1.00 0.00 H new ATOM 0 HA ILE A 88 4.885 3.979 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 88 4.289 2.923 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.907 3.848 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.090 2.730 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.410 3.944 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.896 4.919 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.574 5.411 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.156 1.517 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.629 1.141 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.428 2.276 0.178 1.00 0.00 H new ATOM 1388 N GLU A 89 4.464 6.973 -1.080 1.00 0.00 N ATOM 1389 CA GLU A 89 4.091 8.350 -1.413 1.00 0.00 C ATOM 1390 C GLU A 89 4.867 8.871 -2.625 1.00 0.00 C ATOM 1391 O GLU A 89 4.407 9.805 -3.292 1.00 0.00 O ATOM 1392 CB GLU A 89 4.372 9.269 -0.209 1.00 0.00 C ATOM 1393 CG GLU A 89 3.254 9.247 0.834 1.00 0.00 C ATOM 1394 CD GLU A 89 2.179 10.282 0.525 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.383 10.112 -0.426 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.064 11.269 1.285 1.00 0.00 O ATOM 0 H GLU A 89 4.958 6.898 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 89 3.029 8.353 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.307 8.965 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.511 10.290 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.805 8.254 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.673 9.440 1.822 1.00 0.00 H new ATOM 1403 N ASN A 90 6.020 8.274 -2.941 1.00 0.00 N ATOM 1404 CA ASN A 90 6.972 8.817 -3.904 1.00 0.00 C ATOM 1405 C ASN A 90 7.156 7.896 -5.112 1.00 0.00 C ATOM 1406 O ASN A 90 7.612 8.357 -6.162 1.00 0.00 O ATOM 1407 CB ASN A 90 8.286 9.154 -3.178 1.00 0.00 C ATOM 1408 CG ASN A 90 8.106 10.437 -2.371 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.240 11.535 -2.902 1.00 0.00 O ATOM 1410 ND2 ASN A 90 7.730 10.346 -1.108 1.00 0.00 N ATOM 0 H ASN A 90 6.318 7.390 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 90 6.578 9.742 -4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.571 8.334 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.093 9.276 -3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.549 11.192 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.621 9.430 -0.673 1.00 0.00 H new ATOM 1417 N SER A 91 6.750 6.624 -5.015 1.00 0.00 N ATOM 1418 CA SER A 91 6.807 5.637 -6.091 1.00 0.00 C ATOM 1419 C SER A 91 5.867 6.011 -7.244 1.00 0.00 C ATOM 1420 O SER A 91 6.298 6.047 -8.397 1.00 0.00 O ATOM 1421 CB SER A 91 6.461 4.239 -5.531 1.00 0.00 C ATOM 1422 OG SER A 91 7.226 3.206 -6.132 1.00 0.00 O ATOM 0 H SER A 91 6.359 6.244 -4.153 1.00 0.00 H new ATOM 0 HA SER A 91 7.820 5.620 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.629 4.231 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.401 4.040 -5.689 1.00 0.00 H new ATOM 0 HG SER A 91 6.972 2.343 -5.744 1.00 0.00 H new ATOM 1428 N GLY A 92 4.588 6.260 -6.953 1.00 0.00 N ATOM 1429 CA GLY A 92 3.551 6.301 -7.962 1.00 0.00 C ATOM 1430 C GLY A 92 3.355 7.692 -8.567 1.00 0.00 C ATOM 1431 O GLY A 92 3.970 8.670 -8.131 1.00 0.00 O ATOM 0 H GLY A 92 4.252 6.438 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.798 5.597 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.611 5.967 -7.522 1.00 0.00 H new ATOM 1435 N PRO A 93 2.489 7.791 -9.585 1.00 0.00 N ATOM 1436 CA PRO A 93 2.184 9.026 -10.287 1.00 0.00 C ATOM 1437 C PRO A 93 1.181 9.864 -9.485 1.00 0.00 C ATOM 1438 O PRO A 93 -0.035 9.818 -9.726 1.00 0.00 O ATOM 1439 CB PRO A 93 1.651 8.561 -11.640 1.00 0.00 C ATOM 1440 CG PRO A 93 0.956 7.234 -11.329 1.00 0.00 C ATOM 1441 CD PRO A 93 1.758 6.672 -10.157 1.00 0.00 C ATOM 0 HA PRO A 93 3.043 9.684 -10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.956 9.285 -12.065 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.457 8.430 -12.362 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.091 7.383 -11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.975 6.561 -12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.098 6.220 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.442 5.892 -10.493 1.00 0.00 H new ATOM 1449 N SER A 94 1.683 10.601 -8.497 1.00 0.00 N ATOM 1450 CA SER A 94 0.912 11.507 -7.669 1.00 0.00 C ATOM 1451 C SER A 94 1.799 12.676 -7.282 1.00 0.00 C ATOM 1452 O SER A 94 2.724 12.507 -6.486 1.00 0.00 O ATOM 1453 CB SER A 94 0.382 10.778 -6.436 1.00 0.00 C ATOM 1454 OG SER A 94 -0.744 10.011 -6.816 1.00 0.00 O ATOM 0 H SER A 94 2.672 10.579 -8.247 1.00 0.00 H new ATOM 0 HA SER A 94 0.049 11.880 -8.220 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.154 10.134 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.108 11.494 -5.661 1.00 0.00 H new ATOM 0 HG SER A 94 -0.723 9.856 -7.784 1.00 0.00 H new ATOM 1460 N SER A 95 1.495 13.842 -7.857 1.00 0.00 N ATOM 1461 CA SER A 95 2.187 15.100 -7.627 1.00 0.00 C ATOM 1462 C SER A 95 2.288 15.339 -6.124 1.00 0.00 C ATOM 1463 O SER A 95 1.273 15.560 -5.454 1.00 0.00 O ATOM 1464 CB SER A 95 1.440 16.219 -8.363 1.00 0.00 C ATOM 1465 OG SER A 95 2.218 17.393 -8.524 1.00 0.00 O ATOM 0 H SER A 95 0.727 13.933 -8.522 1.00 0.00 H new ATOM 0 HA SER A 95 3.203 15.076 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.131 15.858 -9.344 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.532 16.465 -7.813 1.00 0.00 H new ATOM 0 HG SER A 95 1.693 18.070 -9.000 1.00 0.00 H new ATOM 1471 N GLY A 96 3.505 15.259 -5.608 1.00 0.00 N ATOM 1472 CA GLY A 96 3.889 15.400 -4.220 1.00 0.00 C ATOM 1473 C GLY A 96 5.326 14.944 -4.101 1.00 0.00 C ATOM 1474 O GLY A 96 5.710 14.565 -2.971 1.00 0.00 O ATOM 0 H GLY A 96 4.314 15.079 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.787 16.436 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.242 14.801 -3.580 1.00 0.00 H new TER 1478 GLY A 96