USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 5 THR OG1 : rot -140:sc=-0.00807 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -163:sc= -3.12! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= -0.0044 (180deg=-0.121) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 22 SER OG : rot 180:sc= 0.629 USER MOD Single : A 29 TYR OH : rot 19:sc= 0.4 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -5.1! C(o=-5.1!,f=-13!) USER MOD Single : A 34 SER OG : rot 66:sc= 0.31 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 0.0879 (180deg=0.016) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.32) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00246) USER MOD Single : A 77 LYS NZ :NH3+ 143:sc= -0.54 (180deg=-2.2!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -10.852 -0.458 -19.544 1.00 0.00 N ATOM 44 CA VAL A 4 -10.932 -0.346 -18.061 1.00 0.00 C ATOM 45 C VAL A 4 -10.508 1.061 -17.633 1.00 0.00 C ATOM 46 O VAL A 4 -10.176 1.896 -18.451 1.00 0.00 O ATOM 47 CB VAL A 4 -10.000 -1.376 -17.421 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.759 -2.686 -17.200 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.808 -1.630 -18.347 1.00 0.00 C ATOM 0 HA VAL A 4 -11.956 -0.532 -17.737 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.644 -0.996 -16.463 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.094 -3.419 -16.744 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.609 -2.507 -16.541 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.116 -3.066 -18.157 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.143 -2.364 -17.891 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.165 -2.009 -19.304 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.265 -0.698 -18.505 1.00 0.00 H new ATOM 59 N THR A 5 -10.517 1.330 -16.356 1.00 0.00 N ATOM 60 CA THR A 5 -10.115 2.683 -15.878 1.00 0.00 C ATOM 61 C THR A 5 -8.625 2.677 -15.526 1.00 0.00 C ATOM 62 O THR A 5 -8.116 1.734 -14.954 1.00 0.00 O ATOM 63 CB THR A 5 -10.931 3.048 -14.634 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.312 2.853 -14.904 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.680 4.511 -14.269 1.00 0.00 C ATOM 0 H THR A 5 -10.785 0.672 -15.624 1.00 0.00 H new ATOM 0 HA THR A 5 -10.301 3.416 -16.663 1.00 0.00 H new ATOM 0 HB THR A 5 -10.630 2.413 -13.801 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.830 3.580 -14.500 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.261 4.770 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.620 4.658 -14.063 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.980 5.150 -15.100 1.00 0.00 H new ATOM 73 N LYS A 6 -7.922 3.722 -15.866 1.00 0.00 N ATOM 74 CA LYS A 6 -6.466 3.775 -15.551 1.00 0.00 C ATOM 75 C LYS A 6 -6.235 4.714 -14.365 1.00 0.00 C ATOM 76 O LYS A 6 -6.479 5.901 -14.445 1.00 0.00 O ATOM 77 CB LYS A 6 -5.700 4.292 -16.770 1.00 0.00 C ATOM 78 CG LYS A 6 -4.408 3.492 -16.940 1.00 0.00 C ATOM 79 CD LYS A 6 -3.648 3.998 -18.168 1.00 0.00 C ATOM 80 CE LYS A 6 -3.649 2.919 -19.253 1.00 0.00 C ATOM 81 NZ LYS A 6 -5.011 2.817 -19.850 1.00 0.00 N ATOM 0 H LYS A 6 -8.292 4.541 -16.348 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.112 2.776 -15.297 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.316 4.202 -17.665 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.471 5.350 -16.646 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.787 3.591 -16.049 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.637 2.432 -17.053 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.113 4.909 -18.546 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.624 4.253 -17.895 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.919 3.163 -20.025 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.354 1.960 -18.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.013 2.084 -20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.697 2.565 -19.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.275 3.731 -20.270 1.00 0.00 H new ATOM 95 N TYR A 7 -5.762 4.191 -13.267 1.00 0.00 N ATOM 96 CA TYR A 7 -5.515 5.054 -12.078 1.00 0.00 C ATOM 97 C TYR A 7 -4.048 5.490 -12.060 1.00 0.00 C ATOM 98 O TYR A 7 -3.156 4.710 -12.325 1.00 0.00 O ATOM 99 CB TYR A 7 -5.829 4.269 -10.803 1.00 0.00 C ATOM 100 CG TYR A 7 -7.147 4.737 -10.234 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.231 4.978 -11.086 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.284 4.931 -8.855 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.453 5.413 -10.559 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.507 5.366 -8.327 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.591 5.606 -9.179 1.00 0.00 C ATOM 106 OH TYR A 7 -10.795 6.034 -8.660 1.00 0.00 O ATOM 0 H TYR A 7 -5.536 3.204 -13.142 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.156 5.934 -12.129 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.874 3.202 -11.022 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.034 4.411 -10.071 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.125 4.828 -12.150 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.447 4.746 -8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.289 5.600 -11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.613 5.516 -7.263 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.657 6.375 -7.752 1.00 0.00 H new ATOM 116 N PHE A 8 -3.792 6.731 -11.749 1.00 0.00 N ATOM 117 CA PHE A 8 -2.383 7.214 -11.714 1.00 0.00 C ATOM 118 C PHE A 8 -2.015 7.611 -10.283 1.00 0.00 C ATOM 119 O PHE A 8 -2.854 8.022 -9.506 1.00 0.00 O ATOM 120 CB PHE A 8 -2.238 8.429 -12.633 1.00 0.00 C ATOM 121 CG PHE A 8 -2.656 8.053 -14.035 1.00 0.00 C ATOM 122 CD1 PHE A 8 -4.014 7.936 -14.353 1.00 0.00 C ATOM 123 CD2 PHE A 8 -1.685 7.821 -15.016 1.00 0.00 C ATOM 124 CE1 PHE A 8 -4.401 7.587 -15.651 1.00 0.00 C ATOM 125 CE2 PHE A 8 -2.072 7.473 -16.316 1.00 0.00 C ATOM 126 CZ PHE A 8 -3.430 7.356 -16.634 1.00 0.00 C ATOM 0 H PHE A 8 -4.497 7.431 -11.518 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.718 6.420 -12.053 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.853 9.251 -12.267 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.206 8.778 -12.631 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.763 8.115 -13.596 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.637 7.910 -14.770 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.449 7.496 -15.896 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.323 7.295 -17.073 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.729 7.088 -17.637 1.00 0.00 H new ATOM 136 N TYR A 9 -0.765 7.489 -9.927 1.00 0.00 N ATOM 137 CA TYR A 9 -0.345 7.859 -8.546 1.00 0.00 C ATOM 138 C TYR A 9 1.004 8.581 -8.600 1.00 0.00 C ATOM 139 O TYR A 9 1.973 8.067 -9.121 1.00 0.00 O ATOM 140 CB TYR A 9 -0.211 6.592 -7.698 1.00 0.00 C ATOM 141 CG TYR A 9 0.233 6.963 -6.304 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.615 7.705 -5.473 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.494 6.566 -5.841 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.203 8.050 -4.180 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.906 6.910 -4.548 1.00 0.00 C ATOM 146 CZ TYR A 9 1.058 7.652 -3.718 1.00 0.00 C ATOM 147 OH TYR A 9 1.464 7.992 -2.443 1.00 0.00 O ATOM 0 H TYR A 9 -0.017 7.149 -10.532 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.092 8.517 -8.102 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.164 6.065 -7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.510 5.913 -8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.587 8.011 -5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.149 5.994 -6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.857 8.623 -3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.878 6.603 -4.191 1.00 0.00 H new ATOM 0 HH TYR A 9 2.363 7.637 -2.281 1.00 0.00 H new ATOM 157 N LYS A 10 1.073 9.770 -8.066 1.00 0.00 N ATOM 158 CA LYS A 10 2.358 10.523 -8.087 1.00 0.00 C ATOM 159 C LYS A 10 3.037 10.412 -6.721 1.00 0.00 C ATOM 160 O LYS A 10 2.693 11.110 -5.787 1.00 0.00 O ATOM 161 CB LYS A 10 2.081 11.994 -8.401 1.00 0.00 C ATOM 162 CG LYS A 10 3.287 12.598 -9.126 1.00 0.00 C ATOM 163 CD LYS A 10 3.135 14.118 -9.193 1.00 0.00 C ATOM 164 CE LYS A 10 4.490 14.780 -8.936 1.00 0.00 C ATOM 165 NZ LYS A 10 4.826 14.676 -7.488 1.00 0.00 N ATOM 0 H LYS A 10 0.295 10.252 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 10 3.012 10.105 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.189 12.083 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.885 12.543 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.207 12.337 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.364 12.185 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.754 14.413 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.408 14.454 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.262 14.297 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.459 15.827 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.542 15.390 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.970 14.838 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.201 13.727 -7.286 1.00 0.00 H new ATOM 179 N GLY A 11 3.999 9.539 -6.595 1.00 0.00 N ATOM 180 CA GLY A 11 4.698 9.384 -5.289 1.00 0.00 C ATOM 181 C GLY A 11 5.489 10.656 -4.978 1.00 0.00 C ATOM 182 O GLY A 11 5.095 11.747 -5.339 1.00 0.00 O ATOM 0 H GLY A 11 4.331 8.927 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.974 9.191 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.369 8.525 -5.323 1.00 0.00 H new ATOM 186 N GLU A 12 6.603 10.526 -4.310 1.00 0.00 N ATOM 187 CA GLU A 12 7.417 11.728 -3.976 1.00 0.00 C ATOM 188 C GLU A 12 8.534 11.890 -5.008 1.00 0.00 C ATOM 189 O GLU A 12 8.809 12.978 -5.474 1.00 0.00 O ATOM 190 CB GLU A 12 8.029 11.559 -2.584 1.00 0.00 C ATOM 191 CG GLU A 12 6.977 10.993 -1.628 1.00 0.00 C ATOM 192 CD GLU A 12 7.575 10.871 -0.225 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.775 10.670 -0.130 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.823 10.981 0.730 1.00 0.00 O ATOM 0 H GLU A 12 6.984 9.639 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 12 6.780 12.613 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.889 10.891 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.391 12.519 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.102 11.643 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.640 10.017 -1.977 1.00 0.00 H new ATOM 201 N ASN A 13 9.181 10.816 -5.370 1.00 0.00 N ATOM 202 CA ASN A 13 10.280 10.910 -6.372 1.00 0.00 C ATOM 203 C ASN A 13 10.086 9.837 -7.445 1.00 0.00 C ATOM 204 O ASN A 13 10.830 9.761 -8.402 1.00 0.00 O ATOM 205 CB ASN A 13 11.625 10.696 -5.675 1.00 0.00 C ATOM 206 CG ASN A 13 12.644 11.703 -6.212 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.873 12.734 -5.611 1.00 0.00 O ATOM 208 ND2 ASN A 13 13.273 11.446 -7.326 1.00 0.00 N ATOM 0 H ASN A 13 8.996 9.878 -5.015 1.00 0.00 H new ATOM 0 HA ASN A 13 10.264 11.896 -6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.512 10.817 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.978 9.679 -5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.956 12.110 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.082 10.581 -7.832 1.00 0.00 H new ATOM 215 N THR A 14 9.090 9.007 -7.295 1.00 0.00 N ATOM 216 CA THR A 14 8.851 7.941 -8.307 1.00 0.00 C ATOM 217 C THR A 14 7.374 7.937 -8.705 1.00 0.00 C ATOM 218 O THR A 14 6.525 8.422 -7.983 1.00 0.00 O ATOM 219 CB THR A 14 9.222 6.579 -7.712 1.00 0.00 C ATOM 220 OG1 THR A 14 10.023 6.774 -6.555 1.00 0.00 O ATOM 221 CG2 THR A 14 10.001 5.764 -8.744 1.00 0.00 C ATOM 0 H THR A 14 8.432 9.022 -6.516 1.00 0.00 H new ATOM 0 HA THR A 14 9.464 8.133 -9.187 1.00 0.00 H new ATOM 0 HB THR A 14 8.314 6.041 -7.440 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.446 6.966 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.264 4.795 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.385 5.616 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.910 6.299 -9.019 1.00 0.00 H new ATOM 229 N ASP A 15 7.059 7.393 -9.849 1.00 0.00 N ATOM 230 CA ASP A 15 5.636 7.360 -10.291 1.00 0.00 C ATOM 231 C ASP A 15 5.194 5.906 -10.475 1.00 0.00 C ATOM 232 O ASP A 15 5.959 5.063 -10.900 1.00 0.00 O ATOM 233 CB ASP A 15 5.496 8.107 -11.618 1.00 0.00 C ATOM 234 CG ASP A 15 4.073 7.936 -12.154 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.823 6.934 -12.804 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.258 8.808 -11.904 1.00 0.00 O ATOM 0 H ASP A 15 7.725 6.970 -10.496 1.00 0.00 H new ATOM 0 HA ASP A 15 5.010 7.839 -9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.718 9.165 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.216 7.724 -12.341 1.00 0.00 H new ATOM 241 N LEU A 16 3.964 5.605 -10.159 1.00 0.00 N ATOM 242 CA LEU A 16 3.475 4.206 -10.317 1.00 0.00 C ATOM 243 C LEU A 16 2.096 4.220 -10.978 1.00 0.00 C ATOM 244 O LEU A 16 1.410 5.222 -10.985 1.00 0.00 O ATOM 245 CB LEU A 16 3.376 3.544 -8.941 1.00 0.00 C ATOM 246 CG LEU A 16 4.771 3.431 -8.325 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.654 2.953 -6.877 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.602 2.428 -9.127 1.00 0.00 C ATOM 0 H LEU A 16 3.277 6.267 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 16 4.170 3.645 -10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.726 4.130 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.927 2.555 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 16 5.257 4.406 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.649 2.873 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.062 3.667 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.168 1.978 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.597 2.347 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.115 1.453 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.687 2.769 -10.159 1.00 0.00 H new ATOM 260 N ILE A 17 1.686 3.114 -11.536 1.00 0.00 N ATOM 261 CA ILE A 17 0.350 3.064 -12.198 1.00 0.00 C ATOM 262 C ILE A 17 -0.313 1.717 -11.903 1.00 0.00 C ATOM 263 O ILE A 17 0.328 0.685 -11.900 1.00 0.00 O ATOM 264 CB ILE A 17 0.524 3.228 -13.709 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.090 4.618 -14.006 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.832 3.074 -14.398 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.410 4.731 -15.498 1.00 0.00 C ATOM 0 H ILE A 17 2.217 2.243 -11.563 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.277 3.869 -11.816 1.00 0.00 H new ATOM 0 HB ILE A 17 1.209 2.467 -14.082 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.370 5.384 -13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.990 4.789 -13.416 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.708 3.191 -15.475 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.238 2.085 -14.185 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.517 3.836 -14.027 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.813 5.721 -15.710 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.145 3.974 -15.771 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.500 4.578 -16.078 1.00 0.00 H new ATOM 279 N VAL A 18 -1.595 1.719 -11.656 1.00 0.00 N ATOM 280 CA VAL A 18 -2.299 0.439 -11.363 1.00 0.00 C ATOM 281 C VAL A 18 -3.534 0.317 -12.256 1.00 0.00 C ATOM 282 O VAL A 18 -4.061 1.300 -12.739 1.00 0.00 O ATOM 283 CB VAL A 18 -2.728 0.419 -9.894 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.596 -0.154 -9.038 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.042 1.844 -9.437 1.00 0.00 C ATOM 0 H VAL A 18 -2.184 2.551 -11.645 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.627 -0.397 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.616 -0.203 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.902 -0.168 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.372 -1.170 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.707 0.467 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.348 1.832 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.154 2.466 -9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.849 2.252 -10.046 1.00 0.00 H new ATOM 295 N PHE A 19 -4.001 -0.880 -12.480 1.00 0.00 N ATOM 296 CA PHE A 19 -5.202 -1.063 -13.342 1.00 0.00 C ATOM 297 C PHE A 19 -6.457 -1.092 -12.467 1.00 0.00 C ATOM 298 O PHE A 19 -6.405 -1.437 -11.302 1.00 0.00 O ATOM 299 CB PHE A 19 -5.083 -2.382 -14.109 1.00 0.00 C ATOM 300 CG PHE A 19 -4.192 -2.187 -15.312 1.00 0.00 C ATOM 301 CD1 PHE A 19 -2.914 -1.635 -15.153 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.641 -2.559 -16.584 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.087 -1.455 -16.269 1.00 0.00 C ATOM 304 CE2 PHE A 19 -3.814 -2.379 -17.698 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.537 -1.826 -17.542 1.00 0.00 C ATOM 0 H PHE A 19 -3.602 -1.740 -12.103 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.272 -0.237 -14.050 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.672 -3.156 -13.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.069 -2.721 -14.425 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.567 -1.349 -14.171 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.626 -2.985 -16.706 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.102 -1.030 -16.148 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.161 -2.667 -18.679 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.900 -1.686 -18.403 1.00 0.00 H new ATOM 315 N ALA A 20 -7.584 -0.734 -13.018 1.00 0.00 N ATOM 316 CA ALA A 20 -8.840 -0.744 -12.216 1.00 0.00 C ATOM 317 C ALA A 20 -9.973 -1.349 -13.048 1.00 0.00 C ATOM 318 O ALA A 20 -9.839 -1.554 -14.238 1.00 0.00 O ATOM 319 CB ALA A 20 -9.206 0.690 -11.825 1.00 0.00 C ATOM 0 H ALA A 20 -7.690 -0.435 -13.988 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.691 -1.341 -11.316 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.125 0.684 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.400 1.123 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.355 1.286 -12.725 1.00 0.00 H new ATOM 325 N ALA A 21 -11.086 -1.639 -12.431 1.00 0.00 N ATOM 326 CA ALA A 21 -12.224 -2.232 -13.188 1.00 0.00 C ATOM 327 C ALA A 21 -13.116 -1.113 -13.727 1.00 0.00 C ATOM 328 O ALA A 21 -13.333 -0.997 -14.917 1.00 0.00 O ATOM 329 CB ALA A 21 -13.040 -3.133 -12.258 1.00 0.00 C ATOM 0 H ALA A 21 -11.256 -1.491 -11.436 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.840 -2.822 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.873 -3.567 -12.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.404 -3.931 -11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.425 -2.544 -11.426 1.00 0.00 H new ATOM 335 N SER A 22 -13.636 -0.287 -12.861 1.00 0.00 N ATOM 336 CA SER A 22 -14.514 0.824 -13.324 1.00 0.00 C ATOM 337 C SER A 22 -14.506 1.948 -12.286 1.00 0.00 C ATOM 338 O SER A 22 -14.366 1.711 -11.102 1.00 0.00 O ATOM 339 CB SER A 22 -15.941 0.305 -13.505 1.00 0.00 C ATOM 340 OG SER A 22 -16.662 0.489 -12.294 1.00 0.00 O ATOM 0 H SER A 22 -13.491 -0.334 -11.852 1.00 0.00 H new ATOM 0 HA SER A 22 -14.144 1.207 -14.275 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.433 0.836 -14.320 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.925 -0.751 -13.776 1.00 0.00 H new ATOM 0 HG SER A 22 -17.578 0.159 -12.405 1.00 0.00 H new ATOM 346 N GLU A 23 -14.657 3.170 -12.719 1.00 0.00 N ATOM 347 CA GLU A 23 -14.659 4.306 -11.756 1.00 0.00 C ATOM 348 C GLU A 23 -15.860 4.177 -10.817 1.00 0.00 C ATOM 349 O GLU A 23 -15.840 4.652 -9.699 1.00 0.00 O ATOM 350 CB GLU A 23 -14.752 5.626 -12.525 1.00 0.00 C ATOM 351 CG GLU A 23 -13.873 6.677 -11.844 1.00 0.00 C ATOM 352 CD GLU A 23 -13.766 7.912 -12.740 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.328 7.764 -13.869 1.00 0.00 O ATOM 354 OE2 GLU A 23 -14.124 8.985 -12.282 1.00 0.00 O ATOM 0 H GLU A 23 -14.779 3.430 -13.698 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.739 4.289 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.431 5.481 -13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.787 5.968 -12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.298 6.951 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.881 6.267 -11.651 1.00 0.00 H new ATOM 361 N GLU A 24 -16.907 3.538 -11.262 1.00 0.00 N ATOM 362 CA GLU A 24 -18.108 3.379 -10.395 1.00 0.00 C ATOM 363 C GLU A 24 -17.787 2.416 -9.250 1.00 0.00 C ATOM 364 O GLU A 24 -18.171 2.633 -8.118 1.00 0.00 O ATOM 365 CB GLU A 24 -19.265 2.818 -11.224 1.00 0.00 C ATOM 366 CG GLU A 24 -19.122 3.276 -12.676 1.00 0.00 C ATOM 367 CD GLU A 24 -20.510 3.416 -13.307 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.380 3.975 -12.658 1.00 0.00 O ATOM 369 OE2 GLU A 24 -20.678 2.962 -14.426 1.00 0.00 O ATOM 0 H GLU A 24 -16.982 3.119 -12.189 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.391 4.349 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.268 1.729 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.217 3.158 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.594 4.229 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.526 2.557 -13.238 1.00 0.00 H new ATOM 376 N LEU A 25 -17.083 1.356 -9.535 1.00 0.00 N ATOM 377 CA LEU A 25 -16.737 0.381 -8.462 1.00 0.00 C ATOM 378 C LEU A 25 -15.721 1.013 -7.508 1.00 0.00 C ATOM 379 O LEU A 25 -15.636 0.655 -6.350 1.00 0.00 O ATOM 380 CB LEU A 25 -16.135 -0.877 -9.090 1.00 0.00 C ATOM 381 CG LEU A 25 -17.250 -1.728 -9.700 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.649 -2.720 -10.697 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.969 -2.497 -8.588 1.00 0.00 C ATOM 0 H LEU A 25 -16.732 1.122 -10.464 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.637 0.114 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.412 -0.602 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.597 -1.451 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.960 -1.081 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.444 -3.326 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.135 -2.174 -11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.939 -3.368 -10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.764 -3.104 -9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.258 -3.144 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.398 -1.791 -7.876 1.00 0.00 H new ATOM 395 N VAL A 26 -14.950 1.951 -7.985 1.00 0.00 N ATOM 396 CA VAL A 26 -13.941 2.605 -7.105 1.00 0.00 C ATOM 397 C VAL A 26 -14.641 3.602 -6.181 1.00 0.00 C ATOM 398 O VAL A 26 -14.611 3.471 -4.973 1.00 0.00 O ATOM 399 CB VAL A 26 -12.914 3.343 -7.966 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.829 3.939 -7.069 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.278 2.361 -8.953 1.00 0.00 C ATOM 0 H VAL A 26 -14.975 2.293 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.436 1.847 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.409 4.143 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.098 4.465 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.282 4.638 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.333 3.140 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.546 2.885 -9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.783 1.561 -8.402 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.051 1.936 -9.593 1.00 0.00 H new ATOM 411 N ASP A 27 -15.275 4.598 -6.737 1.00 0.00 N ATOM 412 CA ASP A 27 -15.977 5.602 -5.889 1.00 0.00 C ATOM 413 C ASP A 27 -16.744 4.880 -4.779 1.00 0.00 C ATOM 414 O ASP A 27 -16.730 5.289 -3.634 1.00 0.00 O ATOM 415 CB ASP A 27 -16.957 6.401 -6.749 1.00 0.00 C ATOM 416 CG ASP A 27 -16.881 7.881 -6.369 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.729 8.163 -5.192 1.00 0.00 O ATOM 418 OD2 ASP A 27 -16.977 8.707 -7.262 1.00 0.00 O ATOM 0 H ASP A 27 -15.337 4.760 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.247 6.280 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.718 6.273 -7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.971 6.029 -6.604 1.00 0.00 H new ATOM 423 N GLU A 28 -17.413 3.809 -5.107 1.00 0.00 N ATOM 424 CA GLU A 28 -18.179 3.062 -4.070 1.00 0.00 C ATOM 425 C GLU A 28 -17.215 2.547 -2.999 1.00 0.00 C ATOM 426 O GLU A 28 -17.465 2.663 -1.816 1.00 0.00 O ATOM 427 CB GLU A 28 -18.900 1.880 -4.720 1.00 0.00 C ATOM 428 CG GLU A 28 -20.407 2.146 -4.735 1.00 0.00 C ATOM 429 CD GLU A 28 -21.146 0.876 -5.162 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.605 0.144 -5.974 1.00 0.00 O ATOM 431 OE2 GLU A 28 -22.240 0.656 -4.668 1.00 0.00 O ATOM 0 H GLU A 28 -17.462 3.419 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.912 3.725 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.536 1.733 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.687 0.963 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.742 2.459 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.636 2.961 -5.422 1.00 0.00 H new ATOM 438 N TYR A 29 -16.113 1.977 -3.405 1.00 0.00 N ATOM 439 CA TYR A 29 -15.134 1.456 -2.411 1.00 0.00 C ATOM 440 C TYR A 29 -14.654 2.603 -1.520 1.00 0.00 C ATOM 441 O TYR A 29 -14.373 2.419 -0.352 1.00 0.00 O ATOM 442 CB TYR A 29 -13.939 0.844 -3.144 1.00 0.00 C ATOM 443 CG TYR A 29 -12.905 0.398 -2.138 1.00 0.00 C ATOM 444 CD1 TYR A 29 -13.089 -0.794 -1.427 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.762 1.175 -1.916 1.00 0.00 C ATOM 446 CE1 TYR A 29 -12.131 -1.208 -0.495 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.804 0.762 -0.983 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.988 -0.430 -0.272 1.00 0.00 C ATOM 449 OH TYR A 29 -10.044 -0.838 0.647 1.00 0.00 O ATOM 0 H TYR A 29 -15.849 1.850 -4.382 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.611 0.693 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -14.264 -0.004 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.505 1.574 -3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.971 -1.394 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.619 2.094 -2.465 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.273 -2.128 0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.923 1.363 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.154 -1.795 0.826 1.00 0.00 H new ATOM 459 N LEU A 30 -14.558 3.787 -2.062 1.00 0.00 N ATOM 460 CA LEU A 30 -14.097 4.945 -1.246 1.00 0.00 C ATOM 461 C LEU A 30 -15.170 5.299 -0.214 1.00 0.00 C ATOM 462 O LEU A 30 -14.873 5.614 0.922 1.00 0.00 O ATOM 463 CB LEU A 30 -13.852 6.148 -2.158 1.00 0.00 C ATOM 464 CG LEU A 30 -12.512 5.977 -2.879 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.353 7.079 -3.927 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.373 6.071 -1.863 1.00 0.00 C ATOM 0 H LEU A 30 -14.779 4.002 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.171 4.683 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.659 6.237 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.847 7.067 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.483 5.004 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.399 6.958 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.166 7.013 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.381 8.053 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.418 5.949 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.401 7.045 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.487 5.286 -1.115 1.00 0.00 H new ATOM 478 N LYS A 31 -16.416 5.248 -0.599 1.00 0.00 N ATOM 479 CA LYS A 31 -17.507 5.580 0.361 1.00 0.00 C ATOM 480 C LYS A 31 -17.444 4.621 1.552 1.00 0.00 C ATOM 481 O LYS A 31 -17.910 4.927 2.632 1.00 0.00 O ATOM 482 CB LYS A 31 -18.861 5.437 -0.338 1.00 0.00 C ATOM 483 CG LYS A 31 -19.958 6.034 0.547 1.00 0.00 C ATOM 484 CD LYS A 31 -20.169 7.504 0.179 1.00 0.00 C ATOM 485 CE LYS A 31 -21.379 8.052 0.935 1.00 0.00 C ATOM 486 NZ LYS A 31 -22.504 8.270 -0.020 1.00 0.00 N ATOM 0 H LYS A 31 -16.726 4.991 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.386 6.605 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.840 5.945 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.071 4.386 -0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.887 5.479 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.680 5.948 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.279 8.083 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.324 7.602 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.681 7.354 1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.120 8.989 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -23.328 8.643 0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -22.213 8.952 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.757 7.367 -0.471 1.00 0.00 H new ATOM 500 N ASN A 32 -16.870 3.465 1.363 1.00 0.00 N ATOM 501 CA ASN A 32 -16.776 2.487 2.484 1.00 0.00 C ATOM 502 C ASN A 32 -15.571 1.571 2.258 1.00 0.00 C ATOM 503 O ASN A 32 -15.704 0.464 1.777 1.00 0.00 O ATOM 504 CB ASN A 32 -18.053 1.647 2.537 1.00 0.00 C ATOM 505 CG ASN A 32 -18.401 1.155 1.131 1.00 0.00 C ATOM 506 OD1 ASN A 32 -18.015 1.760 0.150 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.118 0.074 0.989 1.00 0.00 N ATOM 0 H ASN A 32 -16.462 3.155 0.481 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.656 3.022 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.915 0.798 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.874 2.240 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.354 -0.262 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.442 -0.434 1.812 1.00 0.00 H new ATOM 514 N PRO A 33 -14.403 2.037 2.607 1.00 0.00 N ATOM 515 CA PRO A 33 -13.141 1.259 2.446 1.00 0.00 C ATOM 516 C PRO A 33 -13.277 -0.180 2.952 1.00 0.00 C ATOM 517 O PRO A 33 -13.960 -0.446 3.921 1.00 0.00 O ATOM 518 CB PRO A 33 -12.128 2.030 3.292 1.00 0.00 C ATOM 519 CG PRO A 33 -12.635 3.435 3.335 1.00 0.00 C ATOM 520 CD PRO A 33 -14.158 3.362 3.195 1.00 0.00 C ATOM 0 HA PRO A 33 -12.853 1.168 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.052 1.609 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.132 1.985 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.356 3.918 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.201 4.027 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -14.652 3.467 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.538 4.158 2.555 1.00 0.00 H new ATOM 528 N SER A 34 -12.631 -1.110 2.303 1.00 0.00 N ATOM 529 CA SER A 34 -12.723 -2.530 2.746 1.00 0.00 C ATOM 530 C SER A 34 -11.470 -3.286 2.297 1.00 0.00 C ATOM 531 O SER A 34 -10.509 -2.699 1.842 1.00 0.00 O ATOM 532 CB SER A 34 -13.962 -3.178 2.126 1.00 0.00 C ATOM 533 OG SER A 34 -14.683 -2.200 1.389 1.00 0.00 O ATOM 0 H SER A 34 -12.043 -0.948 1.485 1.00 0.00 H new ATOM 0 HA SER A 34 -12.800 -2.568 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.669 -4.000 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.594 -3.602 2.906 1.00 0.00 H new ATOM 0 HG SER A 34 -14.149 -1.911 0.620 1.00 0.00 H new ATOM 539 N ILE A 35 -11.474 -4.585 2.421 1.00 0.00 N ATOM 540 CA ILE A 35 -10.283 -5.376 2.001 1.00 0.00 C ATOM 541 C ILE A 35 -10.717 -6.471 1.024 1.00 0.00 C ATOM 542 O ILE A 35 -9.918 -7.008 0.283 1.00 0.00 O ATOM 543 CB ILE A 35 -9.636 -6.017 3.231 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.509 -6.951 2.783 1.00 0.00 C ATOM 545 CG2 ILE A 35 -10.687 -6.818 4.003 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.447 -6.147 2.032 1.00 0.00 C ATOM 0 H ILE A 35 -12.250 -5.132 2.795 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.563 -4.718 1.514 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.229 -5.238 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.064 -7.442 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.907 -7.736 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.226 -7.274 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.490 -6.153 4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.095 -7.598 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.645 -6.812 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.897 -5.677 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.041 -5.378 2.689 1.00 0.00 H new ATOM 558 N GLY A 36 -11.979 -6.807 1.017 1.00 0.00 N ATOM 559 CA GLY A 36 -12.462 -7.867 0.088 1.00 0.00 C ATOM 560 C GLY A 36 -12.867 -7.232 -1.244 1.00 0.00 C ATOM 561 O GLY A 36 -12.356 -7.582 -2.290 1.00 0.00 O ATOM 0 H GLY A 36 -12.695 -6.393 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.679 -8.608 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.311 -8.391 0.527 1.00 0.00 H new ATOM 565 N LYS A 37 -13.782 -6.302 -1.215 1.00 0.00 N ATOM 566 CA LYS A 37 -14.218 -5.646 -2.479 1.00 0.00 C ATOM 567 C LYS A 37 -12.989 -5.188 -3.267 1.00 0.00 C ATOM 568 O LYS A 37 -13.029 -5.055 -4.474 1.00 0.00 O ATOM 569 CB LYS A 37 -15.093 -4.434 -2.148 1.00 0.00 C ATOM 570 CG LYS A 37 -15.738 -3.905 -3.430 1.00 0.00 C ATOM 571 CD LYS A 37 -17.087 -3.264 -3.096 1.00 0.00 C ATOM 572 CE LYS A 37 -17.648 -2.577 -4.343 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.501 -3.539 -5.098 1.00 0.00 N ATOM 0 H LYS A 37 -14.246 -5.968 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.790 -6.355 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.863 -4.714 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.491 -3.654 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.083 -3.174 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.876 -4.718 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.784 -4.023 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.968 -2.539 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.232 -1.702 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.833 -2.224 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.151 -3.014 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.898 -4.159 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.050 -4.116 -4.429 1.00 0.00 H new ATOM 587 N LEU A 38 -11.898 -4.945 -2.594 1.00 0.00 N ATOM 588 CA LEU A 38 -10.668 -4.495 -3.305 1.00 0.00 C ATOM 589 C LEU A 38 -10.431 -5.386 -4.525 1.00 0.00 C ATOM 590 O LEU A 38 -9.797 -4.988 -5.483 1.00 0.00 O ATOM 591 CB LEU A 38 -9.468 -4.594 -2.361 1.00 0.00 C ATOM 592 CG LEU A 38 -8.362 -3.653 -2.840 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.729 -2.211 -2.487 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.045 -4.026 -2.156 1.00 0.00 C ATOM 0 H LEU A 38 -11.805 -5.039 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.792 -3.461 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.768 -4.333 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.100 -5.619 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.250 -3.744 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.940 -1.541 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.667 -1.945 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.841 -2.118 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.256 -3.356 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.157 -3.935 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.782 -5.053 -2.408 1.00 0.00 H new ATOM 606 N SER A 39 -10.935 -6.590 -4.500 1.00 0.00 N ATOM 607 CA SER A 39 -10.737 -7.504 -5.660 1.00 0.00 C ATOM 608 C SER A 39 -11.552 -7.000 -6.853 1.00 0.00 C ATOM 609 O SER A 39 -11.011 -6.652 -7.883 1.00 0.00 O ATOM 610 CB SER A 39 -11.202 -8.912 -5.284 1.00 0.00 C ATOM 611 OG SER A 39 -10.233 -9.858 -5.714 1.00 0.00 O ATOM 0 H SER A 39 -11.475 -6.980 -3.727 1.00 0.00 H new ATOM 0 HA SER A 39 -9.680 -7.528 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.344 -8.984 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.165 -9.125 -5.747 1.00 0.00 H new ATOM 0 HG SER A 39 -10.528 -10.761 -5.473 1.00 0.00 H new ATOM 617 N GLU A 40 -12.850 -6.956 -6.720 1.00 0.00 N ATOM 618 CA GLU A 40 -13.697 -6.472 -7.846 1.00 0.00 C ATOM 619 C GLU A 40 -13.149 -5.141 -8.363 1.00 0.00 C ATOM 620 O GLU A 40 -13.120 -4.889 -9.550 1.00 0.00 O ATOM 621 CB GLU A 40 -15.133 -6.279 -7.357 1.00 0.00 C ATOM 622 CG GLU A 40 -16.091 -6.329 -8.549 1.00 0.00 C ATOM 623 CD GLU A 40 -17.523 -6.517 -8.044 1.00 0.00 C ATOM 624 OE1 GLU A 40 -17.994 -5.656 -7.321 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.126 -7.521 -8.391 1.00 0.00 O ATOM 0 H GLU A 40 -13.359 -7.234 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.684 -7.206 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.391 -7.056 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.227 -5.323 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.016 -5.409 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.818 -7.148 -9.215 1.00 0.00 H new ATOM 632 N VAL A 41 -12.714 -4.285 -7.478 1.00 0.00 N ATOM 633 CA VAL A 41 -12.169 -2.970 -7.918 1.00 0.00 C ATOM 634 C VAL A 41 -10.976 -3.199 -8.849 1.00 0.00 C ATOM 635 O VAL A 41 -10.886 -2.618 -9.912 1.00 0.00 O ATOM 636 CB VAL A 41 -11.715 -2.171 -6.696 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.282 -0.770 -7.133 1.00 0.00 C ATOM 638 CG2 VAL A 41 -12.875 -2.058 -5.703 1.00 0.00 C ATOM 0 H VAL A 41 -12.713 -4.440 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 41 -12.943 -2.415 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.876 -2.679 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.958 -0.201 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.458 -0.848 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.121 -0.261 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.553 -1.489 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -13.713 -1.550 -6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.185 -3.055 -5.391 1.00 0.00 H new ATOM 648 N VAL A 42 -10.061 -4.043 -8.459 1.00 0.00 N ATOM 649 CA VAL A 42 -8.875 -4.309 -9.322 1.00 0.00 C ATOM 650 C VAL A 42 -9.022 -5.682 -9.979 1.00 0.00 C ATOM 651 O VAL A 42 -9.274 -6.672 -9.323 1.00 0.00 O ATOM 652 CB VAL A 42 -7.606 -4.285 -8.467 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.378 -4.362 -9.375 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.562 -2.986 -7.659 1.00 0.00 C ATOM 0 H VAL A 42 -10.083 -4.560 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.807 -3.542 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.609 -5.137 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.474 -4.345 -8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.410 -5.286 -9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.374 -3.510 -10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.659 -2.967 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.558 -2.134 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.438 -2.930 -7.012 1.00 0.00 H new ATOM 664 N GLU A 43 -8.866 -5.749 -11.273 1.00 0.00 N ATOM 665 CA GLU A 43 -8.996 -7.060 -11.972 1.00 0.00 C ATOM 666 C GLU A 43 -7.623 -7.729 -12.063 1.00 0.00 C ATOM 667 O GLU A 43 -7.490 -8.827 -12.566 1.00 0.00 O ATOM 668 CB GLU A 43 -9.547 -6.833 -13.381 1.00 0.00 C ATOM 669 CG GLU A 43 -10.967 -6.270 -13.290 1.00 0.00 C ATOM 670 CD GLU A 43 -11.526 -6.064 -14.700 1.00 0.00 C ATOM 671 OE1 GLU A 43 -11.524 -7.016 -15.462 1.00 0.00 O ATOM 672 OE2 GLU A 43 -11.947 -4.957 -14.992 1.00 0.00 O ATOM 0 H GLU A 43 -8.654 -4.954 -11.876 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.677 -7.703 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.905 -6.142 -13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.551 -7.771 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.605 -6.954 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.961 -5.324 -12.748 1.00 0.00 H new ATOM 679 N LEU A 44 -6.601 -7.076 -11.581 1.00 0.00 N ATOM 680 CA LEU A 44 -5.239 -7.676 -11.640 1.00 0.00 C ATOM 681 C LEU A 44 -4.355 -7.042 -10.563 1.00 0.00 C ATOM 682 O LEU A 44 -4.186 -5.841 -10.513 1.00 0.00 O ATOM 683 CB LEU A 44 -4.628 -7.417 -13.019 1.00 0.00 C ATOM 684 CG LEU A 44 -3.361 -8.260 -13.183 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.696 -9.538 -13.953 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.313 -7.457 -13.957 1.00 0.00 C ATOM 0 H LEU A 44 -6.651 -6.153 -11.149 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.307 -8.750 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.347 -7.666 -13.800 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.391 -6.359 -13.130 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.967 -8.521 -12.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.794 -10.139 -14.070 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.444 -10.109 -13.403 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.089 -9.278 -14.936 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.410 -8.056 -14.075 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.707 -7.197 -14.940 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.075 -6.546 -13.409 1.00 0.00 H new ATOM 698 N PHE A 45 -3.788 -7.842 -9.702 1.00 0.00 N ATOM 699 CA PHE A 45 -2.916 -7.285 -8.629 1.00 0.00 C ATOM 700 C PHE A 45 -1.496 -7.109 -9.169 1.00 0.00 C ATOM 701 O PHE A 45 -0.697 -8.025 -9.156 1.00 0.00 O ATOM 702 CB PHE A 45 -2.893 -8.247 -7.440 1.00 0.00 C ATOM 703 CG PHE A 45 -4.027 -7.913 -6.500 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.299 -7.629 -7.012 1.00 0.00 C ATOM 705 CD2 PHE A 45 -3.807 -7.890 -5.119 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.350 -7.319 -6.140 1.00 0.00 C ATOM 707 CE2 PHE A 45 -4.858 -7.581 -4.247 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.130 -7.296 -4.758 1.00 0.00 C ATOM 0 H PHE A 45 -3.891 -8.857 -9.695 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.306 -6.319 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.987 -9.275 -7.789 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.939 -8.173 -6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.469 -7.649 -8.078 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.826 -8.111 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.331 -7.098 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.688 -7.563 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.941 -7.058 -4.086 1.00 0.00 H new ATOM 718 N GLU A 46 -1.172 -5.937 -9.645 1.00 0.00 N ATOM 719 CA GLU A 46 0.197 -5.704 -10.184 1.00 0.00 C ATOM 720 C GLU A 46 0.407 -4.206 -10.411 1.00 0.00 C ATOM 721 O GLU A 46 -0.527 -3.467 -10.653 1.00 0.00 O ATOM 722 CB GLU A 46 0.356 -6.449 -11.511 1.00 0.00 C ATOM 723 CG GLU A 46 1.772 -7.020 -11.610 1.00 0.00 C ATOM 724 CD GLU A 46 1.788 -8.446 -11.056 1.00 0.00 C ATOM 725 OE1 GLU A 46 0.823 -9.159 -11.282 1.00 0.00 O ATOM 726 OE2 GLU A 46 2.762 -8.802 -10.415 1.00 0.00 O ATOM 0 H GLU A 46 -1.797 -5.132 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 46 0.936 -6.070 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.377 -7.253 -11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.166 -5.773 -12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.104 -7.018 -12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.468 -6.394 -11.051 1.00 0.00 H new ATOM 733 N VAL A 47 1.628 -3.750 -10.337 1.00 0.00 N ATOM 734 CA VAL A 47 1.897 -2.300 -10.549 1.00 0.00 C ATOM 735 C VAL A 47 2.845 -2.125 -11.737 1.00 0.00 C ATOM 736 O VAL A 47 3.961 -2.606 -11.728 1.00 0.00 O ATOM 737 CB VAL A 47 2.541 -1.712 -9.291 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.675 -0.196 -9.447 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.663 -2.023 -8.077 1.00 0.00 C ATOM 0 H VAL A 47 2.451 -4.319 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 47 0.960 -1.783 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 47 3.528 -2.151 -9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.134 0.223 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.299 0.027 -10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.688 0.244 -9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.121 -1.605 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.676 -1.583 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.566 -3.103 -7.965 1.00 0.00 H new ATOM 749 N PHE A 48 2.409 -1.441 -12.759 1.00 0.00 N ATOM 750 CA PHE A 48 3.287 -1.236 -13.946 1.00 0.00 C ATOM 751 C PHE A 48 3.812 0.201 -13.948 1.00 0.00 C ATOM 752 O PHE A 48 3.182 1.104 -13.434 1.00 0.00 O ATOM 753 CB PHE A 48 2.483 -1.488 -15.223 1.00 0.00 C ATOM 754 CG PHE A 48 1.868 -2.866 -15.168 1.00 0.00 C ATOM 755 CD1 PHE A 48 2.598 -3.976 -15.612 1.00 0.00 C ATOM 756 CD2 PHE A 48 0.569 -3.035 -14.673 1.00 0.00 C ATOM 757 CE1 PHE A 48 2.029 -5.254 -15.560 1.00 0.00 C ATOM 758 CE2 PHE A 48 0.000 -4.313 -14.623 1.00 0.00 C ATOM 759 CZ PHE A 48 0.730 -5.422 -15.065 1.00 0.00 C ATOM 0 H PHE A 48 1.484 -1.016 -12.824 1.00 0.00 H new ATOM 0 HA PHE A 48 4.127 -1.930 -13.903 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.703 -0.734 -15.329 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.130 -1.402 -16.096 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.600 -3.846 -15.994 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.006 -2.179 -14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.592 -6.110 -15.902 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.003 -4.443 -14.243 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.291 -6.408 -15.024 1.00 0.00 H new ATOM 769 N THR A 49 4.963 0.421 -14.523 1.00 0.00 N ATOM 770 CA THR A 49 5.526 1.800 -14.557 1.00 0.00 C ATOM 771 C THR A 49 5.647 2.267 -16.009 1.00 0.00 C ATOM 772 O THR A 49 5.846 1.476 -16.910 1.00 0.00 O ATOM 773 CB THR A 49 6.912 1.802 -13.905 1.00 0.00 C ATOM 774 OG1 THR A 49 7.887 1.432 -14.868 1.00 0.00 O ATOM 775 CG2 THR A 49 6.932 0.806 -12.744 1.00 0.00 C ATOM 0 H THR A 49 5.537 -0.294 -14.970 1.00 0.00 H new ATOM 0 HA THR A 49 4.866 2.474 -14.012 1.00 0.00 H new ATOM 0 HB THR A 49 7.136 2.800 -13.528 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.775 1.434 -14.453 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.918 0.808 -12.280 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.183 1.093 -12.006 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.709 -0.193 -13.118 1.00 0.00 H new ATOM 783 N PRO A 50 5.529 3.549 -16.230 1.00 0.00 N ATOM 784 CA PRO A 50 5.626 4.146 -17.594 1.00 0.00 C ATOM 785 C PRO A 50 7.060 4.127 -18.132 1.00 0.00 C ATOM 786 O PRO A 50 8.014 4.055 -17.384 1.00 0.00 O ATOM 787 CB PRO A 50 5.148 5.585 -17.399 1.00 0.00 C ATOM 788 CG PRO A 50 5.393 5.894 -15.959 1.00 0.00 C ATOM 789 CD PRO A 50 5.290 4.570 -15.200 1.00 0.00 C ATOM 0 HA PRO A 50 5.037 3.588 -18.322 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.694 6.271 -18.046 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.091 5.685 -17.648 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.377 6.343 -15.822 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.661 6.611 -15.587 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.028 4.510 -14.400 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.310 4.450 -14.739 1.00 0.00 H new ATOM 911 N LEU A 60 4.958 -2.013 -21.156 1.00 0.00 N ATOM 912 CA LEU A 60 5.368 -1.225 -19.959 1.00 0.00 C ATOM 913 C LEU A 60 6.328 -2.056 -19.107 1.00 0.00 C ATOM 914 O LEU A 60 6.336 -3.269 -19.167 1.00 0.00 O ATOM 915 CB LEU A 60 4.129 -0.870 -19.134 1.00 0.00 C ATOM 916 CG LEU A 60 3.236 0.079 -19.935 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.767 -0.255 -19.666 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.516 1.522 -19.508 1.00 0.00 C ATOM 0 HA LEU A 60 5.866 -0.310 -20.279 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.578 -1.775 -18.878 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.426 -0.401 -18.196 1.00 0.00 H new ATOM 0 HG LEU A 60 3.446 -0.034 -20.999 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.130 0.421 -20.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.567 -1.283 -19.967 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.557 -0.141 -18.603 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.880 2.200 -20.078 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.305 1.634 -18.445 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.563 1.761 -19.697 1.00 0.00 H new ATOM 930 N GLY A 61 7.139 -1.413 -18.312 1.00 0.00 N ATOM 931 CA GLY A 61 8.098 -2.167 -17.456 1.00 0.00 C ATOM 932 C GLY A 61 7.498 -2.359 -16.063 1.00 0.00 C ATOM 933 O GLY A 61 6.387 -1.948 -15.792 1.00 0.00 O ATOM 0 H GLY A 61 7.179 -0.398 -18.218 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.319 -3.135 -17.905 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.042 -1.626 -17.385 1.00 0.00 H new ATOM 937 N ALA A 62 8.225 -2.982 -15.175 1.00 0.00 N ATOM 938 CA ALA A 62 7.695 -3.200 -13.800 1.00 0.00 C ATOM 939 C ALA A 62 8.704 -2.676 -12.776 1.00 0.00 C ATOM 940 O ALA A 62 9.896 -2.672 -13.011 1.00 0.00 O ATOM 941 CB ALA A 62 7.467 -4.695 -13.571 1.00 0.00 C ATOM 0 H ALA A 62 9.162 -3.349 -15.343 1.00 0.00 H new ATOM 0 HA ALA A 62 6.751 -2.667 -13.687 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.079 -4.854 -12.565 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.748 -5.069 -14.300 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.411 -5.229 -13.685 1.00 0.00 H new ATOM 947 N ALA A 63 8.237 -2.232 -11.641 1.00 0.00 N ATOM 948 CA ALA A 63 9.170 -1.709 -10.605 1.00 0.00 C ATOM 949 C ALA A 63 9.592 -2.847 -9.675 1.00 0.00 C ATOM 950 O ALA A 63 9.045 -3.932 -9.717 1.00 0.00 O ATOM 951 CB ALA A 63 8.468 -0.619 -9.791 1.00 0.00 C ATOM 0 H ALA A 63 7.249 -2.209 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 63 10.052 -1.291 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.150 -0.235 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.168 0.193 -10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.585 -1.038 -9.307 1.00 0.00 H new ATOM 957 N SER A 64 10.561 -2.610 -8.833 1.00 0.00 N ATOM 958 CA SER A 64 11.018 -3.679 -7.901 1.00 0.00 C ATOM 959 C SER A 64 10.398 -3.450 -6.520 1.00 0.00 C ATOM 960 O SER A 64 9.940 -2.369 -6.207 1.00 0.00 O ATOM 961 CB SER A 64 12.542 -3.642 -7.789 1.00 0.00 C ATOM 962 OG SER A 64 12.915 -3.751 -6.421 1.00 0.00 O ATOM 0 H SER A 64 11.056 -1.722 -8.751 1.00 0.00 H new ATOM 0 HA SER A 64 10.707 -4.651 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.980 -4.458 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.927 -2.713 -8.210 1.00 0.00 H new ATOM 0 HG SER A 64 13.892 -3.729 -6.346 1.00 0.00 H new ATOM 968 N LYS A 65 10.382 -4.458 -5.693 1.00 0.00 N ATOM 969 CA LYS A 65 9.793 -4.297 -4.334 1.00 0.00 C ATOM 970 C LYS A 65 10.517 -3.170 -3.595 1.00 0.00 C ATOM 971 O LYS A 65 9.902 -2.313 -2.990 1.00 0.00 O ATOM 972 CB LYS A 65 9.948 -5.602 -3.551 1.00 0.00 C ATOM 973 CG LYS A 65 8.899 -6.610 -4.025 1.00 0.00 C ATOM 974 CD LYS A 65 9.106 -7.942 -3.302 1.00 0.00 C ATOM 975 CE LYS A 65 8.616 -7.822 -1.856 1.00 0.00 C ATOM 976 NZ LYS A 65 9.767 -7.987 -0.925 1.00 0.00 N ATOM 0 H LYS A 65 10.751 -5.386 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 65 8.735 -4.052 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.949 -6.008 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.831 -5.414 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.897 -6.229 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.978 -6.753 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.563 -8.735 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.161 -8.216 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.145 -6.852 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.859 -8.580 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.434 -7.905 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.198 -8.923 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.474 -7.248 -1.113 1.00 0.00 H new ATOM 990 N ALA A 66 11.822 -3.161 -3.638 1.00 0.00 N ATOM 991 CA ALA A 66 12.583 -2.090 -2.938 1.00 0.00 C ATOM 992 C ALA A 66 12.090 -0.721 -3.411 1.00 0.00 C ATOM 993 O ALA A 66 12.252 0.276 -2.735 1.00 0.00 O ATOM 994 CB ALA A 66 14.074 -2.232 -3.254 1.00 0.00 C ATOM 0 H ALA A 66 12.393 -3.850 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 66 12.430 -2.180 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.631 -1.448 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.426 -3.207 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.228 -2.143 -4.329 1.00 0.00 H new ATOM 1000 N GLN A 67 11.490 -0.664 -4.569 1.00 0.00 N ATOM 1001 CA GLN A 67 10.988 0.640 -5.083 1.00 0.00 C ATOM 1002 C GLN A 67 9.612 0.932 -4.481 1.00 0.00 C ATOM 1003 O GLN A 67 9.410 1.935 -3.826 1.00 0.00 O ATOM 1004 CB GLN A 67 10.875 0.578 -6.608 1.00 0.00 C ATOM 1005 CG GLN A 67 10.412 1.935 -7.143 1.00 0.00 C ATOM 1006 CD GLN A 67 11.174 2.265 -8.427 1.00 0.00 C ATOM 1007 OE1 GLN A 67 10.639 2.152 -9.511 1.00 0.00 O ATOM 1008 NE2 GLN A 67 12.412 2.672 -8.350 1.00 0.00 N ATOM 0 H GLN A 67 11.326 -1.464 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 67 11.682 1.432 -4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.838 0.313 -7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.169 -0.200 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.340 1.914 -7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.584 2.710 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.862 2.767 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.929 2.895 -9.200 1.00 0.00 H new ATOM 1017 N VAL A 68 8.663 0.062 -4.698 1.00 0.00 N ATOM 1018 CA VAL A 68 7.302 0.290 -4.137 1.00 0.00 C ATOM 1019 C VAL A 68 7.407 0.563 -2.635 1.00 0.00 C ATOM 1020 O VAL A 68 6.593 1.261 -2.064 1.00 0.00 O ATOM 1021 CB VAL A 68 6.439 -0.953 -4.370 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.069 -0.752 -3.723 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.265 -1.178 -5.874 1.00 0.00 C ATOM 0 H VAL A 68 8.772 -0.796 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 68 6.845 1.148 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 68 6.926 -1.821 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.455 -1.637 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.192 -0.592 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.581 0.116 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.651 -2.063 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.778 -0.309 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.242 -1.322 -6.336 1.00 0.00 H new ATOM 1033 N GLU A 69 8.404 0.018 -1.992 1.00 0.00 N ATOM 1034 CA GLU A 69 8.559 0.247 -0.529 1.00 0.00 C ATOM 1035 C GLU A 69 9.005 1.691 -0.282 1.00 0.00 C ATOM 1036 O GLU A 69 8.292 2.478 0.309 1.00 0.00 O ATOM 1037 CB GLU A 69 9.611 -0.713 0.030 1.00 0.00 C ATOM 1038 CG GLU A 69 9.019 -2.121 0.127 1.00 0.00 C ATOM 1039 CD GLU A 69 10.144 -3.155 0.054 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.287 -2.771 0.241 1.00 0.00 O ATOM 1041 OE2 GLU A 69 9.844 -4.312 -0.187 1.00 0.00 O ATOM 0 H GLU A 69 9.117 -0.575 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 69 7.605 0.071 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.490 -0.721 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.939 -0.377 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.469 -2.232 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.308 -2.284 -0.683 1.00 0.00 H new ATOM 1048 N ASN A 70 10.178 2.044 -0.731 1.00 0.00 N ATOM 1049 CA ASN A 70 10.668 3.435 -0.523 1.00 0.00 C ATOM 1050 C ASN A 70 9.506 4.417 -0.691 1.00 0.00 C ATOM 1051 O ASN A 70 9.519 5.508 -0.156 1.00 0.00 O ATOM 1052 CB ASN A 70 11.755 3.753 -1.550 1.00 0.00 C ATOM 1053 CG ASN A 70 12.708 4.804 -0.978 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.388 4.558 0.000 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.789 5.975 -1.549 1.00 0.00 N ATOM 0 H ASN A 70 10.818 1.429 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 70 11.080 3.527 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.306 2.847 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.303 4.120 -2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.422 6.682 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.219 6.183 -2.369 1.00 0.00 H new ATOM 1062 N GLU A 71 8.499 4.038 -1.430 1.00 0.00 N ATOM 1063 CA GLU A 71 7.338 4.950 -1.632 1.00 0.00 C ATOM 1064 C GLU A 71 6.475 4.963 -0.369 1.00 0.00 C ATOM 1065 O GLU A 71 6.318 5.981 0.277 1.00 0.00 O ATOM 1066 CB GLU A 71 6.502 4.458 -2.816 1.00 0.00 C ATOM 1067 CG GLU A 71 7.399 4.306 -4.046 1.00 0.00 C ATOM 1068 CD GLU A 71 7.636 5.678 -4.678 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.693 6.230 -5.221 1.00 0.00 O ATOM 1070 OE2 GLU A 71 8.758 6.154 -4.610 1.00 0.00 O ATOM 0 H GLU A 71 8.430 3.137 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 71 7.699 5.958 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.035 3.504 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.697 5.163 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.350 3.856 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.933 3.637 -4.769 1.00 0.00 H new ATOM 1077 N PHE A 72 5.911 3.841 -0.013 1.00 0.00 N ATOM 1078 CA PHE A 72 5.059 3.791 1.209 1.00 0.00 C ATOM 1079 C PHE A 72 5.903 3.345 2.404 1.00 0.00 C ATOM 1080 O PHE A 72 6.230 4.129 3.272 1.00 0.00 O ATOM 1081 CB PHE A 72 3.917 2.796 0.992 1.00 0.00 C ATOM 1082 CG PHE A 72 3.092 3.227 -0.197 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.056 4.154 -0.032 1.00 0.00 C ATOM 1084 CD2 PHE A 72 3.363 2.699 -1.466 1.00 0.00 C ATOM 1085 CE1 PHE A 72 1.291 4.553 -1.134 1.00 0.00 C ATOM 1086 CE2 PHE A 72 2.598 3.100 -2.568 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.562 4.027 -2.402 1.00 0.00 C ATOM 0 H PHE A 72 6.003 2.958 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 72 4.648 4.781 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.318 1.796 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.291 2.745 1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.847 4.561 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.161 1.983 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.491 5.267 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.807 2.694 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.972 4.336 -3.252 1.00 0.00 H new ATOM 1097 N GLY A 73 6.261 2.091 2.454 1.00 0.00 N ATOM 1098 CA GLY A 73 7.085 1.597 3.593 1.00 0.00 C ATOM 1099 C GLY A 73 7.183 0.071 3.530 1.00 0.00 C ATOM 1100 O GLY A 73 6.601 -0.562 2.673 1.00 0.00 O ATOM 0 H GLY A 73 6.019 1.388 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.081 2.038 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.638 1.904 4.539 1.00 0.00 H new ATOM 1104 N LYS A 74 7.916 -0.522 4.431 1.00 0.00 N ATOM 1105 CA LYS A 74 8.050 -2.007 4.421 1.00 0.00 C ATOM 1106 C LYS A 74 7.057 -2.616 5.413 1.00 0.00 C ATOM 1107 O LYS A 74 6.431 -1.918 6.186 1.00 0.00 O ATOM 1108 CB LYS A 74 9.475 -2.394 4.824 1.00 0.00 C ATOM 1109 CG LYS A 74 10.389 -1.172 4.704 1.00 0.00 C ATOM 1110 CD LYS A 74 11.849 -1.614 4.824 1.00 0.00 C ATOM 1111 CE LYS A 74 12.760 -0.387 4.755 1.00 0.00 C ATOM 1112 NZ LYS A 74 14.038 -0.678 5.464 1.00 0.00 N ATOM 0 H LYS A 74 8.428 -0.044 5.173 1.00 0.00 H new ATOM 0 HA LYS A 74 7.841 -2.383 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.486 -2.770 5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.839 -3.198 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.226 -0.675 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.151 -0.449 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.004 -2.143 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.097 -2.310 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.959 -0.127 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.267 0.472 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.658 0.156 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.839 -0.907 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.510 -1.486 5.011 1.00 0.00 H new ATOM 1126 N GLY A 75 6.907 -3.912 5.397 1.00 0.00 N ATOM 1127 CA GLY A 75 5.954 -4.564 6.339 1.00 0.00 C ATOM 1128 C GLY A 75 4.548 -4.544 5.739 1.00 0.00 C ATOM 1129 O GLY A 75 3.741 -5.416 5.996 1.00 0.00 O ATOM 0 H GLY A 75 7.403 -4.548 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.263 -5.591 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.959 -4.043 7.297 1.00 0.00 H new ATOM 1133 N LYS A 76 4.247 -3.556 4.941 1.00 0.00 N ATOM 1134 CA LYS A 76 2.893 -3.483 4.325 1.00 0.00 C ATOM 1135 C LYS A 76 2.802 -4.481 3.170 1.00 0.00 C ATOM 1136 O LYS A 76 3.798 -4.871 2.594 1.00 0.00 O ATOM 1137 CB LYS A 76 2.649 -2.068 3.797 1.00 0.00 C ATOM 1138 CG LYS A 76 2.994 -1.049 4.885 1.00 0.00 C ATOM 1139 CD LYS A 76 3.203 0.327 4.251 1.00 0.00 C ATOM 1140 CE LYS A 76 2.626 1.406 5.169 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.147 1.464 4.998 1.00 0.00 N ATOM 0 H LYS A 76 4.880 -2.797 4.689 1.00 0.00 H new ATOM 0 HA LYS A 76 2.140 -3.727 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.258 -1.889 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.607 -1.956 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.192 -1.003 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.896 -1.358 5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.266 0.505 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.718 0.367 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.875 1.186 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.068 2.374 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.760 2.231 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.920 1.642 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.728 0.559 5.292 1.00 0.00 H new ATOM 1155 N LYS A 77 1.614 -4.899 2.827 1.00 0.00 N ATOM 1156 CA LYS A 77 1.462 -5.873 1.710 1.00 0.00 C ATOM 1157 C LYS A 77 1.114 -5.121 0.423 1.00 0.00 C ATOM 1158 O LYS A 77 1.067 -3.908 0.395 1.00 0.00 O ATOM 1159 CB LYS A 77 0.340 -6.860 2.042 1.00 0.00 C ATOM 1160 CG LYS A 77 0.723 -7.667 3.285 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.490 -8.462 3.771 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.494 -9.842 3.111 1.00 0.00 C ATOM 1163 NZ LYS A 77 0.829 -10.496 3.318 1.00 0.00 N ATOM 0 H LYS A 77 0.743 -4.608 3.272 1.00 0.00 H new ATOM 0 HA LYS A 77 2.396 -6.418 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.592 -6.323 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.168 -7.529 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.545 -8.344 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.072 -6.999 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.459 -8.566 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.409 -7.928 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.286 -10.458 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.702 -9.747 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.692 -11.515 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.424 -10.349 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.295 -10.080 4.150 1.00 0.00 H new ATOM 1177 N ILE A 78 0.872 -5.833 -0.644 1.00 0.00 N ATOM 1178 CA ILE A 78 0.529 -5.159 -1.928 1.00 0.00 C ATOM 1179 C ILE A 78 -0.901 -4.616 -1.854 1.00 0.00 C ATOM 1180 O ILE A 78 -1.203 -3.565 -2.381 1.00 0.00 O ATOM 1181 CB ILE A 78 0.634 -6.163 -3.077 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.521 -5.424 -4.411 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.496 -7.188 -2.965 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.910 -4.966 -4.861 1.00 0.00 C ATOM 0 H ILE A 78 0.897 -6.852 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 78 1.222 -4.336 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 78 1.595 -6.675 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.080 -6.077 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.141 -4.564 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.421 -7.903 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.416 -7.715 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.457 -6.677 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.829 -4.439 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.334 -4.298 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.558 -5.834 -4.981 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.782 -5.327 -1.205 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.189 -4.850 -1.099 1.00 0.00 C ATOM 1198 C GLU A 79 -3.225 -3.526 -0.333 1.00 0.00 C ATOM 1199 O GLU A 79 -3.827 -2.563 -0.765 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.027 -5.893 -0.355 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.320 -6.283 0.944 1.00 0.00 C ATOM 1202 CD GLU A 79 -3.830 -7.648 1.413 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -4.766 -8.147 0.810 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -3.276 -8.170 2.366 1.00 0.00 O ATOM 0 H GLU A 79 -1.588 -6.216 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.597 -4.701 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.017 -5.491 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.171 -6.773 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.242 -6.320 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.505 -5.531 1.711 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.584 -3.470 0.802 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.581 -2.208 1.595 1.00 0.00 C ATOM 1213 C GLU A 80 -2.059 -1.061 0.726 1.00 0.00 C ATOM 1214 O GLU A 80 -2.750 -0.091 0.481 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.675 -2.376 2.817 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.371 -1.801 4.052 1.00 0.00 C ATOM 1217 CD GLU A 80 -2.461 -0.279 3.925 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -2.942 0.183 2.903 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -2.047 0.398 4.851 1.00 0.00 O ATOM 0 H GLU A 80 -2.062 -4.243 1.215 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.596 -1.982 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.448 -3.431 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.726 -1.867 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.369 -2.228 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.818 -2.069 4.952 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.844 -1.161 0.260 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.280 -0.076 -0.591 1.00 0.00 C ATOM 1228 C VAL A 81 -1.346 0.405 -1.577 1.00 0.00 C ATOM 1229 O VAL A 81 -1.760 1.547 -1.549 1.00 0.00 O ATOM 1230 CB VAL A 81 0.926 -0.610 -1.365 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.142 0.235 -2.621 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.173 -0.532 -0.480 1.00 0.00 C ATOM 0 H VAL A 81 -0.218 -1.947 0.432 1.00 0.00 H new ATOM 0 HA VAL A 81 0.033 0.756 0.041 1.00 0.00 H new ATOM 0 HB VAL A 81 0.744 -1.646 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.002 -0.146 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.254 0.183 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.324 1.271 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.034 -0.912 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.353 0.505 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.021 -1.133 0.417 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.794 -0.456 -2.449 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.831 -0.046 -3.437 1.00 0.00 C ATOM 1244 C ILE A 82 -3.927 0.752 -2.726 1.00 0.00 C ATOM 1245 O ILE A 82 -4.282 1.839 -3.137 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.444 -1.292 -4.078 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.530 -1.788 -5.201 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.818 -0.947 -4.657 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -3.040 -3.134 -5.718 1.00 0.00 C ATOM 0 H ILE A 82 -1.487 -1.426 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.373 0.573 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.553 -2.071 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.506 -1.061 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.509 -1.891 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.254 -1.836 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.470 -0.592 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.710 -0.168 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.389 -3.487 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.041 -3.859 -4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.054 -3.016 -6.101 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.465 0.222 -1.661 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.536 0.950 -0.926 1.00 0.00 C ATOM 1263 C ASP A 83 -5.229 2.449 -0.929 1.00 0.00 C ATOM 1264 O ASP A 83 -6.035 3.257 -1.347 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.599 0.446 0.517 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.061 0.313 0.950 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.764 1.309 0.902 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.451 -0.781 1.320 1.00 0.00 O ATOM 0 H ASP A 83 -4.208 -0.684 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.494 0.774 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.096 -0.517 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.075 1.137 1.178 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.069 2.828 -0.466 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.712 4.275 -0.443 1.00 0.00 C ATOM 1275 C LEU A 84 -3.836 4.853 -1.854 1.00 0.00 C ATOM 1276 O LEU A 84 -4.593 5.772 -2.094 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.272 4.436 0.051 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.136 3.817 1.442 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.655 3.696 1.806 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.841 4.708 2.467 1.00 0.00 C ATOM 0 H LEU A 84 -3.353 2.198 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.388 4.806 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.583 3.953 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.004 5.492 0.084 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.592 2.827 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.559 3.255 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.152 3.062 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.198 4.685 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.745 4.267 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.385 5.698 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.897 4.794 2.209 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.096 4.324 -2.789 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.171 4.844 -4.183 1.00 0.00 C ATOM 1294 C ILE A 85 -4.622 5.197 -4.520 1.00 0.00 C ATOM 1295 O ILE A 85 -4.899 6.209 -5.131 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.668 3.775 -5.154 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -1.170 3.549 -4.933 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.905 4.237 -6.593 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.681 2.419 -5.840 1.00 0.00 C ATOM 0 H ILE A 85 -2.442 3.554 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.551 5.736 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.207 2.844 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.619 4.465 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.980 3.299 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.546 3.474 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.971 4.398 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.367 5.168 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.386 2.260 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.223 1.503 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.856 2.687 -6.882 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.550 4.368 -4.126 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.981 4.657 -4.425 1.00 0.00 C ATOM 1313 C LEU A 86 -7.406 5.937 -3.703 1.00 0.00 C ATOM 1314 O LEU A 86 -8.218 6.697 -4.193 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.847 3.490 -3.945 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.336 2.187 -4.562 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.197 1.020 -4.076 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.417 2.279 -6.087 1.00 0.00 C ATOM 0 H LEU A 86 -5.379 3.504 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.108 4.787 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.818 3.425 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.887 3.655 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.301 2.025 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.833 0.091 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.140 0.954 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.232 1.182 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.053 1.351 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.452 2.442 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.804 3.110 -6.434 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.865 6.182 -2.541 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.240 7.413 -1.790 1.00 0.00 C ATOM 1332 C ARG A 87 -6.827 8.648 -2.594 1.00 0.00 C ATOM 1333 O ARG A 87 -7.250 9.753 -2.314 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.524 7.424 -0.438 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.418 8.093 0.608 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.576 8.487 1.824 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.451 9.128 2.845 1.00 0.00 N ATOM 1338 CZ ARG A 87 -7.023 9.276 4.070 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -5.830 8.863 4.398 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -7.790 9.836 4.965 1.00 0.00 N ATOM 0 H ARG A 87 -6.180 5.583 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.318 7.426 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.288 6.405 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.578 7.960 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.896 8.975 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.215 7.413 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.092 7.606 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.784 9.174 1.525 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.384 9.451 2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.232 8.425 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.495 8.978 5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.723 10.158 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.456 9.952 5.922 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.006 8.471 -3.593 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.568 9.635 -4.412 1.00 0.00 C ATOM 1356 C ASN A 88 -6.287 9.607 -5.763 1.00 0.00 C ATOM 1357 O ASN A 88 -7.346 10.179 -5.925 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.057 9.563 -4.637 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.339 10.337 -3.530 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.147 11.532 -3.635 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -2.930 9.701 -2.466 1.00 0.00 N ATOM 0 H ASN A 88 -5.620 7.571 -3.877 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.813 10.559 -3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.728 8.524 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.803 9.981 -5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.449 10.207 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.091 8.698 -2.378 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.719 8.945 -6.734 1.00 0.00 N ATOM 1369 CA GLY A 89 -6.371 8.882 -8.073 1.00 0.00 C ATOM 1370 C GLY A 89 -6.222 10.230 -8.779 1.00 0.00 C ATOM 1371 O GLY A 89 -6.557 11.265 -8.238 1.00 0.00 O ATOM 0 H GLY A 89 -4.833 8.446 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.917 8.093 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.426 8.632 -7.964 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.724 10.227 -9.985 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.555 11.509 -10.725 1.00 0.00 C ATOM 1377 C LYS A 90 -5.957 11.311 -12.188 1.00 0.00 C ATOM 1378 O LYS A 90 -5.162 11.490 -13.089 1.00 0.00 O ATOM 1379 CB LYS A 90 -4.092 11.950 -10.654 1.00 0.00 C ATOM 1380 CG LYS A 90 -3.953 13.357 -11.238 1.00 0.00 C ATOM 1381 CD LYS A 90 -3.840 14.375 -10.099 1.00 0.00 C ATOM 1382 CE LYS A 90 -3.491 15.748 -10.674 1.00 0.00 C ATOM 1383 NZ LYS A 90 -4.441 16.765 -10.141 1.00 0.00 N ATOM 0 H LYS A 90 -5.427 9.392 -10.490 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.188 12.274 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.748 11.939 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.464 11.252 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.072 13.411 -11.877 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.815 13.589 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.780 14.427 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.074 14.060 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.468 16.016 -10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.542 15.722 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.204 17.699 -10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.411 16.511 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.371 16.796 -9.104 1.00 0.00 H new