USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 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 67:sc= -0.965 USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= 0.187 (180deg=0) USER MOD Single : A 7 TYR OH : rot 165:sc= -0.901! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 108:sc= 0.283 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -159:sc= -0.149 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -0.0718 (180deg=-0.507) USER MOD Single : A 32 ASN : amide:sc= -0.0695 K(o=-0.07,f=-0.58) USER MOD Single : A 34 SER OG : rot -48:sc= 1.16 USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= -6.75! (180deg=-7.12!) 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= 0.142 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00511) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= -1.28! (180deg=-1.29) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0806) USER MOD Single : A 88 ASN : amide:sc= -1.14! K(o=-1.1!,f=0.14) USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= 0.152 (180deg=-0.0207) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.511 -0.916 -19.736 1.00 0.00 N ATOM 44 CA VAL A 4 -11.280 -0.711 -18.279 1.00 0.00 C ATOM 45 C VAL A 4 -10.838 0.734 -18.031 1.00 0.00 C ATOM 46 O VAL A 4 -10.884 1.567 -18.913 1.00 0.00 O ATOM 47 CB VAL A 4 -10.190 -1.668 -17.794 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.632 -3.112 -18.039 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.895 -1.395 -18.563 1.00 0.00 C ATOM 0 HA VAL A 4 -12.203 -0.908 -17.734 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.021 -1.516 -16.728 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.855 -3.794 -17.693 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.555 -3.307 -17.494 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.801 -3.265 -19.105 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.117 -2.076 -18.219 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.066 -1.548 -19.629 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.579 -0.366 -18.390 1.00 0.00 H new ATOM 59 N THR A 5 -10.408 1.035 -16.837 1.00 0.00 N ATOM 60 CA THR A 5 -9.962 2.425 -16.534 1.00 0.00 C ATOM 61 C THR A 5 -8.523 2.397 -16.017 1.00 0.00 C ATOM 62 O THR A 5 -8.045 1.388 -15.537 1.00 0.00 O ATOM 63 CB THR A 5 -10.876 3.033 -15.467 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.102 2.317 -15.432 1.00 0.00 O ATOM 65 CG2 THR A 5 -11.148 4.500 -15.803 1.00 0.00 C ATOM 0 H THR A 5 -10.346 0.379 -16.058 1.00 0.00 H new ATOM 0 HA THR A 5 -10.011 3.028 -17.441 1.00 0.00 H new ATOM 0 HB THR A 5 -10.391 2.970 -14.493 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.939 1.405 -15.112 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.799 4.933 -15.043 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.206 5.048 -15.829 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.633 4.566 -16.777 1.00 0.00 H new ATOM 73 N LYS A 6 -7.826 3.497 -16.112 1.00 0.00 N ATOM 74 CA LYS A 6 -6.419 3.531 -15.626 1.00 0.00 C ATOM 75 C LYS A 6 -6.292 4.556 -14.496 1.00 0.00 C ATOM 76 O LYS A 6 -6.866 5.626 -14.549 1.00 0.00 O ATOM 77 CB LYS A 6 -5.491 3.925 -16.777 1.00 0.00 C ATOM 78 CG LYS A 6 -4.996 2.665 -17.490 1.00 0.00 C ATOM 79 CD LYS A 6 -3.968 3.050 -18.555 1.00 0.00 C ATOM 80 CE LYS A 6 -3.566 1.807 -19.350 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.311 1.239 -18.781 1.00 0.00 N ATOM 0 H LYS A 6 -8.171 4.373 -16.505 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.140 2.545 -15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.020 4.569 -17.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.644 4.496 -16.396 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.550 1.979 -16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.834 2.142 -17.951 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.386 3.803 -19.224 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.090 3.493 -18.085 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.363 1.065 -19.313 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.419 2.065 -20.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.693 0.920 -19.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.821 1.968 -18.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.542 0.432 -18.167 1.00 0.00 H new ATOM 95 N TYR A 7 -5.547 4.236 -13.473 1.00 0.00 N ATOM 96 CA TYR A 7 -5.386 5.192 -12.343 1.00 0.00 C ATOM 97 C TYR A 7 -3.926 5.649 -12.268 1.00 0.00 C ATOM 98 O TYR A 7 -3.030 4.859 -12.050 1.00 0.00 O ATOM 99 CB TYR A 7 -5.774 4.500 -11.032 1.00 0.00 C ATOM 100 CG TYR A 7 -6.958 5.208 -10.415 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.079 5.507 -11.198 1.00 0.00 C ATOM 102 CD2 TYR A 7 -6.932 5.565 -9.062 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.177 6.163 -10.627 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.029 6.222 -8.491 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.152 6.520 -9.273 1.00 0.00 C ATOM 106 OH TYR A 7 -10.233 7.167 -8.710 1.00 0.00 O ATOM 0 H TYR A 7 -5.044 3.355 -13.372 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.030 6.057 -12.501 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.020 3.455 -11.220 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.931 4.510 -10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.097 5.232 -12.242 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.067 5.334 -8.459 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.042 6.393 -11.231 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.009 6.499 -7.447 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.164 7.131 -7.733 1.00 0.00 H new ATOM 116 N PHE A 8 -3.683 6.918 -12.446 1.00 0.00 N ATOM 117 CA PHE A 8 -2.283 7.424 -12.386 1.00 0.00 C ATOM 118 C PHE A 8 -2.020 8.034 -11.007 1.00 0.00 C ATOM 119 O PHE A 8 -2.747 8.892 -10.550 1.00 0.00 O ATOM 120 CB PHE A 8 -2.079 8.490 -13.463 1.00 0.00 C ATOM 121 CG PHE A 8 -1.649 7.829 -14.751 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.431 6.813 -15.311 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.468 8.233 -15.385 1.00 0.00 C ATOM 124 CE1 PHE A 8 -2.033 6.200 -16.505 1.00 0.00 C ATOM 125 CE2 PHE A 8 -0.068 7.621 -16.579 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.851 6.603 -17.139 1.00 0.00 C ATOM 0 H PHE A 8 -4.393 7.626 -12.630 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.591 6.599 -12.556 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.003 9.047 -13.618 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.325 9.208 -13.141 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.342 6.501 -14.822 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.135 9.018 -14.953 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.637 5.416 -16.937 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.843 7.933 -17.068 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.543 6.129 -18.059 1.00 0.00 H new ATOM 136 N TYR A 9 -0.985 7.599 -10.342 1.00 0.00 N ATOM 137 CA TYR A 9 -0.676 8.155 -8.995 1.00 0.00 C ATOM 138 C TYR A 9 0.722 8.775 -9.007 1.00 0.00 C ATOM 139 O TYR A 9 1.719 8.082 -9.024 1.00 0.00 O ATOM 140 CB TYR A 9 -0.728 7.033 -7.956 1.00 0.00 C ATOM 141 CG TYR A 9 -0.125 7.519 -6.660 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.866 8.350 -5.811 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.175 7.138 -6.307 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.307 8.801 -4.610 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.735 7.589 -5.105 1.00 0.00 C ATOM 146 CZ TYR A 9 0.995 8.420 -4.256 1.00 0.00 C ATOM 147 OH TYR A 9 1.546 8.864 -3.072 1.00 0.00 O ATOM 0 H TYR A 9 -0.340 6.882 -10.674 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.410 8.920 -8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.759 6.720 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.183 6.161 -8.319 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.869 8.643 -6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.746 6.496 -6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.879 9.443 -3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.738 7.295 -4.833 1.00 0.00 H new ATOM 0 HH TYR A 9 2.454 8.507 -2.979 1.00 0.00 H new ATOM 157 N LYS A 10 0.803 10.078 -8.998 1.00 0.00 N ATOM 158 CA LYS A 10 2.137 10.741 -9.009 1.00 0.00 C ATOM 159 C LYS A 10 2.730 10.719 -7.599 1.00 0.00 C ATOM 160 O LYS A 10 2.450 11.577 -6.784 1.00 0.00 O ATOM 161 CB LYS A 10 1.982 12.190 -9.474 1.00 0.00 C ATOM 162 CG LYS A 10 3.352 12.873 -9.486 1.00 0.00 C ATOM 163 CD LYS A 10 3.263 14.181 -10.272 1.00 0.00 C ATOM 164 CE LYS A 10 4.467 15.063 -9.935 1.00 0.00 C ATOM 165 NZ LYS A 10 4.931 15.764 -11.166 1.00 0.00 N ATOM 0 H LYS A 10 0.003 10.711 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 10 2.801 10.209 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.541 12.218 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.303 12.725 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.680 13.071 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.094 12.215 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.239 13.974 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.337 14.702 -10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.195 15.791 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.273 14.455 -9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.749 16.363 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.206 15.062 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.162 16.356 -11.539 1.00 0.00 H new ATOM 179 N GLY A 11 3.544 9.745 -7.302 1.00 0.00 N ATOM 180 CA GLY A 11 4.153 9.669 -5.944 1.00 0.00 C ATOM 181 C GLY A 11 4.997 10.921 -5.692 1.00 0.00 C ATOM 182 O GLY A 11 4.915 11.893 -6.415 1.00 0.00 O ATOM 0 H GLY A 11 3.814 8.997 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.372 9.586 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.773 8.777 -5.861 1.00 0.00 H new ATOM 186 N GLU A 12 5.809 10.904 -4.669 1.00 0.00 N ATOM 187 CA GLU A 12 6.657 12.092 -4.373 1.00 0.00 C ATOM 188 C GLU A 12 7.626 12.331 -5.533 1.00 0.00 C ATOM 189 O GLU A 12 7.693 13.410 -6.087 1.00 0.00 O ATOM 190 CB GLU A 12 7.450 11.846 -3.088 1.00 0.00 C ATOM 191 CG GLU A 12 6.560 12.130 -1.876 1.00 0.00 C ATOM 192 CD GLU A 12 7.427 12.236 -0.620 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.573 11.822 -0.678 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.929 12.728 0.380 1.00 0.00 O ATOM 0 H GLU A 12 5.921 10.119 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 12 6.021 12.968 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.805 10.816 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.331 12.487 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.006 13.056 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.825 11.334 -1.757 1.00 0.00 H new ATOM 201 N ASN A 13 8.377 11.330 -5.905 1.00 0.00 N ATOM 202 CA ASN A 13 9.339 11.499 -7.029 1.00 0.00 C ATOM 203 C ASN A 13 9.218 10.313 -7.987 1.00 0.00 C ATOM 204 O ASN A 13 9.888 10.247 -8.998 1.00 0.00 O ATOM 205 CB ASN A 13 10.764 11.563 -6.475 1.00 0.00 C ATOM 206 CG ASN A 13 11.521 12.715 -7.140 1.00 0.00 C ATOM 207 OD1 ASN A 13 12.036 12.569 -8.231 1.00 0.00 O ATOM 208 ND2 ASN A 13 11.608 13.862 -6.525 1.00 0.00 N ATOM 0 H ASN A 13 8.365 10.403 -5.479 1.00 0.00 H new ATOM 0 HA ASN A 13 9.114 12.422 -7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.739 11.706 -5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.280 10.621 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.109 14.637 -6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.175 13.984 -5.609 1.00 0.00 H new ATOM 215 N THR A 14 8.366 9.374 -7.677 1.00 0.00 N ATOM 216 CA THR A 14 8.201 8.193 -8.570 1.00 0.00 C ATOM 217 C THR A 14 6.753 8.122 -9.059 1.00 0.00 C ATOM 218 O THR A 14 5.822 8.325 -8.306 1.00 0.00 O ATOM 219 CB THR A 14 8.540 6.917 -7.795 1.00 0.00 C ATOM 220 OG1 THR A 14 9.422 7.234 -6.728 1.00 0.00 O ATOM 221 CG2 THR A 14 9.212 5.912 -8.733 1.00 0.00 C ATOM 0 H THR A 14 7.777 9.374 -6.844 1.00 0.00 H new ATOM 0 HA THR A 14 8.870 8.288 -9.426 1.00 0.00 H new ATOM 0 HB THR A 14 7.625 6.481 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.939 7.179 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.453 5.004 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.535 5.670 -9.552 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.127 6.346 -9.135 1.00 0.00 H new ATOM 229 N ASP A 15 6.555 7.835 -10.317 1.00 0.00 N ATOM 230 CA ASP A 15 5.167 7.752 -10.852 1.00 0.00 C ATOM 231 C ASP A 15 4.818 6.290 -11.140 1.00 0.00 C ATOM 232 O ASP A 15 5.480 5.623 -11.910 1.00 0.00 O ATOM 233 CB ASP A 15 5.070 8.564 -12.146 1.00 0.00 C ATOM 234 CG ASP A 15 3.695 9.231 -12.228 1.00 0.00 C ATOM 235 OD1 ASP A 15 2.730 8.527 -12.477 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.631 10.435 -12.040 1.00 0.00 O ATOM 0 H ASP A 15 7.294 7.655 -10.996 1.00 0.00 H new ATOM 0 HA ASP A 15 4.469 8.154 -10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.855 9.320 -12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.223 7.914 -13.008 1.00 0.00 H new ATOM 241 N LEU A 16 3.782 5.787 -10.527 1.00 0.00 N ATOM 242 CA LEU A 16 3.391 4.368 -10.765 1.00 0.00 C ATOM 243 C LEU A 16 1.978 4.321 -11.352 1.00 0.00 C ATOM 244 O LEU A 16 1.139 5.144 -11.042 1.00 0.00 O ATOM 245 CB LEU A 16 3.421 3.601 -9.442 1.00 0.00 C ATOM 246 CG LEU A 16 4.856 3.544 -8.918 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.839 3.402 -7.395 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.575 2.342 -9.533 1.00 0.00 C ATOM 0 H LEU A 16 3.189 6.297 -9.872 1.00 0.00 H new ATOM 0 HA LEU A 16 4.091 3.910 -11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.775 4.089 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.035 2.592 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 16 5.379 4.461 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.862 3.361 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.326 4.258 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.316 2.486 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.598 2.300 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.052 1.426 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.588 2.442 -10.618 1.00 0.00 H new ATOM 260 N ILE A 17 1.708 3.362 -12.195 1.00 0.00 N ATOM 261 CA ILE A 17 0.350 3.263 -12.800 1.00 0.00 C ATOM 262 C ILE A 17 -0.308 1.952 -12.365 1.00 0.00 C ATOM 263 O ILE A 17 0.352 0.951 -12.166 1.00 0.00 O ATOM 264 CB ILE A 17 0.467 3.293 -14.325 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.277 4.521 -14.748 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.931 3.368 -14.943 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.849 4.297 -16.149 1.00 0.00 C ATOM 0 H ILE A 17 2.369 2.643 -12.491 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.258 4.103 -12.466 1.00 0.00 H new ATOM 0 HB ILE A 17 0.968 2.388 -14.669 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.644 5.408 -14.740 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.085 4.699 -14.038 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.848 3.389 -16.030 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.510 2.495 -14.641 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.433 4.273 -14.600 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.426 5.171 -16.451 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.496 3.420 -16.142 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.033 4.140 -16.854 1.00 0.00 H new ATOM 279 N VAL A 18 -1.604 1.949 -12.217 1.00 0.00 N ATOM 280 CA VAL A 18 -2.303 0.703 -11.796 1.00 0.00 C ATOM 281 C VAL A 18 -3.514 0.467 -12.700 1.00 0.00 C ATOM 282 O VAL A 18 -3.982 1.364 -13.373 1.00 0.00 O ATOM 283 CB VAL A 18 -2.768 0.843 -10.346 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.745 0.190 -9.415 1.00 0.00 C ATOM 285 CG2 VAL A 18 -2.899 2.327 -9.996 1.00 0.00 C ATOM 0 H VAL A 18 -2.209 2.756 -12.370 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.619 -0.142 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.734 0.352 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.077 0.290 -8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.649 -0.867 -9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.779 0.680 -9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.230 2.429 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.932 2.816 -10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.628 2.794 -10.659 1.00 0.00 H new ATOM 295 N PHE A 19 -4.027 -0.733 -12.722 1.00 0.00 N ATOM 296 CA PHE A 19 -5.207 -1.022 -13.583 1.00 0.00 C ATOM 297 C PHE A 19 -6.488 -0.890 -12.757 1.00 0.00 C ATOM 298 O PHE A 19 -6.499 -1.134 -11.567 1.00 0.00 O ATOM 299 CB PHE A 19 -5.101 -2.447 -14.132 1.00 0.00 C ATOM 300 CG PHE A 19 -4.300 -2.435 -15.412 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.183 -1.599 -15.532 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.674 -3.260 -16.480 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.441 -1.587 -16.719 1.00 0.00 C ATOM 304 CE2 PHE A 19 -3.931 -3.249 -17.667 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.815 -2.412 -17.786 1.00 0.00 C ATOM 0 H PHE A 19 -3.680 -1.525 -12.181 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.234 -0.313 -14.411 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.624 -3.096 -13.398 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.096 -2.852 -14.317 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.894 -0.963 -14.708 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.536 -3.905 -16.388 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.580 -0.941 -16.811 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.219 -3.886 -18.490 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.242 -2.403 -18.702 1.00 0.00 H new ATOM 315 N ALA A 20 -7.568 -0.503 -13.379 1.00 0.00 N ATOM 316 CA ALA A 20 -8.848 -0.355 -12.628 1.00 0.00 C ATOM 317 C ALA A 20 -10.017 -0.756 -13.531 1.00 0.00 C ATOM 318 O ALA A 20 -10.005 -0.515 -14.722 1.00 0.00 O ATOM 319 CB ALA A 20 -9.016 1.101 -12.191 1.00 0.00 C ATOM 0 H ALA A 20 -7.620 -0.283 -14.374 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.831 -0.998 -11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.951 1.210 -11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.183 1.387 -11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.034 1.745 -13.070 1.00 0.00 H new ATOM 325 N ALA A 21 -11.027 -1.365 -12.973 1.00 0.00 N ATOM 326 CA ALA A 21 -12.195 -1.779 -13.800 1.00 0.00 C ATOM 327 C ALA A 21 -12.982 -0.540 -14.230 1.00 0.00 C ATOM 328 O ALA A 21 -12.991 -0.168 -15.386 1.00 0.00 O ATOM 329 CB ALA A 21 -13.101 -2.699 -12.979 1.00 0.00 C ATOM 0 H ALA A 21 -11.094 -1.594 -11.981 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.843 -2.310 -14.684 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.956 -3.002 -13.584 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.541 -3.583 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.453 -2.168 -12.094 1.00 0.00 H new ATOM 335 N SER A 22 -13.643 0.104 -13.306 1.00 0.00 N ATOM 336 CA SER A 22 -14.428 1.319 -13.662 1.00 0.00 C ATOM 337 C SER A 22 -14.214 2.395 -12.596 1.00 0.00 C ATOM 338 O SER A 22 -13.996 2.100 -11.438 1.00 0.00 O ATOM 339 CB SER A 22 -15.913 0.962 -13.736 1.00 0.00 C ATOM 340 OG SER A 22 -16.053 -0.373 -14.202 1.00 0.00 O ATOM 0 H SER A 22 -13.673 -0.159 -12.321 1.00 0.00 H new ATOM 0 HA SER A 22 -14.096 1.696 -14.629 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.373 1.066 -12.753 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.431 1.649 -14.405 1.00 0.00 H new ATOM 0 HG SER A 22 -17.004 -0.605 -14.249 1.00 0.00 H new ATOM 346 N GLU A 23 -14.275 3.642 -12.977 1.00 0.00 N ATOM 347 CA GLU A 23 -14.075 4.735 -11.985 1.00 0.00 C ATOM 348 C GLU A 23 -15.185 4.676 -10.933 1.00 0.00 C ATOM 349 O GLU A 23 -14.967 4.954 -9.770 1.00 0.00 O ATOM 350 CB GLU A 23 -14.120 6.087 -12.699 1.00 0.00 C ATOM 351 CG GLU A 23 -12.970 6.965 -12.204 1.00 0.00 C ATOM 352 CD GLU A 23 -12.992 8.302 -12.947 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.878 8.489 -13.765 1.00 0.00 O ATOM 354 OE2 GLU A 23 -12.124 9.118 -12.684 1.00 0.00 O ATOM 0 H GLU A 23 -14.455 3.950 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.107 4.613 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.044 5.943 -13.777 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.074 6.579 -12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.062 7.132 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.017 6.461 -12.368 1.00 0.00 H new ATOM 361 N GLU A 24 -16.375 4.317 -11.331 1.00 0.00 N ATOM 362 CA GLU A 24 -17.497 4.242 -10.354 1.00 0.00 C ATOM 363 C GLU A 24 -17.104 3.320 -9.197 1.00 0.00 C ATOM 364 O GLU A 24 -17.096 3.719 -8.049 1.00 0.00 O ATOM 365 CB GLU A 24 -18.742 3.685 -11.049 1.00 0.00 C ATOM 366 CG GLU A 24 -19.747 3.214 -9.996 1.00 0.00 C ATOM 367 CD GLU A 24 -21.133 3.093 -10.632 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.209 3.113 -11.850 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.096 2.983 -9.891 1.00 0.00 O ATOM 0 H GLU A 24 -16.618 4.072 -12.291 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.711 5.239 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.193 4.451 -11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.467 2.856 -11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.438 2.252 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -19.777 3.919 -9.165 1.00 0.00 H new ATOM 376 N LEU A 25 -16.781 2.090 -9.489 1.00 0.00 N ATOM 377 CA LEU A 25 -16.391 1.146 -8.404 1.00 0.00 C ATOM 378 C LEU A 25 -15.326 1.796 -7.520 1.00 0.00 C ATOM 379 O LEU A 25 -15.512 1.966 -6.331 1.00 0.00 O ATOM 380 CB LEU A 25 -15.826 -0.135 -9.023 1.00 0.00 C ATOM 381 CG LEU A 25 -16.977 -1.044 -9.457 1.00 0.00 C ATOM 382 CD1 LEU A 25 -16.523 -1.925 -10.622 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.396 -1.931 -8.282 1.00 0.00 C ATOM 0 H LEU A 25 -16.770 1.698 -10.431 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.266 0.905 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.198 0.109 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.193 -0.652 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 25 -17.822 -0.432 -9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.344 -2.572 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.224 -1.295 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -15.677 -2.537 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.216 -2.579 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.550 -2.541 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.721 -1.305 -7.451 1.00 0.00 H new ATOM 395 N VAL A 26 -14.210 2.164 -8.090 1.00 0.00 N ATOM 396 CA VAL A 26 -13.136 2.804 -7.279 1.00 0.00 C ATOM 397 C VAL A 26 -13.764 3.769 -6.272 1.00 0.00 C ATOM 398 O VAL A 26 -13.601 3.626 -5.077 1.00 0.00 O ATOM 399 CB VAL A 26 -12.190 3.574 -8.203 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.454 4.648 -7.401 1.00 0.00 C ATOM 401 CG2 VAL A 26 -11.174 2.606 -8.812 1.00 0.00 C ATOM 0 H VAL A 26 -13.996 2.049 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.577 2.036 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.765 4.047 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.780 5.196 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.178 5.338 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.879 4.177 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.499 3.153 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.599 2.133 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.698 1.841 -9.384 1.00 0.00 H new ATOM 411 N ASP A 27 -14.480 4.751 -6.744 1.00 0.00 N ATOM 412 CA ASP A 27 -15.118 5.724 -5.813 1.00 0.00 C ATOM 413 C ASP A 27 -15.847 4.965 -4.703 1.00 0.00 C ATOM 414 O ASP A 27 -15.784 5.328 -3.545 1.00 0.00 O ATOM 415 CB ASP A 27 -16.119 6.587 -6.584 1.00 0.00 C ATOM 416 CG ASP A 27 -16.928 7.434 -5.599 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.495 7.563 -4.466 1.00 0.00 O ATOM 418 OD2 ASP A 27 -17.965 7.940 -5.996 1.00 0.00 O ATOM 0 H ASP A 27 -14.651 4.922 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.352 6.362 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.593 7.232 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.786 5.954 -7.169 1.00 0.00 H new ATOM 423 N GLU A 28 -16.538 3.913 -5.048 1.00 0.00 N ATOM 424 CA GLU A 28 -17.270 3.132 -4.011 1.00 0.00 C ATOM 425 C GLU A 28 -16.274 2.586 -2.985 1.00 0.00 C ATOM 426 O GLU A 28 -16.484 2.677 -1.792 1.00 0.00 O ATOM 427 CB GLU A 28 -18.007 1.966 -4.675 1.00 0.00 C ATOM 428 CG GLU A 28 -19.505 2.272 -4.726 1.00 0.00 C ATOM 429 CD GLU A 28 -20.185 1.331 -5.722 1.00 0.00 C ATOM 430 OE1 GLU A 28 -19.591 0.316 -6.047 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.289 1.640 -6.140 1.00 0.00 O ATOM 0 H GLU A 28 -16.627 3.561 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 28 -17.990 3.780 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -17.623 1.806 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.832 1.046 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -19.945 2.151 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -19.665 3.309 -5.022 1.00 0.00 H new ATOM 438 N TYR A 29 -15.189 2.022 -3.441 1.00 0.00 N ATOM 439 CA TYR A 29 -14.180 1.472 -2.490 1.00 0.00 C ATOM 440 C TYR A 29 -13.852 2.526 -1.431 1.00 0.00 C ATOM 441 O TYR A 29 -13.962 2.283 -0.246 1.00 0.00 O ATOM 442 CB TYR A 29 -12.907 1.104 -3.255 1.00 0.00 C ATOM 443 CG TYR A 29 -12.032 0.234 -2.385 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.455 -1.053 -2.032 1.00 0.00 C ATOM 445 CD2 TYR A 29 -10.798 0.713 -1.933 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.644 -1.860 -1.225 1.00 0.00 C ATOM 447 CE2 TYR A 29 -9.985 -0.093 -1.126 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.408 -1.380 -0.773 1.00 0.00 C ATOM 449 OH TYR A 29 -9.609 -2.175 0.022 1.00 0.00 O ATOM 0 H TYR A 29 -14.957 1.918 -4.429 1.00 0.00 H new ATOM 0 HA TYR A 29 -14.583 0.583 -2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.162 0.578 -4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.369 2.007 -3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.407 -1.423 -2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.472 1.706 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.971 -2.852 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.033 0.278 -0.776 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.974 -1.613 0.514 1.00 0.00 H new ATOM 459 N LEU A 30 -13.452 3.696 -1.848 1.00 0.00 N ATOM 460 CA LEU A 30 -13.119 4.764 -0.864 1.00 0.00 C ATOM 461 C LEU A 30 -14.289 4.946 0.105 1.00 0.00 C ATOM 462 O LEU A 30 -14.125 5.428 1.207 1.00 0.00 O ATOM 463 CB LEU A 30 -12.862 6.078 -1.606 1.00 0.00 C ATOM 464 CG LEU A 30 -11.837 5.847 -2.716 1.00 0.00 C ATOM 465 CD1 LEU A 30 -11.452 7.187 -3.344 1.00 0.00 C ATOM 466 CD2 LEU A 30 -10.590 5.183 -2.128 1.00 0.00 C ATOM 0 H LEU A 30 -13.341 3.958 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.226 4.480 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.792 6.457 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.497 6.834 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.269 5.200 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.721 7.021 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.340 7.661 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.020 7.836 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.858 5.018 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.159 5.830 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.863 4.227 -1.681 1.00 0.00 H new ATOM 478 N LYS A 31 -15.469 4.560 -0.297 1.00 0.00 N ATOM 479 CA LYS A 31 -16.648 4.710 0.601 1.00 0.00 C ATOM 480 C LYS A 31 -16.780 3.465 1.480 1.00 0.00 C ATOM 481 O LYS A 31 -17.316 3.516 2.569 1.00 0.00 O ATOM 482 CB LYS A 31 -17.914 4.875 -0.242 1.00 0.00 C ATOM 483 CG LYS A 31 -19.139 4.901 0.675 1.00 0.00 C ATOM 484 CD LYS A 31 -20.397 5.149 -0.161 1.00 0.00 C ATOM 485 CE LYS A 31 -20.848 6.601 0.013 1.00 0.00 C ATOM 486 NZ LYS A 31 -21.334 6.806 1.407 1.00 0.00 N ATOM 0 H LYS A 31 -15.667 4.147 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.515 5.589 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.860 5.797 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.998 4.055 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.226 3.956 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.028 5.684 1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.194 4.944 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.192 4.471 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.020 7.278 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.640 6.835 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.080 7.531 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -21.717 5.912 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.544 7.118 2.008 1.00 0.00 H new ATOM 500 N ASN A 32 -16.295 2.346 1.017 1.00 0.00 N ATOM 501 CA ASN A 32 -16.392 1.099 1.827 1.00 0.00 C ATOM 502 C ASN A 32 -15.023 0.420 1.882 1.00 0.00 C ATOM 503 O ASN A 32 -14.868 -0.718 1.483 1.00 0.00 O ATOM 504 CB ASN A 32 -17.407 0.152 1.183 1.00 0.00 C ATOM 505 CG ASN A 32 -17.818 -0.921 2.194 1.00 0.00 C ATOM 506 OD1 ASN A 32 -18.119 -0.616 3.331 1.00 0.00 O ATOM 507 ND2 ASN A 32 -17.844 -2.172 1.826 1.00 0.00 N ATOM 0 H ASN A 32 -15.836 2.241 0.112 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.716 1.345 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.283 0.711 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.974 -0.314 0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.117 -2.894 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.591 -2.428 0.872 1.00 0.00 H new ATOM 514 N PRO A 33 -14.038 1.117 2.376 1.00 0.00 N ATOM 515 CA PRO A 33 -12.649 0.586 2.494 1.00 0.00 C ATOM 516 C PRO A 33 -12.521 -0.461 3.604 1.00 0.00 C ATOM 517 O PRO A 33 -12.311 -0.136 4.755 1.00 0.00 O ATOM 518 CB PRO A 33 -11.812 1.822 2.827 1.00 0.00 C ATOM 519 CG PRO A 33 -12.759 2.786 3.462 1.00 0.00 C ATOM 520 CD PRO A 33 -14.143 2.496 2.880 1.00 0.00 C ATOM 0 HA PRO A 33 -12.332 0.079 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.995 1.572 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.364 2.246 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.763 2.667 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.461 3.814 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -14.921 2.585 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.394 3.194 2.082 1.00 0.00 H new ATOM 528 N SER A 34 -12.648 -1.715 3.266 1.00 0.00 N ATOM 529 CA SER A 34 -12.534 -2.780 4.301 1.00 0.00 C ATOM 530 C SER A 34 -12.115 -4.094 3.637 1.00 0.00 C ATOM 531 O SER A 34 -12.416 -5.168 4.121 1.00 0.00 O ATOM 532 CB SER A 34 -13.885 -2.967 4.993 1.00 0.00 C ATOM 533 OG SER A 34 -13.784 -4.017 5.945 1.00 0.00 O ATOM 0 H SER A 34 -12.826 -2.048 2.318 1.00 0.00 H new ATOM 0 HA SER A 34 -11.786 -2.490 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.185 -2.042 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.654 -3.201 4.257 1.00 0.00 H new ATOM 0 HG SER A 34 -13.355 -4.794 5.530 1.00 0.00 H new ATOM 539 N ILE A 35 -11.424 -4.017 2.534 1.00 0.00 N ATOM 540 CA ILE A 35 -10.986 -5.262 1.841 1.00 0.00 C ATOM 541 C ILE A 35 -12.213 -6.094 1.465 1.00 0.00 C ATOM 542 O ILE A 35 -13.318 -5.817 1.890 1.00 0.00 O ATOM 543 CB ILE A 35 -10.085 -6.075 2.773 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.940 -5.190 3.272 1.00 0.00 C ATOM 545 CG2 ILE A 35 -9.509 -7.270 2.012 1.00 0.00 C ATOM 546 CD1 ILE A 35 -8.275 -4.494 2.084 1.00 0.00 C ATOM 0 H ILE A 35 -11.143 -3.147 2.082 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.433 -5.000 0.939 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.668 -6.432 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.320 -4.449 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.208 -5.793 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.867 -7.849 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.323 -7.900 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.926 -6.914 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.460 -3.864 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.881 -5.243 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.010 -3.878 1.566 1.00 0.00 H new ATOM 558 N GLY A 36 -12.031 -7.113 0.670 1.00 0.00 N ATOM 559 CA GLY A 36 -13.188 -7.961 0.267 1.00 0.00 C ATOM 560 C GLY A 36 -13.766 -7.445 -1.052 1.00 0.00 C ATOM 561 O GLY A 36 -14.164 -8.210 -1.908 1.00 0.00 O ATOM 0 H GLY A 36 -11.131 -7.395 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.871 -8.998 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.953 -7.943 1.043 1.00 0.00 H new ATOM 565 N LYS A 37 -13.814 -6.152 -1.223 1.00 0.00 N ATOM 566 CA LYS A 37 -14.366 -5.588 -2.487 1.00 0.00 C ATOM 567 C LYS A 37 -13.219 -5.066 -3.356 1.00 0.00 C ATOM 568 O LYS A 37 -13.417 -4.665 -4.485 1.00 0.00 O ATOM 569 CB LYS A 37 -15.321 -4.438 -2.159 1.00 0.00 C ATOM 570 CG LYS A 37 -15.483 -3.540 -3.387 1.00 0.00 C ATOM 571 CD LYS A 37 -16.644 -2.570 -3.162 1.00 0.00 C ATOM 572 CE LYS A 37 -16.640 -1.506 -4.260 1.00 0.00 C ATOM 573 NZ LYS A 37 -15.732 -0.390 -3.868 1.00 0.00 N ATOM 0 H LYS A 37 -13.495 -5.462 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.906 -6.366 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.290 -4.832 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.934 -3.859 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.562 -2.986 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.669 -4.148 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.590 -3.111 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.553 -2.098 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.311 -1.943 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.650 -1.128 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.663 0.292 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.111 0.086 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.787 -0.769 -3.655 1.00 0.00 H new ATOM 587 N LEU A 38 -12.021 -5.069 -2.837 1.00 0.00 N ATOM 588 CA LEU A 38 -10.864 -4.573 -3.633 1.00 0.00 C ATOM 589 C LEU A 38 -10.613 -5.518 -4.810 1.00 0.00 C ATOM 590 O LEU A 38 -10.031 -5.141 -5.809 1.00 0.00 O ATOM 591 CB LEU A 38 -9.618 -4.523 -2.746 1.00 0.00 C ATOM 592 CG LEU A 38 -8.480 -3.836 -3.502 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.518 -2.332 -3.226 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.141 -4.407 -3.029 1.00 0.00 C ATOM 0 H LEU A 38 -11.794 -5.393 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.083 -3.574 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.836 -3.982 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.322 -5.532 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.595 -4.011 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.707 -1.843 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.473 -1.925 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.402 -2.155 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.327 -3.919 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.027 -4.230 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.113 -5.479 -3.224 1.00 0.00 H new ATOM 606 N SER A 39 -11.047 -6.744 -4.702 1.00 0.00 N ATOM 607 CA SER A 39 -10.832 -7.712 -5.816 1.00 0.00 C ATOM 608 C SER A 39 -11.820 -7.416 -6.945 1.00 0.00 C ATOM 609 O SER A 39 -11.518 -7.591 -8.109 1.00 0.00 O ATOM 610 CB SER A 39 -11.056 -9.135 -5.304 1.00 0.00 C ATOM 611 OG SER A 39 -9.797 -9.739 -5.034 1.00 0.00 O ATOM 0 H SER A 39 -11.541 -7.117 -3.891 1.00 0.00 H new ATOM 0 HA SER A 39 -9.813 -7.616 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.665 -9.117 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.602 -9.719 -6.045 1.00 0.00 H new ATOM 0 HG SER A 39 -9.936 -10.651 -4.704 1.00 0.00 H new ATOM 617 N GLU A 40 -12.999 -6.966 -6.614 1.00 0.00 N ATOM 618 CA GLU A 40 -14.005 -6.659 -7.669 1.00 0.00 C ATOM 619 C GLU A 40 -13.607 -5.372 -8.393 1.00 0.00 C ATOM 620 O GLU A 40 -13.933 -5.170 -9.546 1.00 0.00 O ATOM 621 CB GLU A 40 -15.382 -6.478 -7.026 1.00 0.00 C ATOM 622 CG GLU A 40 -16.470 -6.685 -8.081 1.00 0.00 C ATOM 623 CD GLU A 40 -17.738 -5.940 -7.661 1.00 0.00 C ATOM 624 OE1 GLU A 40 -18.468 -6.470 -6.838 1.00 0.00 O ATOM 625 OE2 GLU A 40 -17.957 -4.853 -8.167 1.00 0.00 O ATOM 0 H GLU A 40 -13.309 -6.798 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.044 -7.481 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.511 -7.190 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.465 -5.481 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.126 -6.321 -9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.682 -7.748 -8.196 1.00 0.00 H new ATOM 632 N VAL A 41 -12.904 -4.498 -7.726 1.00 0.00 N ATOM 633 CA VAL A 41 -12.486 -3.224 -8.376 1.00 0.00 C ATOM 634 C VAL A 41 -11.170 -3.442 -9.124 1.00 0.00 C ATOM 635 O VAL A 41 -11.109 -3.351 -10.335 1.00 0.00 O ATOM 636 CB VAL A 41 -12.294 -2.145 -7.310 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.980 -0.809 -7.984 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.576 -2.011 -6.485 1.00 0.00 C ATOM 0 H VAL A 41 -12.601 -4.611 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.256 -2.906 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.467 -2.424 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.843 -0.041 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.067 -0.904 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.805 -0.529 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.441 -1.242 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.402 -1.733 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.800 -2.963 -6.003 1.00 0.00 H new ATOM 648 N VAL A 42 -10.114 -3.732 -8.414 1.00 0.00 N ATOM 649 CA VAL A 42 -8.802 -3.956 -9.085 1.00 0.00 C ATOM 650 C VAL A 42 -8.859 -5.254 -9.894 1.00 0.00 C ATOM 651 O VAL A 42 -9.520 -6.201 -9.519 1.00 0.00 O ATOM 652 CB VAL A 42 -7.701 -4.060 -8.030 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.380 -4.434 -8.705 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.545 -2.713 -7.321 1.00 0.00 C ATOM 0 H VAL A 42 -10.103 -3.824 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.587 -3.121 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.968 -4.827 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.595 -4.508 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.489 -5.393 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.114 -3.668 -9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.760 -2.787 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.279 -1.947 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.485 -2.444 -6.839 1.00 0.00 H new ATOM 664 N GLU A 43 -8.170 -5.304 -11.001 1.00 0.00 N ATOM 665 CA GLU A 43 -8.186 -6.540 -11.833 1.00 0.00 C ATOM 666 C GLU A 43 -6.943 -7.378 -11.524 1.00 0.00 C ATOM 667 O GLU A 43 -7.036 -8.537 -11.171 1.00 0.00 O ATOM 668 CB GLU A 43 -8.189 -6.160 -13.315 1.00 0.00 C ATOM 669 CG GLU A 43 -9.598 -5.731 -13.729 1.00 0.00 C ATOM 670 CD GLU A 43 -10.554 -6.917 -13.592 1.00 0.00 C ATOM 671 OE1 GLU A 43 -10.247 -7.966 -14.135 1.00 0.00 O ATOM 672 OE2 GLU A 43 -11.576 -6.758 -12.945 1.00 0.00 O ATOM 0 H GLU A 43 -7.597 -4.543 -11.365 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.081 -7.119 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.483 -5.349 -13.495 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.863 -7.007 -13.919 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.936 -4.904 -13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.593 -5.372 -14.758 1.00 0.00 H new ATOM 679 N LEU A 44 -5.779 -6.801 -11.655 1.00 0.00 N ATOM 680 CA LEU A 44 -4.533 -7.565 -11.369 1.00 0.00 C ATOM 681 C LEU A 44 -3.950 -7.108 -10.030 1.00 0.00 C ATOM 682 O LEU A 44 -4.179 -5.999 -9.589 1.00 0.00 O ATOM 683 CB LEU A 44 -3.514 -7.313 -12.481 1.00 0.00 C ATOM 684 CG LEU A 44 -3.407 -8.556 -13.368 1.00 0.00 C ATOM 685 CD1 LEU A 44 -4.703 -8.728 -14.163 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.235 -8.391 -14.337 1.00 0.00 C ATOM 0 H LEU A 44 -5.638 -5.834 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.763 -8.629 -11.321 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.817 -6.453 -13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.541 -7.076 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.243 -9.434 -12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.628 -9.613 -14.795 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.540 -8.844 -13.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.866 -7.849 -14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.158 -9.276 -14.969 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.400 -7.513 -14.961 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.311 -8.267 -13.772 1.00 0.00 H new ATOM 698 N PHE A 45 -3.198 -7.953 -9.379 1.00 0.00 N ATOM 699 CA PHE A 45 -2.602 -7.566 -8.071 1.00 0.00 C ATOM 700 C PHE A 45 -1.110 -7.275 -8.255 1.00 0.00 C ATOM 701 O PHE A 45 -0.263 -7.977 -7.739 1.00 0.00 O ATOM 702 CB PHE A 45 -2.777 -8.711 -7.071 1.00 0.00 C ATOM 703 CG PHE A 45 -4.010 -8.464 -6.234 1.00 0.00 C ATOM 704 CD1 PHE A 45 -5.213 -8.099 -6.851 1.00 0.00 C ATOM 705 CD2 PHE A 45 -3.950 -8.602 -4.842 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.355 -7.871 -6.075 1.00 0.00 C ATOM 707 CE2 PHE A 45 -5.094 -8.374 -4.067 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.296 -8.008 -4.683 1.00 0.00 C ATOM 0 H PHE A 45 -2.971 -8.895 -9.698 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.103 -6.674 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.868 -9.660 -7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.898 -8.786 -6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.259 -7.994 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.022 -8.884 -4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.283 -7.589 -6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.049 -8.481 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.178 -7.831 -4.085 1.00 0.00 H new ATOM 718 N GLU A 46 -0.783 -6.245 -8.987 1.00 0.00 N ATOM 719 CA GLU A 46 0.652 -5.911 -9.203 1.00 0.00 C ATOM 720 C GLU A 46 0.784 -4.428 -9.556 1.00 0.00 C ATOM 721 O GLU A 46 -0.150 -3.806 -10.021 1.00 0.00 O ATOM 722 CB GLU A 46 1.206 -6.759 -10.351 1.00 0.00 C ATOM 723 CG GLU A 46 2.726 -6.594 -10.422 1.00 0.00 C ATOM 724 CD GLU A 46 3.390 -7.972 -10.465 1.00 0.00 C ATOM 725 OE1 GLU A 46 3.404 -8.632 -9.439 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.871 -8.344 -11.522 1.00 0.00 O ATOM 0 H GLU A 46 -1.448 -5.621 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 46 1.214 -6.119 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.950 -7.808 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.752 -6.454 -11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.999 -6.020 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.082 -6.034 -9.557 1.00 0.00 H new ATOM 733 N VAL A 47 1.937 -3.857 -9.338 1.00 0.00 N ATOM 734 CA VAL A 47 2.127 -2.415 -9.661 1.00 0.00 C ATOM 735 C VAL A 47 2.933 -2.284 -10.955 1.00 0.00 C ATOM 736 O VAL A 47 3.864 -3.026 -11.196 1.00 0.00 O ATOM 737 CB VAL A 47 2.881 -1.732 -8.520 1.00 0.00 C ATOM 738 CG1 VAL A 47 3.346 -0.346 -8.972 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.955 -1.589 -7.311 1.00 0.00 C ATOM 0 H VAL A 47 2.755 -4.327 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 47 1.154 -1.940 -9.789 1.00 0.00 H new ATOM 0 HB VAL A 47 3.747 -2.334 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.884 0.141 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.006 -0.447 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.480 0.257 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.492 -1.102 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.089 -0.987 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.624 -2.576 -6.988 1.00 0.00 H new ATOM 749 N PHE A 48 2.582 -1.345 -11.792 1.00 0.00 N ATOM 750 CA PHE A 48 3.328 -1.168 -13.069 1.00 0.00 C ATOM 751 C PHE A 48 4.035 0.188 -13.063 1.00 0.00 C ATOM 752 O PHE A 48 3.807 1.014 -12.201 1.00 0.00 O ATOM 753 CB PHE A 48 2.350 -1.228 -14.243 1.00 0.00 C ATOM 754 CG PHE A 48 1.417 -2.401 -14.064 1.00 0.00 C ATOM 755 CD1 PHE A 48 0.345 -2.313 -13.168 1.00 0.00 C ATOM 756 CD2 PHE A 48 1.625 -3.579 -14.792 1.00 0.00 C ATOM 757 CE1 PHE A 48 -0.520 -3.401 -13.001 1.00 0.00 C ATOM 758 CE2 PHE A 48 0.761 -4.668 -14.625 1.00 0.00 C ATOM 759 CZ PHE A 48 -0.312 -4.579 -13.730 1.00 0.00 C ATOM 0 H PHE A 48 1.811 -0.693 -11.646 1.00 0.00 H new ATOM 0 HA PHE A 48 4.067 -1.962 -13.171 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.779 -0.301 -14.302 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.897 -1.325 -15.181 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.185 -1.405 -12.605 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.452 -3.648 -15.483 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.347 -3.332 -12.310 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.922 -5.576 -15.186 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.979 -5.418 -13.602 1.00 0.00 H new ATOM 769 N THR A 49 4.893 0.425 -14.017 1.00 0.00 N ATOM 770 CA THR A 49 5.614 1.729 -14.064 1.00 0.00 C ATOM 771 C THR A 49 5.674 2.227 -15.510 1.00 0.00 C ATOM 772 O THR A 49 5.644 1.451 -16.444 1.00 0.00 O ATOM 773 CB THR A 49 7.036 1.545 -13.528 1.00 0.00 C ATOM 774 OG1 THR A 49 7.949 1.508 -14.617 1.00 0.00 O ATOM 775 CG2 THR A 49 7.121 0.235 -12.743 1.00 0.00 C ATOM 0 H THR A 49 5.126 -0.227 -14.766 1.00 0.00 H new ATOM 0 HA THR A 49 5.086 2.459 -13.450 1.00 0.00 H new ATOM 0 HB THR A 49 7.288 2.377 -12.870 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.860 1.392 -14.276 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.134 0.104 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.420 0.265 -11.909 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.870 -0.599 -13.398 1.00 0.00 H new ATOM 783 N PRO A 50 5.757 3.518 -15.686 1.00 0.00 N ATOM 784 CA PRO A 50 5.823 4.145 -17.037 1.00 0.00 C ATOM 785 C PRO A 50 7.179 3.920 -17.714 1.00 0.00 C ATOM 786 O PRO A 50 8.217 4.218 -17.158 1.00 0.00 O ATOM 787 CB PRO A 50 5.605 5.634 -16.760 1.00 0.00 C ATOM 788 CG PRO A 50 6.037 5.841 -15.344 1.00 0.00 C ATOM 789 CD PRO A 50 5.796 4.521 -14.611 1.00 0.00 C ATOM 0 HA PRO A 50 5.087 3.717 -17.717 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.189 6.250 -17.443 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.559 5.910 -16.896 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.089 6.122 -15.298 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.471 6.649 -14.881 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.592 4.310 -13.897 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.862 4.541 -14.050 1.00 0.00 H new ATOM 911 N LEU A 60 4.755 -2.235 -20.675 1.00 0.00 N ATOM 912 CA LEU A 60 5.706 -1.370 -19.921 1.00 0.00 C ATOM 913 C LEU A 60 6.568 -2.240 -19.004 1.00 0.00 C ATOM 914 O LEU A 60 6.634 -3.444 -19.155 1.00 0.00 O ATOM 915 CB LEU A 60 4.921 -0.362 -19.078 1.00 0.00 C ATOM 916 CG LEU A 60 3.726 0.153 -19.880 1.00 0.00 C ATOM 917 CD1 LEU A 60 2.465 -0.606 -19.463 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.534 1.646 -19.606 1.00 0.00 C ATOM 0 HA LEU A 60 6.346 -0.836 -20.623 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.578 -0.832 -18.156 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.566 0.469 -18.792 1.00 0.00 H new ATOM 0 HG LEU A 60 3.909 -0.002 -20.943 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.613 -0.238 -20.035 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.600 -1.670 -19.657 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.282 -0.451 -18.400 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.682 2.014 -20.178 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.351 1.800 -18.543 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.432 2.189 -19.902 1.00 0.00 H new ATOM 930 N GLY A 61 7.231 -1.641 -18.052 1.00 0.00 N ATOM 931 CA GLY A 61 8.088 -2.434 -17.127 1.00 0.00 C ATOM 932 C GLY A 61 7.363 -2.624 -15.794 1.00 0.00 C ATOM 933 O GLY A 61 6.216 -2.253 -15.642 1.00 0.00 O ATOM 0 H GLY A 61 7.216 -0.637 -17.875 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.318 -3.403 -17.569 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.038 -1.923 -16.967 1.00 0.00 H new ATOM 937 N ALA A 62 8.023 -3.200 -14.826 1.00 0.00 N ATOM 938 CA ALA A 62 7.370 -3.413 -13.504 1.00 0.00 C ATOM 939 C ALA A 62 8.254 -2.829 -12.400 1.00 0.00 C ATOM 940 O ALA A 62 9.462 -2.779 -12.519 1.00 0.00 O ATOM 941 CB ALA A 62 7.178 -4.912 -13.264 1.00 0.00 C ATOM 0 H ALA A 62 8.985 -3.532 -14.894 1.00 0.00 H new ATOM 0 HA ALA A 62 6.399 -2.917 -13.494 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.700 -5.067 -12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.549 -5.329 -14.051 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.148 -5.409 -13.274 1.00 0.00 H new ATOM 947 N ALA A 63 7.662 -2.386 -11.324 1.00 0.00 N ATOM 948 CA ALA A 63 8.469 -1.806 -10.214 1.00 0.00 C ATOM 949 C ALA A 63 8.869 -2.916 -9.241 1.00 0.00 C ATOM 950 O ALA A 63 8.043 -3.681 -8.782 1.00 0.00 O ATOM 951 CB ALA A 63 7.639 -0.754 -9.475 1.00 0.00 C ATOM 0 H ALA A 63 6.654 -2.401 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 63 9.366 -1.340 -10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.229 -0.330 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.354 0.037 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.742 -1.219 -9.067 1.00 0.00 H new ATOM 957 N SER A 64 10.130 -3.010 -8.920 1.00 0.00 N ATOM 958 CA SER A 64 10.582 -4.070 -7.976 1.00 0.00 C ATOM 959 C SER A 64 10.055 -3.763 -6.573 1.00 0.00 C ATOM 960 O SER A 64 9.868 -2.619 -6.205 1.00 0.00 O ATOM 961 CB SER A 64 12.110 -4.111 -7.948 1.00 0.00 C ATOM 962 OG SER A 64 12.622 -2.880 -8.440 1.00 0.00 O ATOM 0 H SER A 64 10.867 -2.398 -9.271 1.00 0.00 H new ATOM 0 HA SER A 64 10.199 -5.036 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.462 -4.284 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.474 -4.939 -8.556 1.00 0.00 H new ATOM 0 HG SER A 64 13.602 -2.902 -8.422 1.00 0.00 H new ATOM 968 N LYS A 65 9.814 -4.774 -5.784 1.00 0.00 N ATOM 969 CA LYS A 65 9.299 -4.539 -4.406 1.00 0.00 C ATOM 970 C LYS A 65 10.176 -3.501 -3.703 1.00 0.00 C ATOM 971 O LYS A 65 9.743 -2.819 -2.797 1.00 0.00 O ATOM 972 CB LYS A 65 9.329 -5.851 -3.619 1.00 0.00 C ATOM 973 CG LYS A 65 10.772 -6.179 -3.228 1.00 0.00 C ATOM 974 CD LYS A 65 10.942 -7.696 -3.125 1.00 0.00 C ATOM 975 CE LYS A 65 12.231 -8.016 -2.367 1.00 0.00 C ATOM 976 NZ LYS A 65 12.262 -9.467 -2.029 1.00 0.00 N ATOM 0 H LYS A 65 9.952 -5.753 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 65 8.274 -4.171 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.709 -5.766 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.912 -6.658 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.461 -5.775 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.017 -5.710 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.087 -8.134 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.975 -8.137 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.097 -7.755 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.288 -7.419 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.139 -9.685 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.443 -9.702 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.227 -10.028 -2.904 1.00 0.00 H new ATOM 990 N ALA A 66 11.409 -3.377 -4.114 1.00 0.00 N ATOM 991 CA ALA A 66 12.313 -2.384 -3.468 1.00 0.00 C ATOM 992 C ALA A 66 11.836 -0.969 -3.801 1.00 0.00 C ATOM 993 O ALA A 66 11.809 -0.098 -2.955 1.00 0.00 O ATOM 994 CB ALA A 66 13.738 -2.578 -3.990 1.00 0.00 C ATOM 0 H ALA A 66 11.829 -3.920 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 66 12.299 -2.527 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.400 -1.852 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.078 -3.586 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.753 -2.434 -5.070 1.00 0.00 H new ATOM 1000 N GLN A 67 11.461 -0.733 -5.028 1.00 0.00 N ATOM 1001 CA GLN A 67 10.986 0.626 -5.414 1.00 0.00 C ATOM 1002 C GLN A 67 9.722 0.969 -4.623 1.00 0.00 C ATOM 1003 O GLN A 67 9.692 1.918 -3.865 1.00 0.00 O ATOM 1004 CB GLN A 67 10.674 0.651 -6.912 1.00 0.00 C ATOM 1005 CG GLN A 67 10.089 2.013 -7.290 1.00 0.00 C ATOM 1006 CD GLN A 67 10.743 2.508 -8.581 1.00 0.00 C ATOM 1007 OE1 GLN A 67 11.934 2.355 -8.771 1.00 0.00 O ATOM 1008 NE2 GLN A 67 10.011 3.100 -9.484 1.00 0.00 N ATOM 0 H GLN A 67 11.463 -1.422 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 67 11.762 1.359 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.581 0.461 -7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.968 -0.141 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.010 1.933 -7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.258 2.729 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.012 3.229 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.438 3.434 -10.348 1.00 0.00 H new ATOM 1017 N VAL A 68 8.679 0.205 -4.795 1.00 0.00 N ATOM 1018 CA VAL A 68 7.418 0.490 -4.053 1.00 0.00 C ATOM 1019 C VAL A 68 7.748 0.839 -2.601 1.00 0.00 C ATOM 1020 O VAL A 68 7.267 1.816 -2.063 1.00 0.00 O ATOM 1021 CB VAL A 68 6.517 -0.747 -4.088 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.138 -0.389 -3.529 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.371 -1.228 -5.533 1.00 0.00 C ATOM 0 H VAL A 68 8.645 -0.603 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 68 6.903 1.330 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 68 6.960 -1.538 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.496 -1.269 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.241 -0.043 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.694 0.401 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.730 -2.109 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.926 -0.437 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.353 -1.481 -5.933 1.00 0.00 H new ATOM 1033 N GLU A 69 8.565 0.048 -1.960 1.00 0.00 N ATOM 1034 CA GLU A 69 8.925 0.335 -0.544 1.00 0.00 C ATOM 1035 C GLU A 69 9.315 1.808 -0.404 1.00 0.00 C ATOM 1036 O GLU A 69 9.218 2.388 0.659 1.00 0.00 O ATOM 1037 CB GLU A 69 10.105 -0.546 -0.127 1.00 0.00 C ATOM 1038 CG GLU A 69 9.602 -1.958 0.182 1.00 0.00 C ATOM 1039 CD GLU A 69 10.775 -2.828 0.639 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.540 -2.367 1.472 1.00 0.00 O ATOM 1041 OE2 GLU A 69 10.889 -3.939 0.150 1.00 0.00 O ATOM 0 H GLU A 69 8.999 -0.785 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 69 8.069 0.123 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.848 -0.579 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.597 -0.123 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.838 -1.922 0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.137 -2.392 -0.703 1.00 0.00 H new ATOM 1048 N ASN A 70 9.755 2.419 -1.470 1.00 0.00 N ATOM 1049 CA ASN A 70 10.150 3.854 -1.397 1.00 0.00 C ATOM 1050 C ASN A 70 8.896 4.730 -1.392 1.00 0.00 C ATOM 1051 O ASN A 70 8.928 5.875 -0.986 1.00 0.00 O ATOM 1052 CB ASN A 70 11.013 4.207 -2.610 1.00 0.00 C ATOM 1053 CG ASN A 70 12.157 5.126 -2.173 1.00 0.00 C ATOM 1054 OD1 ASN A 70 13.282 4.690 -2.032 1.00 0.00 O ATOM 1055 ND2 ASN A 70 11.915 6.389 -1.952 1.00 0.00 N ATOM 0 H ASN A 70 9.858 1.987 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 70 10.718 4.028 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.414 3.299 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.407 4.700 -3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.670 7.010 -1.661 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.971 6.756 -2.070 1.00 0.00 H new ATOM 1062 N GLU A 71 7.790 4.202 -1.840 1.00 0.00 N ATOM 1063 CA GLU A 71 6.535 5.005 -1.861 1.00 0.00 C ATOM 1064 C GLU A 71 5.761 4.775 -0.561 1.00 0.00 C ATOM 1065 O GLU A 71 5.597 5.670 0.243 1.00 0.00 O ATOM 1066 CB GLU A 71 5.674 4.577 -3.051 1.00 0.00 C ATOM 1067 CG GLU A 71 6.495 4.675 -4.337 1.00 0.00 C ATOM 1068 CD GLU A 71 6.452 6.111 -4.863 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.525 6.426 -5.592 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.346 6.871 -4.529 1.00 0.00 O ATOM 0 H GLU A 71 7.701 3.249 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 71 6.782 6.063 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.321 3.555 -2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.791 5.212 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.526 4.377 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.099 3.990 -5.087 1.00 0.00 H new ATOM 1077 N PHE A 72 5.281 3.579 -0.350 1.00 0.00 N ATOM 1078 CA PHE A 72 4.517 3.293 0.898 1.00 0.00 C ATOM 1079 C PHE A 72 4.568 1.792 1.193 1.00 0.00 C ATOM 1080 O PHE A 72 3.566 1.107 1.145 1.00 0.00 O ATOM 1081 CB PHE A 72 3.062 3.728 0.715 1.00 0.00 C ATOM 1082 CG PHE A 72 2.720 3.739 -0.756 1.00 0.00 C ATOM 1083 CD1 PHE A 72 3.157 2.698 -1.584 1.00 0.00 C ATOM 1084 CD2 PHE A 72 1.966 4.790 -1.292 1.00 0.00 C ATOM 1085 CE1 PHE A 72 2.841 2.709 -2.948 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.650 4.800 -2.656 1.00 0.00 C ATOM 1087 CZ PHE A 72 2.087 3.759 -3.484 1.00 0.00 C ATOM 0 H PHE A 72 5.385 2.789 -0.987 1.00 0.00 H new ATOM 0 HA PHE A 72 4.958 3.842 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.398 3.048 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.912 4.720 1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.738 1.887 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.628 5.593 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.179 1.907 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.069 5.611 -3.070 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.842 3.766 -4.536 1.00 0.00 H new ATOM 1097 N GLY A 73 5.727 1.277 1.498 1.00 0.00 N ATOM 1098 CA GLY A 73 5.840 -0.179 1.797 1.00 0.00 C ATOM 1099 C GLY A 73 7.041 -0.423 2.712 1.00 0.00 C ATOM 1100 O GLY A 73 8.135 0.041 2.453 1.00 0.00 O ATOM 0 H GLY A 73 6.600 1.801 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.927 -0.534 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.955 -0.743 0.871 1.00 0.00 H new ATOM 1104 N LYS A 74 6.849 -1.147 3.779 1.00 0.00 N ATOM 1105 CA LYS A 74 7.980 -1.420 4.710 1.00 0.00 C ATOM 1106 C LYS A 74 7.604 -2.572 5.644 1.00 0.00 C ATOM 1107 O LYS A 74 8.455 -3.267 6.161 1.00 0.00 O ATOM 1108 CB LYS A 74 8.274 -0.167 5.537 1.00 0.00 C ATOM 1109 CG LYS A 74 7.040 0.202 6.363 1.00 0.00 C ATOM 1110 CD LYS A 74 7.040 1.707 6.639 1.00 0.00 C ATOM 1111 CE LYS A 74 6.158 2.004 7.853 1.00 0.00 C ATOM 1112 NZ LYS A 74 4.726 1.832 7.480 1.00 0.00 N ATOM 0 H LYS A 74 5.957 -1.562 4.047 1.00 0.00 H new ATOM 0 HA LYS A 74 8.866 -1.692 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.125 -0.344 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.545 0.660 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.134 -0.080 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.040 -0.351 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.057 2.054 6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.671 2.247 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.414 1.335 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.334 3.021 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.125 2.050 8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.491 2.476 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.561 0.850 7.181 1.00 0.00 H new ATOM 1126 N GLY A 75 6.335 -2.779 5.864 1.00 0.00 N ATOM 1127 CA GLY A 75 5.906 -3.887 6.765 1.00 0.00 C ATOM 1128 C GLY A 75 4.489 -4.326 6.397 1.00 0.00 C ATOM 1129 O GLY A 75 4.074 -5.430 6.689 1.00 0.00 O ATOM 0 H GLY A 75 5.577 -2.230 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.593 -4.728 6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.938 -3.558 7.804 1.00 0.00 H new ATOM 1133 N LYS A 76 3.739 -3.470 5.758 1.00 0.00 N ATOM 1134 CA LYS A 76 2.348 -3.839 5.371 1.00 0.00 C ATOM 1135 C LYS A 76 2.388 -4.852 4.225 1.00 0.00 C ATOM 1136 O LYS A 76 3.415 -5.434 3.934 1.00 0.00 O ATOM 1137 CB LYS A 76 1.594 -2.587 4.918 1.00 0.00 C ATOM 1138 CG LYS A 76 1.541 -1.580 6.068 1.00 0.00 C ATOM 1139 CD LYS A 76 1.059 -0.226 5.541 1.00 0.00 C ATOM 1140 CE LYS A 76 0.925 0.758 6.703 1.00 0.00 C ATOM 1141 NZ LYS A 76 1.145 0.039 7.990 1.00 0.00 N ATOM 0 H LYS A 76 4.030 -2.531 5.487 1.00 0.00 H new ATOM 0 HA LYS A 76 1.839 -4.280 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.090 -2.143 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.584 -2.851 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.869 -1.938 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.528 -1.476 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.763 0.160 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.100 -0.341 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.650 1.565 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.064 1.216 6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.004 0.696 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.469 -0.748 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.115 -0.334 8.018 1.00 0.00 H new ATOM 1155 N LYS A 77 1.280 -5.066 3.572 1.00 0.00 N ATOM 1156 CA LYS A 77 1.257 -6.041 2.444 1.00 0.00 C ATOM 1157 C LYS A 77 1.093 -5.286 1.123 1.00 0.00 C ATOM 1158 O LYS A 77 1.326 -4.096 1.043 1.00 0.00 O ATOM 1159 CB LYS A 77 0.084 -7.006 2.629 1.00 0.00 C ATOM 1160 CG LYS A 77 0.426 -8.019 3.724 1.00 0.00 C ATOM 1161 CD LYS A 77 -0.807 -8.871 4.034 1.00 0.00 C ATOM 1162 CE LYS A 77 -0.643 -9.526 5.408 1.00 0.00 C ATOM 1163 NZ LYS A 77 0.535 -10.439 5.384 1.00 0.00 N ATOM 0 H LYS A 77 0.390 -4.609 3.770 1.00 0.00 H new ATOM 0 HA LYS A 77 2.191 -6.603 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.816 -6.454 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.127 -7.523 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.249 -8.656 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.758 -7.500 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.703 -8.251 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.936 -9.636 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.509 -8.762 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.543 -10.083 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.522 -11.045 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.497 -11.033 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.410 -9.877 5.375 1.00 0.00 H new ATOM 1177 N ILE A 78 0.696 -5.969 0.084 1.00 0.00 N ATOM 1178 CA ILE A 78 0.519 -5.290 -1.231 1.00 0.00 C ATOM 1179 C ILE A 78 -0.923 -4.787 -1.351 1.00 0.00 C ATOM 1180 O ILE A 78 -1.172 -3.686 -1.799 1.00 0.00 O ATOM 1181 CB ILE A 78 0.843 -6.283 -2.359 1.00 0.00 C ATOM 1182 CG1 ILE A 78 1.727 -5.594 -3.404 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -0.445 -6.779 -3.028 1.00 0.00 C ATOM 1184 CD1 ILE A 78 0.919 -4.527 -4.144 1.00 0.00 C ATOM 0 H ILE A 78 0.487 -6.967 0.089 1.00 0.00 H new ATOM 0 HA ILE A 78 1.194 -4.437 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 78 1.368 -7.138 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.591 -5.138 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.110 -6.329 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.195 -7.481 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.071 -7.278 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.986 -5.931 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.552 -4.040 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.070 -4.994 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.558 -3.785 -3.432 1.00 0.00 H new ATOM 1196 N GLU A 79 -1.875 -5.585 -0.952 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.297 -5.152 -1.042 1.00 0.00 C ATOM 1198 C GLU A 79 -3.449 -3.762 -0.421 1.00 0.00 C ATOM 1199 O GLU A 79 -3.930 -2.839 -1.049 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.183 -6.147 -0.288 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.303 -7.106 0.517 1.00 0.00 C ATOM 1202 CD GLU A 79 -2.674 -8.135 -0.425 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -3.044 -8.148 -1.588 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -1.833 -8.891 0.032 1.00 0.00 O ATOM 0 H GLU A 79 -1.729 -6.518 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.599 -5.117 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.862 -5.614 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.800 -6.706 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.524 -6.550 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.898 -7.610 1.278 1.00 0.00 H new ATOM 1211 N GLU A 80 -3.042 -3.604 0.809 1.00 0.00 N ATOM 1212 CA GLU A 80 -3.164 -2.273 1.469 1.00 0.00 C ATOM 1213 C GLU A 80 -2.440 -1.218 0.629 1.00 0.00 C ATOM 1214 O GLU A 80 -2.975 -0.166 0.341 1.00 0.00 O ATOM 1215 CB GLU A 80 -2.535 -2.335 2.862 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.931 -3.646 3.543 1.00 0.00 C ATOM 1217 CD GLU A 80 -4.435 -3.874 3.377 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -5.188 -2.963 3.677 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -4.807 -4.957 2.954 1.00 0.00 O ATOM 0 H GLU A 80 -2.631 -4.338 1.385 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.217 -2.007 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.450 -2.266 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.867 -1.487 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.376 -4.477 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.672 -3.611 4.601 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.226 -1.491 0.235 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.469 -0.503 -0.584 1.00 0.00 C ATOM 1228 C VAL A 81 -1.381 0.059 -1.678 1.00 0.00 C ATOM 1229 O VAL A 81 -1.549 1.256 -1.804 1.00 0.00 O ATOM 1230 CB VAL A 81 0.734 -1.193 -1.230 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.260 -0.333 -2.381 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.838 -1.373 -0.185 1.00 0.00 C ATOM 0 H VAL A 81 -0.726 -2.355 0.445 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.124 0.310 0.055 1.00 0.00 H new ATOM 0 HB VAL A 81 0.431 -2.167 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.117 -0.825 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.475 -0.202 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.564 0.641 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.696 -1.865 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.140 -0.398 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.465 -1.985 0.636 1.00 0.00 H new ATOM 1242 N ILE A 82 -1.970 -0.794 -2.469 1.00 0.00 N ATOM 1243 CA ILE A 82 -2.868 -0.307 -3.554 1.00 0.00 C ATOM 1244 C ILE A 82 -4.002 0.520 -2.945 1.00 0.00 C ATOM 1245 O ILE A 82 -4.452 1.492 -3.520 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.458 -1.504 -4.304 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.331 -2.274 -4.998 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.456 -1.009 -5.351 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.714 -3.750 -5.107 1.00 0.00 C ATOM 0 H ILE A 82 -1.869 -1.807 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.297 0.312 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.968 -2.160 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.150 -1.860 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.404 -2.169 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.876 -1.861 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.258 -0.459 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.947 -0.353 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.912 -4.298 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.873 -4.159 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.631 -3.846 -5.689 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.468 0.144 -1.786 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.573 0.910 -1.143 1.00 0.00 C ATOM 1263 C ASP A 83 -5.184 2.386 -1.047 1.00 0.00 C ATOM 1264 O ASP A 83 -5.939 3.263 -1.419 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.827 0.358 0.261 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.170 0.872 0.778 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.428 2.056 0.626 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.920 0.076 1.319 1.00 0.00 O ATOM 0 H ASP A 83 -4.132 -0.660 -1.256 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.478 0.811 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.827 -0.732 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.026 0.664 0.934 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.011 2.670 -0.550 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.576 4.090 -0.430 1.00 0.00 C ATOM 1275 C LEU A 84 -3.623 4.758 -1.806 1.00 0.00 C ATOM 1276 O LEU A 84 -4.249 5.782 -1.989 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.146 4.141 0.113 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.145 3.738 1.589 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.778 3.164 1.961 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.432 4.969 2.452 1.00 0.00 C ATOM 0 H LEU A 84 -3.335 1.980 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.243 4.617 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.505 3.470 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.738 5.145 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.914 2.984 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.778 2.877 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.572 2.288 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.009 3.917 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.432 4.684 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.662 5.722 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.407 5.380 2.188 1.00 0.00 H new ATOM 1292 N ILE A 85 -2.964 4.185 -2.776 1.00 0.00 N ATOM 1293 CA ILE A 85 -2.971 4.787 -4.139 1.00 0.00 C ATOM 1294 C ILE A 85 -4.389 5.242 -4.491 1.00 0.00 C ATOM 1295 O ILE A 85 -4.594 6.323 -5.004 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.502 3.747 -5.158 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.994 3.531 -5.008 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.806 4.244 -6.573 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.540 2.414 -5.948 1.00 0.00 C ATOM 0 H ILE A 85 -2.421 3.326 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.299 5.645 -4.159 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.025 2.807 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.460 4.453 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.754 3.272 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.472 3.503 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.879 4.399 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.284 5.185 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.534 2.262 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.064 1.492 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.765 2.691 -6.978 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.370 4.425 -4.217 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.772 4.812 -4.537 1.00 0.00 C ATOM 1313 C LEU A 86 -7.214 5.945 -3.608 1.00 0.00 C ATOM 1314 O LEU A 86 -8.064 6.744 -3.948 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.691 3.605 -4.341 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.232 2.459 -5.246 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -8.003 1.187 -4.891 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.500 2.828 -6.707 1.00 0.00 C ATOM 0 H LEU A 86 -5.260 3.507 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.828 5.148 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.674 3.288 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.720 3.877 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.165 2.287 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.676 0.371 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.813 0.925 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.070 1.357 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.174 2.013 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.567 2.999 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.950 3.734 -6.960 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.644 6.020 -2.437 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.033 7.101 -1.488 1.00 0.00 C ATOM 1332 C ARG A 87 -6.948 8.456 -2.193 1.00 0.00 C ATOM 1333 O ARG A 87 -7.655 9.385 -1.859 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.084 7.091 -0.287 1.00 0.00 C ATOM 1335 CG ARG A 87 -6.744 7.810 0.892 1.00 0.00 C ATOM 1336 CD ARG A 87 -7.555 6.806 1.713 1.00 0.00 C ATOM 1337 NE ARG A 87 -8.848 7.427 2.117 1.00 0.00 N ATOM 1338 CZ ARG A 87 -9.820 6.678 2.562 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -9.658 5.386 2.655 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -10.953 7.220 2.917 1.00 0.00 N ATOM 0 H ARG A 87 -5.926 5.380 -2.096 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.054 6.933 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.841 6.065 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.146 7.582 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.984 8.278 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.393 8.607 0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.739 5.905 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.993 6.503 2.596 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.973 8.437 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.772 4.962 2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.417 4.801 3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.079 8.230 2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.712 6.634 3.265 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.087 8.576 -3.167 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.959 9.872 -3.890 1.00 0.00 C ATOM 1356 C ASN A 88 -6.381 9.686 -5.350 1.00 0.00 C ATOM 1357 O ASN A 88 -7.503 9.965 -5.722 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.504 10.346 -3.835 1.00 0.00 C ATOM 1359 CG ASN A 88 -3.682 9.370 -2.992 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.267 9.693 -1.897 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.427 8.178 -3.460 1.00 0.00 N ATOM 0 H ASN A 88 -5.468 7.834 -3.492 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.601 10.616 -3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.092 10.409 -4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.452 11.347 -3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.880 7.519 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.775 7.906 -4.379 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.491 9.217 -6.181 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.842 9.015 -7.615 1.00 0.00 C ATOM 1370 C GLY A 89 -6.033 10.374 -8.290 1.00 0.00 C ATOM 1371 O GLY A 89 -6.778 11.211 -7.820 1.00 0.00 O ATOM 0 H GLY A 89 -4.535 8.965 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.054 8.455 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.755 8.425 -7.697 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.365 10.602 -9.387 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.509 11.908 -10.090 1.00 0.00 C ATOM 1377 C LYS A 90 -5.512 13.040 -9.061 1.00 0.00 C ATOM 1378 O LYS A 90 -6.435 13.828 -8.993 1.00 0.00 O ATOM 1379 CB LYS A 90 -6.826 11.925 -10.871 1.00 0.00 C ATOM 1380 CG LYS A 90 -7.134 10.517 -11.381 1.00 0.00 C ATOM 1381 CD LYS A 90 -8.361 10.563 -12.295 1.00 0.00 C ATOM 1382 CE LYS A 90 -8.144 9.630 -13.489 1.00 0.00 C ATOM 1383 NZ LYS A 90 -8.146 8.216 -13.020 1.00 0.00 N ATOM 0 H LYS A 90 -4.726 9.940 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.676 12.044 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.636 12.277 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.756 12.619 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.277 10.120 -11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.317 9.846 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.251 10.262 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.531 11.582 -12.642 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.930 9.780 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.197 9.861 -13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.627 7.618 -13.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.166 7.889 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.647 8.153 -12.111 1.00 0.00 H new