USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 158:sc= 0.025 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.161 X(o=0.19,f=-0.25) USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.764) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.334 K(o=0.33,f=-2.8) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.77 K(o=-0.77,f=-5.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -72:sc= 1.03 USER MOD Single : A 26 THR OG1 : rot 6:sc= 0.21 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0.611 (180deg=0.584) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= 0.533 (180deg=-0.554) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 34:sc=-0.00856 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -114:sc= 0.69 (180deg=0.586) USER MOD Single : A 86 MET CE :methyl -117:sc= -2.85 (180deg=-6.87!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.065) USER MOD Single : A 92 THR OG1 : rot -110:sc= 0.0334 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 170:sc= -0.455 USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0.623 (180deg=0.582) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -1.221 19.093 -2.878 1.00 44.35 N ATOM 43 CA LYS A 3 -1.445 17.772 -2.249 1.00 1.34 C ATOM 44 C LYS A 3 -1.081 17.763 -0.751 1.00 2.34 C ATOM 45 O LYS A 3 -0.192 18.485 -0.288 1.00 44.43 O ATOM 46 CB LYS A 3 -0.639 16.647 -3.001 1.00 55.32 C ATOM 47 CG LYS A 3 -1.473 15.705 -3.908 1.00 75.04 C ATOM 48 CD LYS A 3 -2.293 16.439 -4.985 1.00 33.53 C ATOM 49 CE LYS A 3 -1.436 17.308 -5.930 1.00 24.12 C ATOM 50 NZ LYS A 3 -2.269 18.041 -6.912 1.00 13.03 N ATOM 0 HA LYS A 3 -2.512 17.567 -2.331 1.00 1.34 H new ATOM 0 HB2 LYS A 3 0.127 17.124 -3.613 1.00 55.32 H new ATOM 0 HB3 LYS A 3 -0.122 16.040 -2.258 1.00 55.32 H new ATOM 0 HG2 LYS A 3 -0.802 14.998 -4.396 1.00 75.04 H new ATOM 0 HG3 LYS A 3 -2.151 15.122 -3.284 1.00 75.04 H new ATOM 0 HD2 LYS A 3 -2.840 15.705 -5.577 1.00 33.53 H new ATOM 0 HD3 LYS A 3 -3.035 17.071 -4.497 1.00 33.53 H new ATOM 0 HE2 LYS A 3 -0.856 18.020 -5.343 1.00 24.12 H new ATOM 0 HE3 LYS A 3 -0.723 16.675 -6.459 1.00 24.12 H new ATOM 0 HZ1 LYS A 3 -1.696 18.272 -7.749 1.00 13.03 H new ATOM 0 HZ2 LYS A 3 -3.074 17.447 -7.197 1.00 13.03 H new ATOM 0 HZ3 LYS A 3 -2.622 18.919 -6.481 1.00 13.03 H new ATOM 64 N GLU A 4 -1.791 16.906 -0.033 1.00 63.44 N ATOM 65 CA GLU A 4 -1.533 16.581 1.369 1.00 45.31 C ATOM 66 C GLU A 4 -1.029 15.132 1.448 1.00 22.12 C ATOM 67 O GLU A 4 -1.713 14.215 0.979 1.00 42.21 O ATOM 68 CB GLU A 4 -2.840 16.745 2.194 1.00 75.44 C ATOM 69 CG GLU A 4 -2.738 16.281 3.667 1.00 43.33 C ATOM 70 CD GLU A 4 -4.061 16.439 4.440 1.00 1.43 C ATOM 71 OE1 GLU A 4 -5.051 15.758 4.092 1.00 41.40 O ATOM 72 OE2 GLU A 4 -4.125 17.246 5.391 1.00 72.32 O ATOM 0 H GLU A 4 -2.588 16.400 -0.418 1.00 63.44 H new ATOM 0 HA GLU A 4 -0.780 17.253 1.780 1.00 45.31 H new ATOM 0 HB2 GLU A 4 -3.135 17.794 2.178 1.00 75.44 H new ATOM 0 HB3 GLU A 4 -3.635 16.183 1.705 1.00 75.44 H new ATOM 0 HG2 GLU A 4 -2.431 15.235 3.693 1.00 43.33 H new ATOM 0 HG3 GLU A 4 -1.959 16.854 4.170 1.00 43.33 H new ATOM 79 N LYS A 5 0.175 14.926 2.004 1.00 65.45 N ATOM 80 CA LYS A 5 0.657 13.573 2.301 1.00 44.14 C ATOM 81 C LYS A 5 -0.179 12.979 3.457 1.00 62.34 C ATOM 82 O LYS A 5 -0.317 13.592 4.526 1.00 14.30 O ATOM 83 CB LYS A 5 2.152 13.557 2.681 1.00 63.01 C ATOM 84 CG LYS A 5 2.708 12.128 2.903 1.00 23.40 C ATOM 85 CD LYS A 5 4.088 12.111 3.579 1.00 13.14 C ATOM 86 CE LYS A 5 4.065 12.713 5.005 1.00 42.11 C ATOM 87 NZ LYS A 5 5.404 12.668 5.644 1.00 15.32 N ATOM 0 H LYS A 5 0.825 15.672 2.254 1.00 65.45 H new ATOM 0 HA LYS A 5 0.544 12.972 1.399 1.00 44.14 H new ATOM 0 HB2 LYS A 5 2.726 14.045 1.894 1.00 63.01 H new ATOM 0 HB3 LYS A 5 2.296 14.142 3.590 1.00 63.01 H new ATOM 0 HG2 LYS A 5 2.005 11.563 3.514 1.00 23.40 H new ATOM 0 HG3 LYS A 5 2.776 11.619 1.942 1.00 23.40 H new ATOM 0 HD2 LYS A 5 4.450 11.084 3.629 1.00 13.14 H new ATOM 0 HD3 LYS A 5 4.795 12.669 2.965 1.00 13.14 H new ATOM 0 HE2 LYS A 5 3.719 13.746 4.958 1.00 42.11 H new ATOM 0 HE3 LYS A 5 3.350 12.165 5.619 1.00 42.11 H new ATOM 0 HZ1 LYS A 5 5.348 13.080 6.597 1.00 15.32 H new ATOM 0 HZ2 LYS A 5 5.723 11.681 5.712 1.00 15.32 H new ATOM 0 HZ3 LYS A 5 6.080 13.212 5.071 1.00 15.32 H new ATOM 101 N ILE A 6 -0.720 11.786 3.229 1.00 51.35 N ATOM 102 CA ILE A 6 -1.628 11.104 4.157 1.00 63.22 C ATOM 103 C ILE A 6 -1.098 9.679 4.424 1.00 30.04 C ATOM 104 O ILE A 6 -0.850 8.899 3.498 1.00 50.34 O ATOM 105 CB ILE A 6 -3.130 11.080 3.630 1.00 44.21 C ATOM 106 CG1 ILE A 6 -3.302 10.182 2.364 1.00 72.14 C ATOM 107 CG2 ILE A 6 -3.627 12.519 3.338 1.00 51.40 C ATOM 108 CD1 ILE A 6 -4.696 10.148 1.765 1.00 13.14 C ATOM 0 H ILE A 6 -0.539 11.253 2.379 1.00 51.35 H new ATOM 0 HA ILE A 6 -1.650 11.664 5.092 1.00 63.22 H new ATOM 0 HB ILE A 6 -3.738 10.643 4.422 1.00 44.21 H new ATOM 0 HG12 ILE A 6 -2.606 10.527 1.599 1.00 72.14 H new ATOM 0 HG13 ILE A 6 -3.012 9.163 2.622 1.00 72.14 H new ATOM 0 HG21 ILE A 6 -4.655 12.483 2.979 1.00 51.40 H new ATOM 0 HG22 ILE A 6 -3.582 13.112 4.252 1.00 51.40 H new ATOM 0 HG23 ILE A 6 -2.993 12.976 2.578 1.00 51.40 H new ATOM 0 HD11 ILE A 6 -4.701 9.495 0.892 1.00 13.14 H new ATOM 0 HD12 ILE A 6 -5.401 9.770 2.505 1.00 13.14 H new ATOM 0 HD13 ILE A 6 -4.989 11.155 1.467 1.00 13.14 H new ATOM 120 N HIS A 7 -0.814 9.378 5.685 1.00 24.10 N ATOM 121 CA HIS A 7 -0.552 8.003 6.126 1.00 43.04 C ATOM 122 C HIS A 7 -1.846 7.429 6.731 1.00 75.55 C ATOM 123 O HIS A 7 -2.420 8.021 7.645 1.00 63.31 O ATOM 124 CB HIS A 7 0.648 7.950 7.114 1.00 43.33 C ATOM 125 CG HIS A 7 0.625 8.935 8.254 1.00 71.11 C ATOM 126 ND1 HIS A 7 -0.331 8.928 9.243 1.00 70.30 N ATOM 127 CD2 HIS A 7 1.460 9.955 8.564 1.00 43.21 C ATOM 128 CE1 HIS A 7 -0.091 9.888 10.103 1.00 25.52 C ATOM 129 NE2 HIS A 7 0.989 10.525 9.719 1.00 33.52 N ATOM 0 H HIS A 7 -0.758 10.071 6.431 1.00 24.10 H new ATOM 0 HA HIS A 7 -0.263 7.384 5.276 1.00 43.04 H new ATOM 0 HB2 HIS A 7 0.701 6.945 7.533 1.00 43.33 H new ATOM 0 HB3 HIS A 7 1.565 8.107 6.546 1.00 43.33 H new ATOM 0 HD1 HIS A 7 -1.111 8.273 9.299 1.00 70.30 H new ATOM 0 HD2 HIS A 7 2.333 10.262 8.007 1.00 43.21 H new ATOM 0 HE1 HIS A 7 -0.682 10.115 10.978 1.00 25.52 H new ATOM 138 N LEU A 8 -2.356 6.326 6.157 1.00 64.15 N ATOM 139 CA LEU A 8 -3.563 5.648 6.667 1.00 51.35 C ATOM 140 C LEU A 8 -3.143 4.376 7.448 1.00 53.22 C ATOM 141 O LEU A 8 -2.657 3.425 6.838 1.00 14.50 O ATOM 142 CB LEU A 8 -4.526 5.260 5.491 1.00 52.51 C ATOM 143 CG LEU A 8 -5.017 6.401 4.524 1.00 4.23 C ATOM 144 CD1 LEU A 8 -5.415 7.685 5.283 1.00 14.14 C ATOM 145 CD2 LEU A 8 -3.994 6.688 3.402 1.00 13.30 C ATOM 0 H LEU A 8 -1.949 5.882 5.334 1.00 64.15 H new ATOM 0 HA LEU A 8 -4.096 6.330 7.330 1.00 51.35 H new ATOM 0 HB2 LEU A 8 -4.025 4.504 4.886 1.00 52.51 H new ATOM 0 HB3 LEU A 8 -5.408 4.789 5.925 1.00 52.51 H new ATOM 0 HG LEU A 8 -5.923 6.031 4.044 1.00 4.23 H new ATOM 0 HD11 LEU A 8 -5.746 8.441 4.571 1.00 14.14 H new ATOM 0 HD12 LEU A 8 -6.225 7.461 5.977 1.00 14.14 H new ATOM 0 HD13 LEU A 8 -4.555 8.061 5.838 1.00 14.14 H new ATOM 0 HD21 LEU A 8 -4.373 7.482 2.758 1.00 13.30 H new ATOM 0 HD22 LEU A 8 -3.048 7.000 3.844 1.00 13.30 H new ATOM 0 HD23 LEU A 8 -3.839 5.785 2.812 1.00 13.30 H new ATOM 157 N GLU A 9 -3.351 4.344 8.787 1.00 2.42 N ATOM 158 CA GLU A 9 -2.924 3.198 9.644 1.00 73.02 C ATOM 159 C GLU A 9 -4.105 2.282 10.026 1.00 5.24 C ATOM 160 O GLU A 9 -5.154 2.741 10.480 1.00 32.43 O ATOM 161 CB GLU A 9 -2.188 3.671 10.937 1.00 54.41 C ATOM 162 CG GLU A 9 -0.845 4.427 10.706 1.00 2.20 C ATOM 163 CD GLU A 9 -0.962 5.965 10.678 1.00 43.03 C ATOM 164 OE1 GLU A 9 -1.887 6.496 10.040 1.00 43.41 O ATOM 165 OE2 GLU A 9 -0.139 6.650 11.317 1.00 23.14 O ATOM 0 H GLU A 9 -3.811 5.095 9.301 1.00 2.42 H new ATOM 0 HA GLU A 9 -2.224 2.623 9.038 1.00 73.02 H new ATOM 0 HB2 GLU A 9 -2.859 4.321 11.499 1.00 54.41 H new ATOM 0 HB3 GLU A 9 -1.991 2.800 11.562 1.00 54.41 H new ATOM 0 HG2 GLU A 9 -0.146 4.145 11.493 1.00 2.20 H new ATOM 0 HG3 GLU A 9 -0.414 4.093 9.762 1.00 2.20 H new ATOM 172 N TYR A 10 -3.895 0.968 9.870 1.00 32.31 N ATOM 173 CA TYR A 10 -4.916 -0.072 10.122 1.00 1.51 C ATOM 174 C TYR A 10 -4.356 -1.115 11.107 1.00 52.13 C ATOM 175 O TYR A 10 -3.203 -1.541 10.967 1.00 73.15 O ATOM 176 CB TYR A 10 -5.322 -0.748 8.783 1.00 43.03 C ATOM 177 CG TYR A 10 -5.793 0.244 7.708 1.00 61.12 C ATOM 178 CD1 TYR A 10 -7.060 0.837 7.780 1.00 0.30 C ATOM 179 CD2 TYR A 10 -4.962 0.613 6.643 1.00 63.34 C ATOM 180 CE1 TYR A 10 -7.472 1.754 6.833 1.00 50.35 C ATOM 181 CE2 TYR A 10 -5.376 1.525 5.693 1.00 75.12 C ATOM 182 CZ TYR A 10 -6.631 2.095 5.794 1.00 51.21 C ATOM 183 OH TYR A 10 -7.045 3.019 4.855 1.00 44.41 O ATOM 0 H TYR A 10 -3.001 0.587 9.561 1.00 32.31 H new ATOM 0 HA TYR A 10 -5.803 0.386 10.561 1.00 1.51 H new ATOM 0 HB2 TYR A 10 -4.472 -1.311 8.398 1.00 43.03 H new ATOM 0 HB3 TYR A 10 -6.119 -1.466 8.976 1.00 43.03 H new ATOM 0 HD1 TYR A 10 -7.725 0.573 8.589 1.00 0.30 H new ATOM 0 HD2 TYR A 10 -3.978 0.175 6.563 1.00 63.34 H new ATOM 0 HE1 TYR A 10 -8.451 2.204 6.906 1.00 50.35 H new ATOM 0 HE2 TYR A 10 -4.723 1.792 4.875 1.00 75.12 H new ATOM 0 HH TYR A 10 -6.337 3.150 4.190 1.00 44.41 H new ATOM 193 N LEU A 11 -5.157 -1.533 12.102 1.00 14.53 N ATOM 194 CA LEU A 11 -4.697 -2.496 13.132 1.00 10.53 C ATOM 195 C LEU A 11 -5.019 -3.947 12.701 1.00 62.14 C ATOM 196 O LEU A 11 -6.172 -4.404 12.728 1.00 62.32 O ATOM 197 CB LEU A 11 -5.257 -2.166 14.563 1.00 44.42 C ATOM 198 CG LEU A 11 -6.795 -2.344 14.842 1.00 60.30 C ATOM 199 CD1 LEU A 11 -7.105 -2.241 16.350 1.00 21.34 C ATOM 200 CD2 LEU A 11 -7.650 -1.344 14.042 1.00 60.01 C ATOM 0 H LEU A 11 -6.122 -1.224 12.220 1.00 14.53 H new ATOM 0 HA LEU A 11 -3.614 -2.399 13.209 1.00 10.53 H new ATOM 0 HB2 LEU A 11 -4.719 -2.788 15.278 1.00 44.42 H new ATOM 0 HB3 LEU A 11 -5.000 -1.130 14.786 1.00 44.42 H new ATOM 0 HG LEU A 11 -7.062 -3.345 14.503 1.00 60.30 H new ATOM 0 HD11 LEU A 11 -8.176 -2.368 16.511 1.00 21.34 H new ATOM 0 HD12 LEU A 11 -6.562 -3.019 16.887 1.00 21.34 H new ATOM 0 HD13 LEU A 11 -6.796 -1.263 16.719 1.00 21.34 H new ATOM 0 HD21 LEU A 11 -8.704 -1.505 14.267 1.00 60.01 H new ATOM 0 HD22 LEU A 11 -7.372 -0.326 14.316 1.00 60.01 H new ATOM 0 HD23 LEU A 11 -7.480 -1.492 12.975 1.00 60.01 H new ATOM 212 N LEU A 12 -3.984 -4.656 12.240 1.00 74.42 N ATOM 213 CA LEU A 12 -4.101 -6.062 11.820 1.00 31.13 C ATOM 214 C LEU A 12 -3.828 -7.007 12.998 1.00 42.04 C ATOM 215 O LEU A 12 -2.705 -7.093 13.497 1.00 32.21 O ATOM 216 CB LEU A 12 -3.146 -6.343 10.623 1.00 54.14 C ATOM 217 CG LEU A 12 -3.704 -5.960 9.219 1.00 71.43 C ATOM 218 CD1 LEU A 12 -4.947 -6.799 8.889 1.00 65.00 C ATOM 219 CD2 LEU A 12 -4.010 -4.454 9.108 1.00 34.25 C ATOM 0 H LEU A 12 -3.042 -4.276 12.146 1.00 74.42 H new ATOM 0 HA LEU A 12 -5.122 -6.248 11.487 1.00 31.13 H new ATOM 0 HB2 LEU A 12 -2.216 -5.799 10.787 1.00 54.14 H new ATOM 0 HB3 LEU A 12 -2.898 -7.404 10.620 1.00 54.14 H new ATOM 0 HG LEU A 12 -2.928 -6.181 8.486 1.00 71.43 H new ATOM 0 HD11 LEU A 12 -5.324 -6.519 7.905 1.00 65.00 H new ATOM 0 HD12 LEU A 12 -4.683 -7.856 8.889 1.00 65.00 H new ATOM 0 HD13 LEU A 12 -5.718 -6.618 9.638 1.00 65.00 H new ATOM 0 HD21 LEU A 12 -4.396 -4.234 8.113 1.00 34.25 H new ATOM 0 HD22 LEU A 12 -4.754 -4.178 9.855 1.00 34.25 H new ATOM 0 HD23 LEU A 12 -3.097 -3.884 9.277 1.00 34.25 H new ATOM 231 N ASN A 13 -4.879 -7.734 13.405 1.00 22.22 N ATOM 232 CA ASN A 13 -4.839 -8.697 14.524 1.00 25.10 C ATOM 233 C ASN A 13 -5.235 -10.105 14.015 1.00 74.31 C ATOM 234 O ASN A 13 -5.453 -10.283 12.810 1.00 71.52 O ATOM 235 CB ASN A 13 -5.780 -8.214 15.663 1.00 62.55 C ATOM 236 CG ASN A 13 -5.350 -6.871 16.266 1.00 22.42 C ATOM 237 OD1 ASN A 13 -4.610 -6.821 17.245 1.00 63.03 O ATOM 238 ND2 ASN A 13 -5.793 -5.772 15.679 1.00 72.55 N ATOM 0 H ASN A 13 -5.796 -7.671 12.962 1.00 22.22 H new ATOM 0 HA ASN A 13 -3.828 -8.758 14.927 1.00 25.10 H new ATOM 0 HB2 ASN A 13 -6.795 -8.124 15.275 1.00 62.55 H new ATOM 0 HB3 ASN A 13 -5.806 -8.968 16.450 1.00 62.55 H new ATOM 0 HD21 ASN A 13 -5.521 -4.857 16.038 1.00 72.55 H new ATOM 0 HD22 ASN A 13 -6.407 -5.839 14.867 1.00 72.55 H new ATOM 280 N LYS A 17 -0.108 -11.372 8.793 1.00 22.01 N ATOM 281 CA LYS A 17 1.365 -11.216 8.683 1.00 54.42 C ATOM 282 C LYS A 17 1.733 -10.100 7.679 1.00 44.55 C ATOM 283 O LYS A 17 0.863 -9.406 7.159 1.00 50.14 O ATOM 284 CB LYS A 17 2.022 -12.560 8.262 1.00 53.34 C ATOM 285 CG LYS A 17 1.824 -13.717 9.267 1.00 42.13 C ATOM 286 CD LYS A 17 2.560 -15.012 8.853 1.00 12.33 C ATOM 287 CE LYS A 17 4.094 -14.839 8.775 1.00 62.23 C ATOM 288 NZ LYS A 17 4.785 -16.105 8.417 1.00 70.12 N ATOM 0 HA LYS A 17 1.748 -10.929 9.662 1.00 54.42 H new ATOM 0 HB2 LYS A 17 1.615 -12.861 7.297 1.00 53.34 H new ATOM 0 HB3 LYS A 17 3.091 -12.398 8.121 1.00 53.34 H new ATOM 0 HG2 LYS A 17 2.179 -13.403 10.249 1.00 42.13 H new ATOM 0 HG3 LYS A 17 0.759 -13.927 9.365 1.00 42.13 H new ATOM 0 HD2 LYS A 17 2.325 -15.801 9.568 1.00 12.33 H new ATOM 0 HD3 LYS A 17 2.188 -15.340 7.883 1.00 12.33 H new ATOM 0 HE2 LYS A 17 4.334 -14.075 8.036 1.00 62.23 H new ATOM 0 HE3 LYS A 17 4.467 -14.483 9.735 1.00 62.23 H new ATOM 0 HZ1 LYS A 17 5.811 -15.941 8.376 1.00 70.12 H new ATOM 0 HZ2 LYS A 17 4.578 -16.828 9.135 1.00 70.12 H new ATOM 0 HZ3 LYS A 17 4.450 -16.433 7.489 1.00 70.12 H new ATOM 302 N ASN A 18 3.044 -9.927 7.431 1.00 4.34 N ATOM 303 CA ASN A 18 3.563 -8.984 6.408 1.00 12.42 C ATOM 304 C ASN A 18 3.100 -9.347 4.969 1.00 2.04 C ATOM 305 O ASN A 18 2.965 -8.457 4.132 1.00 73.22 O ATOM 306 CB ASN A 18 5.112 -8.881 6.469 1.00 32.15 C ATOM 307 CG ASN A 18 5.833 -10.222 6.283 1.00 44.23 C ATOM 308 OD1 ASN A 18 5.427 -11.245 6.822 1.00 44.53 O ATOM 309 ND2 ASN A 18 6.895 -10.231 5.498 1.00 75.42 N ATOM 0 H ASN A 18 3.776 -10.433 7.929 1.00 4.34 H new ATOM 0 HA ASN A 18 3.138 -8.009 6.648 1.00 12.42 H new ATOM 0 HB2 ASN A 18 5.451 -8.188 5.699 1.00 32.15 H new ATOM 0 HB3 ASN A 18 5.400 -8.455 7.430 1.00 32.15 H new ATOM 0 HD21 ASN A 18 7.397 -11.103 5.329 1.00 75.42 H new ATOM 0 HD22 ASN A 18 7.213 -9.366 5.061 1.00 75.42 H new ATOM 316 N ILE A 19 2.840 -10.654 4.719 1.00 32.42 N ATOM 317 CA ILE A 19 2.489 -11.213 3.371 1.00 11.44 C ATOM 318 C ILE A 19 1.331 -10.422 2.679 1.00 45.12 C ATOM 319 O ILE A 19 1.335 -10.280 1.443 1.00 3.41 O ATOM 320 CB ILE A 19 2.128 -12.772 3.459 1.00 10.34 C ATOM 321 CG1 ILE A 19 3.390 -13.662 3.764 1.00 73.23 C ATOM 322 CG2 ILE A 19 1.428 -13.296 2.178 1.00 71.33 C ATOM 323 CD1 ILE A 19 3.951 -13.560 5.162 1.00 34.14 C ATOM 0 H ILE A 19 2.866 -11.365 5.450 1.00 32.42 H new ATOM 0 HA ILE A 19 3.378 -11.098 2.751 1.00 11.44 H new ATOM 0 HB ILE A 19 1.430 -12.856 4.292 1.00 10.34 H new ATOM 0 HG12 ILE A 19 3.130 -14.703 3.574 1.00 73.23 H new ATOM 0 HG13 ILE A 19 4.177 -13.396 3.058 1.00 73.23 H new ATOM 0 HG21 ILE A 19 1.206 -14.357 2.293 1.00 71.33 H new ATOM 0 HG22 ILE A 19 0.500 -12.747 2.020 1.00 71.33 H new ATOM 0 HG23 ILE A 19 2.085 -13.153 1.320 1.00 71.33 H new ATOM 0 HD11 ILE A 19 4.816 -14.216 5.256 1.00 34.14 H new ATOM 0 HD12 ILE A 19 4.252 -12.531 5.359 1.00 34.14 H new ATOM 0 HD13 ILE A 19 3.190 -13.859 5.882 1.00 34.14 H new ATOM 335 N LEU A 20 0.407 -9.858 3.506 1.00 1.53 N ATOM 336 CA LEU A 20 -0.796 -9.095 3.053 1.00 12.34 C ATOM 337 C LEU A 20 -0.479 -8.115 1.885 1.00 53.42 C ATOM 338 O LEU A 20 -0.983 -8.278 0.767 1.00 30.25 O ATOM 339 CB LEU A 20 -1.386 -8.303 4.266 1.00 64.34 C ATOM 340 CG LEU A 20 -1.897 -9.160 5.472 1.00 5.32 C ATOM 341 CD1 LEU A 20 -2.213 -8.274 6.697 1.00 32.41 C ATOM 342 CD2 LEU A 20 -3.119 -10.024 5.077 1.00 72.01 C ATOM 0 H LEU A 20 0.476 -9.920 4.522 1.00 1.53 H new ATOM 0 HA LEU A 20 -1.522 -9.814 2.675 1.00 12.34 H new ATOM 0 HB2 LEU A 20 -0.621 -7.619 4.633 1.00 64.34 H new ATOM 0 HB3 LEU A 20 -2.214 -7.692 3.906 1.00 64.34 H new ATOM 0 HG LEU A 20 -1.092 -9.839 5.752 1.00 5.32 H new ATOM 0 HD11 LEU A 20 -2.565 -8.899 7.517 1.00 32.41 H new ATOM 0 HD12 LEU A 20 -1.311 -7.745 7.006 1.00 32.41 H new ATOM 0 HD13 LEU A 20 -2.986 -7.551 6.434 1.00 32.41 H new ATOM 0 HD21 LEU A 20 -3.447 -10.606 5.938 1.00 72.01 H new ATOM 0 HD22 LEU A 20 -3.931 -9.376 4.746 1.00 72.01 H new ATOM 0 HD23 LEU A 20 -2.841 -10.699 4.268 1.00 72.01 H new ATOM 354 N TRP A 21 0.380 -7.116 2.156 1.00 31.24 N ATOM 355 CA TRP A 21 0.870 -6.161 1.135 1.00 14.12 C ATOM 356 C TRP A 21 2.292 -6.487 0.640 1.00 74.00 C ATOM 357 O TRP A 21 2.698 -5.959 -0.380 1.00 23.30 O ATOM 358 CB TRP A 21 0.786 -4.711 1.658 1.00 22.12 C ATOM 359 CG TRP A 21 -0.631 -4.168 1.696 1.00 30.01 C ATOM 360 CD1 TRP A 21 -1.570 -4.346 2.675 1.00 13.35 C ATOM 361 CD2 TRP A 21 -1.260 -3.359 0.687 1.00 73.35 C ATOM 362 NE1 TRP A 21 -2.724 -3.678 2.349 1.00 44.44 N ATOM 363 CE2 TRP A 21 -2.561 -3.070 1.133 1.00 4.54 C ATOM 364 CE3 TRP A 21 -0.836 -2.846 -0.543 1.00 15.35 C ATOM 365 CZ2 TRP A 21 -3.447 -2.292 0.390 1.00 61.15 C ATOM 366 CZ3 TRP A 21 -1.713 -2.076 -1.283 1.00 44.23 C ATOM 367 CH2 TRP A 21 -3.006 -1.802 -0.813 1.00 45.12 C ATOM 0 H TRP A 21 0.757 -6.945 3.088 1.00 31.24 H new ATOM 0 HA TRP A 21 0.213 -6.262 0.271 1.00 14.12 H new ATOM 0 HB2 TRP A 21 1.211 -4.669 2.661 1.00 22.12 H new ATOM 0 HB3 TRP A 21 1.397 -4.068 1.025 1.00 22.12 H new ATOM 0 HD1 TRP A 21 -1.424 -4.927 3.573 1.00 13.35 H new ATOM 0 HE1 TRP A 21 -3.568 -3.641 2.921 1.00 44.44 H new ATOM 0 HE3 TRP A 21 0.160 -3.048 -0.908 1.00 15.35 H new ATOM 0 HZ2 TRP A 21 -4.444 -2.083 0.748 1.00 61.15 H new ATOM 0 HZ3 TRP A 21 -1.398 -1.679 -2.237 1.00 44.23 H new ATOM 0 HH2 TRP A 21 -3.668 -1.193 -1.411 1.00 45.12 H new ATOM 378 N SER A 22 3.054 -7.356 1.346 1.00 44.31 N ATOM 379 CA SER A 22 4.420 -7.783 0.882 1.00 64.32 C ATOM 380 C SER A 22 4.366 -8.511 -0.488 1.00 73.11 C ATOM 381 O SER A 22 5.376 -8.635 -1.179 1.00 23.44 O ATOM 382 CB SER A 22 5.124 -8.680 1.927 1.00 60.41 C ATOM 383 OG SER A 22 6.449 -9.014 1.532 1.00 34.43 O ATOM 0 H SER A 22 2.762 -7.777 2.228 1.00 44.31 H new ATOM 0 HA SER A 22 5.002 -6.869 0.761 1.00 64.32 H new ATOM 0 HB2 SER A 22 5.150 -8.166 2.888 1.00 60.41 H new ATOM 0 HB3 SER A 22 4.546 -9.593 2.070 1.00 60.41 H new ATOM 0 HG SER A 22 6.862 -9.580 2.217 1.00 34.43 H new ATOM 389 N ALA A 23 3.158 -8.974 -0.861 1.00 43.13 N ATOM 390 CA ALA A 23 2.863 -9.567 -2.184 1.00 63.21 C ATOM 391 C ALA A 23 3.235 -8.621 -3.366 1.00 34.50 C ATOM 392 O ALA A 23 3.618 -9.089 -4.437 1.00 21.33 O ATOM 393 CB ALA A 23 1.371 -9.936 -2.242 1.00 30.52 C ATOM 0 H ALA A 23 2.346 -8.947 -0.244 1.00 43.13 H new ATOM 0 HA ALA A 23 3.480 -10.458 -2.298 1.00 63.21 H new ATOM 0 HB1 ALA A 23 1.142 -10.374 -3.213 1.00 30.52 H new ATOM 0 HB2 ALA A 23 1.144 -10.656 -1.456 1.00 30.52 H new ATOM 0 HB3 ALA A 23 0.769 -9.039 -2.098 1.00 30.52 H new ATOM 399 N ILE A 24 3.144 -7.289 -3.144 1.00 42.30 N ATOM 400 CA ILE A 24 3.397 -6.271 -4.200 1.00 13.13 C ATOM 401 C ILE A 24 4.897 -6.139 -4.578 1.00 24.53 C ATOM 402 O ILE A 24 5.225 -5.572 -5.626 1.00 53.22 O ATOM 403 CB ILE A 24 2.814 -4.858 -3.807 1.00 34.12 C ATOM 404 CG1 ILE A 24 3.653 -4.203 -2.658 1.00 32.51 C ATOM 405 CG2 ILE A 24 1.315 -4.978 -3.428 1.00 25.13 C ATOM 406 CD1 ILE A 24 3.045 -2.971 -2.012 1.00 35.54 C ATOM 0 H ILE A 24 2.896 -6.889 -2.239 1.00 42.30 H new ATOM 0 HA ILE A 24 2.871 -6.636 -5.082 1.00 13.13 H new ATOM 0 HB ILE A 24 2.887 -4.200 -4.673 1.00 34.12 H new ATOM 0 HG12 ILE A 24 3.818 -4.952 -1.883 1.00 32.51 H new ATOM 0 HG13 ILE A 24 4.632 -3.935 -3.056 1.00 32.51 H new ATOM 0 HG21 ILE A 24 0.928 -3.995 -3.159 1.00 25.13 H new ATOM 0 HG22 ILE A 24 0.755 -5.369 -4.278 1.00 25.13 H new ATOM 0 HG23 ILE A 24 1.207 -5.654 -2.580 1.00 25.13 H new ATOM 0 HD11 ILE A 24 3.711 -2.603 -1.232 1.00 35.54 H new ATOM 0 HD12 ILE A 24 2.906 -2.196 -2.766 1.00 35.54 H new ATOM 0 HD13 ILE A 24 2.080 -3.228 -1.574 1.00 35.54 H new ATOM 418 N SER A 25 5.797 -6.652 -3.719 1.00 60.33 N ATOM 419 CA SER A 25 7.258 -6.643 -3.993 1.00 51.02 C ATOM 420 C SER A 25 7.640 -7.729 -5.023 1.00 71.34 C ATOM 421 O SER A 25 8.667 -7.622 -5.705 1.00 43.53 O ATOM 422 CB SER A 25 8.056 -6.845 -2.684 1.00 72.25 C ATOM 423 OG SER A 25 7.962 -8.179 -2.205 1.00 54.42 O ATOM 0 H SER A 25 5.545 -7.079 -2.828 1.00 60.33 H new ATOM 0 HA SER A 25 7.512 -5.671 -4.415 1.00 51.02 H new ATOM 0 HB2 SER A 25 9.103 -6.594 -2.855 1.00 72.25 H new ATOM 0 HB3 SER A 25 7.684 -6.159 -1.923 1.00 72.25 H new ATOM 0 HG SER A 25 7.063 -8.336 -1.847 1.00 54.42 H new ATOM 429 N THR A 26 6.806 -8.786 -5.111 1.00 13.33 N ATOM 430 CA THR A 26 6.987 -9.888 -6.076 1.00 23.24 C ATOM 431 C THR A 26 5.962 -9.810 -7.231 1.00 60.45 C ATOM 432 O THR A 26 4.826 -9.374 -7.027 1.00 64.03 O ATOM 433 CB THR A 26 6.865 -11.292 -5.393 1.00 25.41 C ATOM 434 OG1 THR A 26 5.627 -11.393 -4.670 1.00 21.22 O ATOM 435 CG2 THR A 26 8.051 -11.567 -4.457 1.00 31.33 C ATOM 0 H THR A 26 5.987 -8.899 -4.513 1.00 13.33 H new ATOM 0 HA THR A 26 7.994 -9.772 -6.476 1.00 23.24 H new ATOM 0 HB THR A 26 6.878 -12.045 -6.181 1.00 25.41 H new ATOM 0 HG1 THR A 26 5.081 -10.598 -4.843 1.00 21.22 H new ATOM 0 HG21 THR A 26 7.934 -12.550 -4.000 1.00 31.33 H new ATOM 0 HG22 THR A 26 8.979 -11.541 -5.028 1.00 31.33 H new ATOM 0 HG23 THR A 26 8.083 -10.806 -3.677 1.00 31.33 H new ATOM 443 N PRO A 27 6.364 -10.236 -8.475 1.00 23.20 N ATOM 444 CA PRO A 27 5.434 -10.347 -9.635 1.00 3.34 C ATOM 445 C PRO A 27 4.261 -11.329 -9.366 1.00 24.32 C ATOM 446 O PRO A 27 3.092 -10.960 -9.509 1.00 62.43 O ATOM 447 CB PRO A 27 6.359 -10.854 -10.784 1.00 71.12 C ATOM 448 CG PRO A 27 7.552 -11.441 -10.085 1.00 22.32 C ATOM 449 CD PRO A 27 7.756 -10.595 -8.863 1.00 60.11 C ATOM 0 HA PRO A 27 4.940 -9.403 -9.865 1.00 3.34 H new ATOM 0 HB2 PRO A 27 5.854 -11.599 -11.399 1.00 71.12 H new ATOM 0 HB3 PRO A 27 6.650 -10.039 -11.446 1.00 71.12 H new ATOM 0 HG2 PRO A 27 7.376 -12.483 -9.816 1.00 22.32 H new ATOM 0 HG3 PRO A 27 8.432 -11.421 -10.727 1.00 22.32 H new ATOM 0 HD2 PRO A 27 8.268 -11.143 -8.072 1.00 60.11 H new ATOM 0 HD3 PRO A 27 8.357 -9.711 -9.078 1.00 60.11 H new ATOM 457 N THR A 28 4.605 -12.578 -8.962 1.00 33.25 N ATOM 458 CA THR A 28 3.630 -13.644 -8.617 1.00 70.11 C ATOM 459 C THR A 28 2.618 -13.226 -7.514 1.00 14.15 C ATOM 460 O THR A 28 1.449 -13.638 -7.549 1.00 61.23 O ATOM 461 CB THR A 28 4.371 -14.961 -8.182 1.00 1.44 C ATOM 462 OG1 THR A 28 3.423 -15.999 -7.865 1.00 1.44 O ATOM 463 CG2 THR A 28 5.309 -14.748 -6.973 1.00 2.50 C ATOM 0 H THR A 28 5.576 -12.876 -8.866 1.00 33.25 H new ATOM 0 HA THR A 28 3.056 -13.824 -9.526 1.00 70.11 H new ATOM 0 HB THR A 28 4.983 -15.260 -9.033 1.00 1.44 H new ATOM 0 HG1 THR A 28 3.903 -16.810 -7.598 1.00 1.44 H new ATOM 0 HG21 THR A 28 5.793 -15.691 -6.718 1.00 2.50 H new ATOM 0 HG22 THR A 28 6.068 -14.008 -7.227 1.00 2.50 H new ATOM 0 HG23 THR A 28 4.729 -14.395 -6.120 1.00 2.50 H new ATOM 471 N GLY A 29 3.081 -12.417 -6.544 1.00 24.41 N ATOM 472 CA GLY A 29 2.219 -11.918 -5.463 1.00 14.12 C ATOM 473 C GLY A 29 1.285 -10.787 -5.912 1.00 54.10 C ATOM 474 O GLY A 29 0.138 -10.711 -5.471 1.00 41.11 O ATOM 0 H GLY A 29 4.048 -12.096 -6.489 1.00 24.41 H new ATOM 0 HA2 GLY A 29 1.621 -12.742 -5.073 1.00 14.12 H new ATOM 0 HA3 GLY A 29 2.843 -11.562 -4.644 1.00 14.12 H new ATOM 478 N LEU A 30 1.797 -9.903 -6.781 1.00 13.23 N ATOM 479 CA LEU A 30 1.043 -8.740 -7.316 1.00 15.42 C ATOM 480 C LEU A 30 -0.120 -9.192 -8.244 1.00 54.22 C ATOM 481 O LEU A 30 -1.270 -8.791 -8.044 1.00 72.52 O ATOM 482 CB LEU A 30 2.021 -7.767 -8.067 1.00 20.51 C ATOM 483 CG LEU A 30 2.095 -6.299 -7.549 1.00 21.32 C ATOM 484 CD1 LEU A 30 3.210 -5.502 -8.257 1.00 43.12 C ATOM 485 CD2 LEU A 30 0.742 -5.581 -7.660 1.00 1.01 C ATOM 0 H LEU A 30 2.750 -9.968 -7.139 1.00 13.23 H new ATOM 0 HA LEU A 30 0.595 -8.207 -6.477 1.00 15.42 H new ATOM 0 HB2 LEU A 30 3.023 -8.193 -8.022 1.00 20.51 H new ATOM 0 HB3 LEU A 30 1.732 -7.741 -9.118 1.00 20.51 H new ATOM 0 HG LEU A 30 2.347 -6.351 -6.490 1.00 21.32 H new ATOM 0 HD11 LEU A 30 3.231 -4.483 -7.870 1.00 43.12 H new ATOM 0 HD12 LEU A 30 4.172 -5.980 -8.073 1.00 43.12 H new ATOM 0 HD13 LEU A 30 3.016 -5.479 -9.329 1.00 43.12 H new ATOM 0 HD21 LEU A 30 0.840 -4.561 -7.288 1.00 1.01 H new ATOM 0 HD22 LEU A 30 0.427 -5.558 -8.703 1.00 1.01 H new ATOM 0 HD23 LEU A 30 -0.002 -6.114 -7.068 1.00 1.01 H new ATOM 497 N GLU A 31 0.196 -10.063 -9.231 1.00 10.34 N ATOM 498 CA GLU A 31 -0.777 -10.528 -10.266 1.00 23.51 C ATOM 499 C GLU A 31 -1.934 -11.371 -9.693 1.00 11.21 C ATOM 500 O GLU A 31 -2.933 -11.604 -10.380 1.00 10.22 O ATOM 501 CB GLU A 31 -0.049 -11.315 -11.380 1.00 72.15 C ATOM 502 CG GLU A 31 0.635 -12.623 -10.943 1.00 43.43 C ATOM 503 CD GLU A 31 1.518 -13.218 -12.054 1.00 54.42 C ATOM 504 OE1 GLU A 31 0.987 -13.908 -12.953 1.00 14.53 O ATOM 505 OE2 GLU A 31 2.743 -12.971 -12.052 1.00 63.42 O ATOM 0 H GLU A 31 1.127 -10.466 -9.338 1.00 10.34 H new ATOM 0 HA GLU A 31 -1.227 -9.626 -10.682 1.00 23.51 H new ATOM 0 HB2 GLU A 31 -0.770 -11.549 -12.163 1.00 72.15 H new ATOM 0 HB3 GLU A 31 0.704 -10.665 -11.824 1.00 72.15 H new ATOM 0 HG2 GLU A 31 1.244 -12.434 -10.059 1.00 43.43 H new ATOM 0 HG3 GLU A 31 -0.125 -13.350 -10.657 1.00 43.43 H new ATOM 512 N ASP A 32 -1.771 -11.832 -8.446 1.00 30.12 N ATOM 513 CA ASP A 32 -2.827 -12.516 -7.682 1.00 70.13 C ATOM 514 C ASP A 32 -4.098 -11.626 -7.531 1.00 25.23 C ATOM 515 O ASP A 32 -5.221 -12.088 -7.753 1.00 4.32 O ATOM 516 CB ASP A 32 -2.256 -12.912 -6.293 1.00 31.42 C ATOM 517 CG ASP A 32 -3.305 -13.509 -5.339 1.00 54.21 C ATOM 518 OD1 ASP A 32 -3.796 -14.621 -5.614 1.00 44.42 O ATOM 519 OD2 ASP A 32 -3.637 -12.871 -4.315 1.00 0.25 O ATOM 0 H ASP A 32 -0.894 -11.741 -7.933 1.00 30.12 H new ATOM 0 HA ASP A 32 -3.136 -13.410 -8.223 1.00 70.13 H new ATOM 0 HB2 ASP A 32 -1.453 -13.635 -6.433 1.00 31.42 H new ATOM 0 HB3 ASP A 32 -1.814 -12.031 -5.827 1.00 31.42 H new ATOM 524 N TRP A 33 -3.893 -10.338 -7.207 1.00 10.42 N ATOM 525 CA TRP A 33 -4.993 -9.403 -6.836 1.00 60.40 C ATOM 526 C TRP A 33 -4.886 -8.023 -7.542 1.00 52.33 C ATOM 527 O TRP A 33 -5.687 -7.120 -7.268 1.00 34.43 O ATOM 528 CB TRP A 33 -5.031 -9.241 -5.287 1.00 65.14 C ATOM 529 CG TRP A 33 -3.769 -8.667 -4.659 1.00 30.25 C ATOM 530 CD1 TRP A 33 -2.486 -9.129 -4.793 1.00 34.25 C ATOM 531 CD2 TRP A 33 -3.687 -7.552 -3.758 1.00 13.42 C ATOM 532 NE1 TRP A 33 -1.623 -8.366 -4.057 1.00 12.41 N ATOM 533 CE2 TRP A 33 -2.334 -7.393 -3.408 1.00 33.42 C ATOM 534 CE3 TRP A 33 -4.631 -6.670 -3.226 1.00 32.22 C ATOM 535 CZ2 TRP A 33 -1.904 -6.391 -2.544 1.00 32.32 C ATOM 536 CZ3 TRP A 33 -4.205 -5.677 -2.367 1.00 31.35 C ATOM 537 CH2 TRP A 33 -2.850 -5.544 -2.034 1.00 60.12 C ATOM 0 H TRP A 33 -2.968 -9.908 -7.192 1.00 10.42 H new ATOM 0 HA TRP A 33 -5.929 -9.840 -7.184 1.00 60.40 H new ATOM 0 HB2 TRP A 33 -5.871 -8.597 -5.027 1.00 65.14 H new ATOM 0 HB3 TRP A 33 -5.227 -10.216 -4.841 1.00 65.14 H new ATOM 0 HD1 TRP A 33 -2.197 -9.977 -5.396 1.00 34.25 H new ATOM 0 HE1 TRP A 33 -0.613 -8.500 -4.001 1.00 12.41 H new ATOM 0 HE3 TRP A 33 -5.676 -6.764 -3.482 1.00 32.22 H new ATOM 0 HZ2 TRP A 33 -0.861 -6.285 -2.285 1.00 32.32 H new ATOM 0 HZ3 TRP A 33 -4.926 -4.993 -1.945 1.00 31.35 H new ATOM 0 HH2 TRP A 33 -2.546 -4.756 -1.361 1.00 60.12 H new ATOM 548 N PHE A 34 -3.921 -7.880 -8.466 1.00 72.05 N ATOM 549 CA PHE A 34 -3.741 -6.650 -9.279 1.00 41.21 C ATOM 550 C PHE A 34 -3.242 -7.015 -10.693 1.00 54.24 C ATOM 551 O PHE A 34 -2.229 -7.700 -10.822 1.00 31.34 O ATOM 552 CB PHE A 34 -2.741 -5.680 -8.598 1.00 23.55 C ATOM 553 CG PHE A 34 -2.628 -4.317 -9.300 1.00 11.41 C ATOM 554 CD1 PHE A 34 -3.632 -3.356 -9.158 1.00 23.42 C ATOM 555 CD2 PHE A 34 -1.533 -4.002 -10.116 1.00 12.21 C ATOM 556 CE1 PHE A 34 -3.544 -2.133 -9.801 1.00 45.31 C ATOM 557 CE2 PHE A 34 -1.452 -2.781 -10.758 1.00 62.35 C ATOM 558 CZ PHE A 34 -2.455 -1.847 -10.600 1.00 62.00 C ATOM 0 H PHE A 34 -3.240 -8.610 -8.676 1.00 72.05 H new ATOM 0 HA PHE A 34 -4.706 -6.150 -9.359 1.00 41.21 H new ATOM 0 HB2 PHE A 34 -3.048 -5.522 -7.564 1.00 23.55 H new ATOM 0 HB3 PHE A 34 -1.757 -6.147 -8.570 1.00 23.55 H new ATOM 0 HD1 PHE A 34 -4.490 -3.570 -8.537 1.00 23.42 H new ATOM 0 HD2 PHE A 34 -0.741 -4.724 -10.245 1.00 12.21 H new ATOM 0 HE1 PHE A 34 -4.329 -1.401 -9.677 1.00 45.31 H new ATOM 0 HE2 PHE A 34 -0.602 -2.557 -11.385 1.00 62.35 H new ATOM 0 HZ PHE A 34 -2.388 -0.893 -11.101 1.00 62.00 H new ATOM 568 N ALA A 35 -3.965 -6.535 -11.734 1.00 4.21 N ATOM 569 CA ALA A 35 -3.677 -6.810 -13.168 1.00 54.21 C ATOM 570 C ALA A 35 -3.864 -8.302 -13.549 1.00 1.40 C ATOM 571 O ALA A 35 -3.807 -9.200 -12.697 1.00 55.35 O ATOM 572 CB ALA A 35 -2.276 -6.296 -13.576 1.00 1.24 C ATOM 0 H ALA A 35 -4.779 -5.935 -11.601 1.00 4.21 H new ATOM 0 HA ALA A 35 -4.419 -6.252 -13.738 1.00 54.21 H new ATOM 0 HB1 ALA A 35 -2.101 -6.514 -14.629 1.00 1.24 H new ATOM 0 HB2 ALA A 35 -2.222 -5.219 -13.415 1.00 1.24 H new ATOM 0 HB3 ALA A 35 -1.516 -6.792 -12.972 1.00 1.24 H new ATOM 578 N ASP A 36 -4.098 -8.554 -14.846 1.00 3.12 N ATOM 579 CA ASP A 36 -4.247 -9.924 -15.386 1.00 4.43 C ATOM 580 C ASP A 36 -2.941 -10.747 -15.244 1.00 53.01 C ATOM 581 O ASP A 36 -2.990 -11.955 -14.994 1.00 41.13 O ATOM 582 CB ASP A 36 -4.708 -9.863 -16.861 1.00 52.43 C ATOM 583 CG ASP A 36 -6.161 -9.380 -16.996 1.00 33.54 C ATOM 584 OD1 ASP A 36 -6.424 -8.183 -16.755 1.00 74.01 O ATOM 585 OD2 ASP A 36 -7.051 -10.204 -17.315 1.00 14.14 O ATOM 0 H ASP A 36 -4.190 -7.822 -15.550 1.00 3.12 H new ATOM 0 HA ASP A 36 -5.009 -10.437 -14.799 1.00 4.43 H new ATOM 0 HB2 ASP A 36 -4.051 -9.194 -17.418 1.00 52.43 H new ATOM 0 HB3 ASP A 36 -4.612 -10.851 -17.311 1.00 52.43 H new ATOM 590 N LYS A 37 -1.789 -10.069 -15.390 1.00 5.02 N ATOM 591 CA LYS A 37 -0.458 -10.680 -15.224 1.00 15.51 C ATOM 592 C LYS A 37 0.556 -9.564 -14.896 1.00 70.33 C ATOM 593 O LYS A 37 0.552 -8.520 -15.535 1.00 53.23 O ATOM 594 CB LYS A 37 -0.065 -11.470 -16.523 1.00 40.20 C ATOM 595 CG LYS A 37 1.023 -12.570 -16.352 1.00 73.24 C ATOM 596 CD LYS A 37 2.467 -12.024 -16.214 1.00 51.14 C ATOM 597 CE LYS A 37 3.514 -13.134 -15.994 1.00 4.32 C ATOM 598 NZ LYS A 37 3.327 -13.858 -14.705 1.00 70.15 N ATOM 0 H LYS A 37 -1.755 -9.078 -15.627 1.00 5.02 H new ATOM 0 HA LYS A 37 -0.463 -11.397 -14.403 1.00 15.51 H new ATOM 0 HB2 LYS A 37 -0.964 -11.936 -16.926 1.00 40.20 H new ATOM 0 HB3 LYS A 37 0.284 -10.754 -17.267 1.00 40.20 H new ATOM 0 HG2 LYS A 37 0.786 -13.165 -15.470 1.00 73.24 H new ATOM 0 HG3 LYS A 37 0.982 -13.242 -17.209 1.00 73.24 H new ATOM 0 HD2 LYS A 37 2.724 -11.463 -17.112 1.00 51.14 H new ATOM 0 HD3 LYS A 37 2.507 -11.325 -15.379 1.00 51.14 H new ATOM 0 HE2 LYS A 37 3.459 -13.847 -16.817 1.00 4.32 H new ATOM 0 HE3 LYS A 37 4.512 -12.696 -16.018 1.00 4.32 H new ATOM 0 HZ1 LYS A 37 4.078 -14.569 -14.594 1.00 70.15 H new ATOM 0 HZ2 LYS A 37 3.372 -13.181 -13.917 1.00 70.15 H new ATOM 0 HZ3 LYS A 37 2.400 -14.330 -14.703 1.00 70.15 H new ATOM 612 N VAL A 38 1.416 -9.787 -13.895 1.00 55.15 N ATOM 613 CA VAL A 38 2.472 -8.833 -13.506 1.00 71.52 C ATOM 614 C VAL A 38 3.859 -9.466 -13.737 1.00 5.31 C ATOM 615 O VAL A 38 4.178 -10.521 -13.196 1.00 40.40 O ATOM 616 CB VAL A 38 2.314 -8.362 -12.010 1.00 41.33 C ATOM 617 CG1 VAL A 38 3.535 -7.537 -11.533 1.00 12.23 C ATOM 618 CG2 VAL A 38 1.001 -7.553 -11.818 1.00 22.12 C ATOM 0 H VAL A 38 1.403 -10.635 -13.328 1.00 55.15 H new ATOM 0 HA VAL A 38 2.374 -7.946 -14.132 1.00 71.52 H new ATOM 0 HB VAL A 38 2.262 -9.260 -11.394 1.00 41.33 H new ATOM 0 HG11 VAL A 38 3.386 -7.232 -10.497 1.00 12.23 H new ATOM 0 HG12 VAL A 38 4.436 -8.146 -11.606 1.00 12.23 H new ATOM 0 HG13 VAL A 38 3.643 -6.652 -12.160 1.00 12.23 H new ATOM 0 HG21 VAL A 38 0.916 -7.240 -10.778 1.00 22.12 H new ATOM 0 HG22 VAL A 38 1.018 -6.673 -12.462 1.00 22.12 H new ATOM 0 HG23 VAL A 38 0.147 -8.178 -12.080 1.00 22.12 H new ATOM 628 N VAL A 39 4.647 -8.818 -14.591 1.00 71.13 N ATOM 629 CA VAL A 39 6.061 -9.151 -14.831 1.00 41.33 C ATOM 630 C VAL A 39 6.963 -8.226 -13.979 1.00 71.44 C ATOM 631 O VAL A 39 6.640 -7.057 -13.784 1.00 54.00 O ATOM 632 CB VAL A 39 6.422 -8.962 -16.357 1.00 15.31 C ATOM 633 CG1 VAL A 39 7.855 -9.466 -16.683 1.00 51.21 C ATOM 634 CG2 VAL A 39 5.367 -9.631 -17.270 1.00 75.12 C ATOM 0 H VAL A 39 4.320 -8.030 -15.150 1.00 71.13 H new ATOM 0 HA VAL A 39 6.225 -10.192 -14.552 1.00 41.33 H new ATOM 0 HB VAL A 39 6.407 -7.891 -16.560 1.00 15.31 H new ATOM 0 HG11 VAL A 39 8.061 -9.317 -17.743 1.00 51.21 H new ATOM 0 HG12 VAL A 39 8.580 -8.908 -16.090 1.00 51.21 H new ATOM 0 HG13 VAL A 39 7.931 -10.527 -16.445 1.00 51.21 H new ATOM 0 HG21 VAL A 39 5.643 -9.484 -18.314 1.00 75.12 H new ATOM 0 HG22 VAL A 39 5.323 -10.698 -17.054 1.00 75.12 H new ATOM 0 HG23 VAL A 39 4.390 -9.183 -17.086 1.00 75.12 H new ATOM 644 N SER A 40 8.078 -8.760 -13.463 1.00 2.22 N ATOM 645 CA SER A 40 9.113 -7.953 -12.766 1.00 60.34 C ATOM 646 C SER A 40 10.523 -8.347 -13.235 1.00 73.24 C ATOM 647 O SER A 40 10.731 -9.448 -13.760 1.00 14.02 O ATOM 648 CB SER A 40 8.990 -8.105 -11.235 1.00 51.03 C ATOM 649 OG SER A 40 9.962 -7.336 -10.533 1.00 73.23 O ATOM 0 H SER A 40 8.296 -9.755 -13.511 1.00 2.22 H new ATOM 0 HA SER A 40 8.949 -6.906 -13.020 1.00 60.34 H new ATOM 0 HB2 SER A 40 7.992 -7.798 -10.921 1.00 51.03 H new ATOM 0 HB3 SER A 40 9.099 -9.156 -10.967 1.00 51.03 H new ATOM 0 HG SER A 40 9.844 -7.462 -9.568 1.00 73.23 H new ATOM 655 N ASP A 41 11.483 -7.444 -13.009 1.00 3.20 N ATOM 656 CA ASP A 41 12.865 -7.563 -13.509 1.00 25.24 C ATOM 657 C ASP A 41 13.775 -6.625 -12.671 1.00 22.45 C ATOM 658 O ASP A 41 13.378 -6.189 -11.577 1.00 15.14 O ATOM 659 CB ASP A 41 12.873 -7.207 -15.034 1.00 40.42 C ATOM 660 CG ASP A 41 14.065 -7.798 -15.802 1.00 34.13 C ATOM 661 OD1 ASP A 41 14.019 -8.995 -16.141 1.00 13.20 O ATOM 662 OD2 ASP A 41 15.053 -7.070 -16.058 1.00 0.34 O ATOM 0 H ASP A 41 11.324 -6.596 -12.466 1.00 3.20 H new ATOM 0 HA ASP A 41 13.250 -8.577 -13.403 1.00 25.24 H new ATOM 0 HB2 ASP A 41 11.948 -7.565 -15.486 1.00 40.42 H new ATOM 0 HB3 ASP A 41 12.883 -6.123 -15.144 1.00 40.42 H new ATOM 667 N ASP A 42 15.000 -6.360 -13.151 1.00 42.22 N ATOM 668 CA ASP A 42 15.895 -5.346 -12.567 1.00 23.43 C ATOM 669 C ASP A 42 15.215 -3.946 -12.564 1.00 24.45 C ATOM 670 O ASP A 42 15.098 -3.302 -13.614 1.00 10.10 O ATOM 671 CB ASP A 42 17.233 -5.341 -13.355 1.00 43.42 C ATOM 672 CG ASP A 42 18.182 -4.180 -12.986 1.00 32.24 C ATOM 673 OD1 ASP A 42 18.419 -3.935 -11.782 1.00 23.42 O ATOM 674 OD2 ASP A 42 18.681 -3.492 -13.903 1.00 70.41 O ATOM 0 H ASP A 42 15.399 -6.843 -13.956 1.00 42.22 H new ATOM 0 HA ASP A 42 16.106 -5.593 -11.527 1.00 23.43 H new ATOM 0 HB2 ASP A 42 17.748 -6.286 -13.180 1.00 43.42 H new ATOM 0 HB3 ASP A 42 17.013 -5.291 -14.421 1.00 43.42 H new ATOM 679 N LYS A 43 14.707 -3.554 -11.367 1.00 70.12 N ATOM 680 CA LYS A 43 14.018 -2.259 -11.088 1.00 4.50 C ATOM 681 C LYS A 43 12.575 -2.158 -11.675 1.00 12.42 C ATOM 682 O LYS A 43 11.706 -1.554 -11.047 1.00 22.04 O ATOM 683 CB LYS A 43 14.881 -1.031 -11.518 1.00 41.11 C ATOM 684 CG LYS A 43 16.180 -0.838 -10.694 1.00 70.44 C ATOM 685 CD LYS A 43 17.029 0.369 -11.172 1.00 74.53 C ATOM 686 CE LYS A 43 17.651 0.148 -12.562 1.00 11.31 C ATOM 687 NZ LYS A 43 18.643 -0.961 -12.553 1.00 61.52 N ATOM 0 H LYS A 43 14.766 -4.148 -10.540 1.00 70.12 H new ATOM 0 HA LYS A 43 13.902 -2.238 -10.004 1.00 4.50 H new ATOM 0 HB2 LYS A 43 15.146 -1.139 -12.570 1.00 41.11 H new ATOM 0 HB3 LYS A 43 14.275 -0.129 -11.433 1.00 41.11 H new ATOM 0 HG2 LYS A 43 15.920 -0.699 -9.645 1.00 70.44 H new ATOM 0 HG3 LYS A 43 16.781 -1.745 -10.756 1.00 70.44 H new ATOM 0 HD2 LYS A 43 16.403 1.261 -11.197 1.00 74.53 H new ATOM 0 HD3 LYS A 43 17.823 0.558 -10.450 1.00 74.53 H new ATOM 0 HE2 LYS A 43 16.863 -0.075 -13.282 1.00 11.31 H new ATOM 0 HE3 LYS A 43 18.135 1.066 -12.894 1.00 11.31 H new ATOM 0 HZ1 LYS A 43 19.587 -0.584 -12.775 1.00 61.52 H new ATOM 0 HZ2 LYS A 43 18.660 -1.404 -11.612 1.00 61.52 H new ATOM 0 HZ3 LYS A 43 18.377 -1.670 -13.265 1.00 61.52 H new ATOM 701 N THR A 44 12.314 -2.768 -12.847 1.00 11.23 N ATOM 702 CA THR A 44 11.027 -2.602 -13.572 1.00 61.31 C ATOM 703 C THR A 44 9.988 -3.657 -13.142 1.00 34.33 C ATOM 704 O THR A 44 10.273 -4.851 -13.131 1.00 34.55 O ATOM 705 CB THR A 44 11.226 -2.726 -15.125 1.00 41.12 C ATOM 706 OG1 THR A 44 12.227 -1.797 -15.568 1.00 73.10 O ATOM 707 CG2 THR A 44 9.917 -2.475 -15.906 1.00 41.52 C ATOM 0 H THR A 44 12.977 -3.384 -13.318 1.00 11.23 H new ATOM 0 HA THR A 44 10.664 -1.606 -13.319 1.00 61.31 H new ATOM 0 HB THR A 44 11.545 -3.749 -15.326 1.00 41.12 H new ATOM 0 HG1 THR A 44 12.346 -1.882 -16.537 1.00 73.10 H new ATOM 0 HG21 THR A 44 10.107 -2.572 -16.975 1.00 41.52 H new ATOM 0 HG22 THR A 44 9.167 -3.205 -15.603 1.00 41.52 H new ATOM 0 HG23 THR A 44 9.553 -1.470 -15.692 1.00 41.52 H new ATOM 715 N VAL A 45 8.781 -3.184 -12.797 1.00 13.01 N ATOM 716 CA VAL A 45 7.581 -4.026 -12.603 1.00 10.43 C ATOM 717 C VAL A 45 6.514 -3.624 -13.648 1.00 31.24 C ATOM 718 O VAL A 45 5.852 -2.586 -13.523 1.00 1.41 O ATOM 719 CB VAL A 45 6.996 -3.919 -11.138 1.00 3.44 C ATOM 720 CG1 VAL A 45 5.674 -4.714 -10.995 1.00 12.13 C ATOM 721 CG2 VAL A 45 8.023 -4.418 -10.102 1.00 52.44 C ATOM 0 H VAL A 45 8.604 -2.192 -12.642 1.00 13.01 H new ATOM 0 HA VAL A 45 7.869 -5.068 -12.742 1.00 10.43 H new ATOM 0 HB VAL A 45 6.783 -2.867 -10.949 1.00 3.44 H new ATOM 0 HG11 VAL A 45 5.300 -4.618 -9.976 1.00 12.13 H new ATOM 0 HG12 VAL A 45 4.934 -4.318 -11.691 1.00 12.13 H new ATOM 0 HG13 VAL A 45 5.856 -5.765 -11.218 1.00 12.13 H new ATOM 0 HG21 VAL A 45 7.600 -4.335 -9.101 1.00 52.44 H new ATOM 0 HG22 VAL A 45 8.270 -5.460 -10.307 1.00 52.44 H new ATOM 0 HG23 VAL A 45 8.927 -3.812 -10.165 1.00 52.44 H new ATOM 731 N THR A 46 6.393 -4.440 -14.697 1.00 73.33 N ATOM 732 CA THR A 46 5.436 -4.226 -15.795 1.00 45.30 C ATOM 733 C THR A 46 4.111 -4.959 -15.502 1.00 5.22 C ATOM 734 O THR A 46 4.070 -6.185 -15.498 1.00 3.53 O ATOM 735 CB THR A 46 6.032 -4.743 -17.148 1.00 73.44 C ATOM 736 OG1 THR A 46 7.310 -4.123 -17.372 1.00 45.21 O ATOM 737 CG2 THR A 46 5.110 -4.454 -18.354 1.00 63.51 C ATOM 0 H THR A 46 6.961 -5.279 -14.813 1.00 73.33 H new ATOM 0 HA THR A 46 5.243 -3.156 -15.876 1.00 45.30 H new ATOM 0 HB THR A 46 6.133 -5.825 -17.065 1.00 73.44 H new ATOM 0 HG1 THR A 46 7.836 -4.671 -17.991 1.00 45.21 H new ATOM 0 HG21 THR A 46 5.573 -4.834 -19.265 1.00 63.51 H new ATOM 0 HG22 THR A 46 4.149 -4.945 -18.203 1.00 63.51 H new ATOM 0 HG23 THR A 46 4.957 -3.379 -18.446 1.00 63.51 H new ATOM 745 N PHE A 47 3.037 -4.204 -15.255 1.00 21.21 N ATOM 746 CA PHE A 47 1.678 -4.768 -15.095 1.00 64.41 C ATOM 747 C PHE A 47 1.069 -4.979 -16.493 1.00 53.33 C ATOM 748 O PHE A 47 1.350 -4.203 -17.400 1.00 63.32 O ATOM 749 CB PHE A 47 0.767 -3.806 -14.279 1.00 11.40 C ATOM 750 CG PHE A 47 1.462 -3.086 -13.126 1.00 33.34 C ATOM 751 CD1 PHE A 47 1.808 -3.756 -11.954 1.00 1.23 C ATOM 752 CD2 PHE A 47 1.766 -1.728 -13.218 1.00 51.41 C ATOM 753 CE1 PHE A 47 2.431 -3.087 -10.918 1.00 55.31 C ATOM 754 CE2 PHE A 47 2.390 -1.063 -12.186 1.00 63.21 C ATOM 755 CZ PHE A 47 2.724 -1.743 -11.031 1.00 42.31 C ATOM 0 H PHE A 47 3.076 -3.189 -15.159 1.00 21.21 H new ATOM 0 HA PHE A 47 1.747 -5.713 -14.556 1.00 64.41 H new ATOM 0 HB2 PHE A 47 0.352 -3.060 -14.957 1.00 11.40 H new ATOM 0 HB3 PHE A 47 -0.072 -4.375 -13.879 1.00 11.40 H new ATOM 0 HD1 PHE A 47 1.587 -4.808 -11.855 1.00 1.23 H new ATOM 0 HD2 PHE A 47 1.507 -1.187 -14.116 1.00 51.41 H new ATOM 0 HE1 PHE A 47 2.690 -3.619 -10.014 1.00 55.31 H new ATOM 0 HE2 PHE A 47 2.618 -0.011 -12.280 1.00 63.21 H new ATOM 0 HZ PHE A 47 3.213 -1.225 -10.219 1.00 42.31 H new ATOM 765 N CYS A 48 0.227 -6.002 -16.656 1.00 53.41 N ATOM 766 CA CYS A 48 -0.404 -6.324 -17.956 1.00 62.41 C ATOM 767 C CYS A 48 -1.882 -6.711 -17.765 1.00 43.21 C ATOM 768 O CYS A 48 -2.217 -7.486 -16.865 1.00 72.51 O ATOM 769 CB CYS A 48 0.362 -7.464 -18.663 1.00 41.13 C ATOM 770 SG CYS A 48 -0.299 -7.900 -20.289 1.00 42.42 S ATOM 0 H CYS A 48 -0.041 -6.633 -15.900 1.00 53.41 H new ATOM 0 HA CYS A 48 -0.360 -5.434 -18.584 1.00 62.41 H new ATOM 0 HB2 CYS A 48 1.406 -7.172 -18.774 1.00 41.13 H new ATOM 0 HB3 CYS A 48 0.344 -8.349 -18.026 1.00 41.13 H new ATOM 0 HG CYS A 48 -0.756 -6.832 -20.872 1.00 42.42 H new ATOM 776 N TRP A 49 -2.762 -6.149 -18.614 1.00 63.30 N ATOM 777 CA TRP A 49 -4.229 -6.381 -18.553 1.00 53.51 C ATOM 778 C TRP A 49 -4.768 -7.069 -19.826 1.00 62.54 C ATOM 779 O TRP A 49 -5.977 -7.300 -19.943 1.00 11.13 O ATOM 780 CB TRP A 49 -4.967 -5.039 -18.318 1.00 13.11 C ATOM 781 CG TRP A 49 -4.627 -4.389 -16.996 1.00 71.52 C ATOM 782 CD1 TRP A 49 -5.229 -4.621 -15.793 1.00 34.34 C ATOM 783 CD2 TRP A 49 -3.594 -3.423 -16.745 1.00 2.51 C ATOM 784 NE1 TRP A 49 -4.653 -3.848 -14.820 1.00 13.03 N ATOM 785 CE2 TRP A 49 -3.649 -3.105 -15.376 1.00 13.04 C ATOM 786 CE3 TRP A 49 -2.640 -2.789 -17.549 1.00 23.30 C ATOM 787 CZ2 TRP A 49 -2.783 -2.191 -14.787 1.00 31.42 C ATOM 788 CZ3 TRP A 49 -1.780 -1.882 -16.965 1.00 53.01 C ATOM 789 CH2 TRP A 49 -1.858 -1.587 -15.594 1.00 33.50 C ATOM 0 H TRP A 49 -2.482 -5.519 -19.366 1.00 63.30 H new ATOM 0 HA TRP A 49 -4.418 -7.056 -17.718 1.00 53.51 H new ATOM 0 HB2 TRP A 49 -4.720 -4.351 -19.127 1.00 13.11 H new ATOM 0 HB3 TRP A 49 -6.042 -5.212 -18.363 1.00 13.11 H new ATOM 0 HD1 TRP A 49 -6.042 -5.314 -15.632 1.00 34.34 H new ATOM 0 HE1 TRP A 49 -4.929 -3.830 -13.838 1.00 13.03 H new ATOM 0 HE3 TRP A 49 -2.578 -3.005 -18.605 1.00 23.30 H new ATOM 0 HZ2 TRP A 49 -2.838 -1.966 -13.732 1.00 31.42 H new ATOM 0 HZ3 TRP A 49 -1.034 -1.391 -17.572 1.00 53.01 H new ATOM 0 HH2 TRP A 49 -1.174 -0.868 -15.168 1.00 33.50 H new ATOM 800 N GLY A 50 -3.870 -7.405 -20.769 1.00 74.02 N ATOM 801 CA GLY A 50 -4.279 -8.046 -22.023 1.00 11.44 C ATOM 802 C GLY A 50 -3.120 -8.275 -22.989 1.00 21.40 C ATOM 803 O GLY A 50 -2.096 -8.850 -22.614 1.00 32.04 O ATOM 0 H GLY A 50 -2.866 -7.244 -20.685 1.00 74.02 H new ATOM 0 HA2 GLY A 50 -4.749 -9.003 -21.797 1.00 11.44 H new ATOM 0 HA3 GLY A 50 -5.033 -7.427 -22.510 1.00 11.44 H new ATOM 807 N LYS A 51 -3.302 -7.832 -24.245 1.00 51.54 N ATOM 808 CA LYS A 51 -2.339 -8.044 -25.351 1.00 51.25 C ATOM 809 C LYS A 51 -1.486 -6.771 -25.585 1.00 12.11 C ATOM 810 O LYS A 51 -0.256 -6.840 -25.671 1.00 3.21 O ATOM 811 CB LYS A 51 -3.089 -8.439 -26.670 1.00 34.40 C ATOM 812 CG LYS A 51 -3.846 -9.803 -26.641 1.00 70.24 C ATOM 813 CD LYS A 51 -5.139 -9.806 -25.778 1.00 61.13 C ATOM 814 CE LYS A 51 -6.213 -8.824 -26.285 1.00 0.20 C ATOM 815 NZ LYS A 51 -7.462 -8.886 -25.481 1.00 4.25 N ATOM 0 H LYS A 51 -4.131 -7.310 -24.529 1.00 51.54 H new ATOM 0 HA LYS A 51 -1.676 -8.862 -25.069 1.00 51.25 H new ATOM 0 HB2 LYS A 51 -3.806 -7.653 -26.907 1.00 34.40 H new ATOM 0 HB3 LYS A 51 -2.364 -8.465 -27.483 1.00 34.40 H new ATOM 0 HG2 LYS A 51 -4.106 -10.081 -27.662 1.00 70.24 H new ATOM 0 HG3 LYS A 51 -3.171 -10.571 -26.263 1.00 70.24 H new ATOM 0 HD2 LYS A 51 -5.555 -10.813 -25.764 1.00 61.13 H new ATOM 0 HD3 LYS A 51 -4.882 -9.553 -24.750 1.00 61.13 H new ATOM 0 HE2 LYS A 51 -5.816 -7.809 -26.257 1.00 0.20 H new ATOM 0 HE3 LYS A 51 -6.443 -9.048 -27.327 1.00 0.20 H new ATOM 0 HZ1 LYS A 51 -8.153 -8.208 -25.861 1.00 4.25 H new ATOM 0 HZ2 LYS A 51 -7.858 -9.847 -25.528 1.00 4.25 H new ATOM 0 HZ3 LYS A 51 -7.250 -8.647 -24.491 1.00 4.25 H new ATOM 829 N THR A 52 -2.168 -5.609 -25.694 1.00 13.53 N ATOM 830 CA THR A 52 -1.522 -4.282 -25.925 1.00 4.44 C ATOM 831 C THR A 52 -1.594 -3.379 -24.662 1.00 20.10 C ATOM 832 O THR A 52 -1.275 -2.186 -24.719 1.00 61.20 O ATOM 833 CB THR A 52 -2.199 -3.542 -27.135 1.00 70.13 C ATOM 834 OG1 THR A 52 -3.593 -3.301 -26.849 1.00 31.20 O ATOM 835 CG2 THR A 52 -2.079 -4.352 -28.442 1.00 62.13 C ATOM 0 H THR A 52 -3.184 -5.557 -25.625 1.00 13.53 H new ATOM 0 HA THR A 52 -0.473 -4.471 -26.153 1.00 4.44 H new ATOM 0 HB THR A 52 -1.677 -2.595 -27.273 1.00 70.13 H new ATOM 0 HG1 THR A 52 -4.007 -2.838 -27.607 1.00 31.20 H new ATOM 0 HG21 THR A 52 -2.559 -3.806 -29.254 1.00 62.13 H new ATOM 0 HG22 THR A 52 -1.026 -4.504 -28.680 1.00 62.13 H new ATOM 0 HG23 THR A 52 -2.566 -5.319 -28.317 1.00 62.13 H new ATOM 843 N GLU A 53 -1.990 -3.970 -23.522 1.00 2.40 N ATOM 844 CA GLU A 53 -2.225 -3.242 -22.254 1.00 73.44 C ATOM 845 C GLU A 53 -1.095 -3.528 -21.237 1.00 52.43 C ATOM 846 O GLU A 53 -1.047 -4.618 -20.654 1.00 64.15 O ATOM 847 CB GLU A 53 -3.594 -3.671 -21.658 1.00 1.53 C ATOM 848 CG GLU A 53 -4.808 -3.379 -22.560 1.00 23.23 C ATOM 849 CD GLU A 53 -6.118 -3.966 -22.008 1.00 33.44 C ATOM 850 OE1 GLU A 53 -6.762 -3.322 -21.153 1.00 61.34 O ATOM 851 OE2 GLU A 53 -6.507 -5.074 -22.429 1.00 52.14 O ATOM 0 H GLU A 53 -2.158 -4.973 -23.449 1.00 2.40 H new ATOM 0 HA GLU A 53 -2.234 -2.172 -22.462 1.00 73.44 H new ATOM 0 HB2 GLU A 53 -3.564 -4.740 -21.447 1.00 1.53 H new ATOM 0 HB3 GLU A 53 -3.736 -3.162 -20.705 1.00 1.53 H new ATOM 0 HG2 GLU A 53 -4.919 -2.301 -22.674 1.00 23.23 H new ATOM 0 HG3 GLU A 53 -4.623 -3.787 -23.553 1.00 23.23 H new ATOM 858 N GLN A 54 -0.183 -2.559 -21.048 1.00 62.01 N ATOM 859 CA GLN A 54 0.909 -2.664 -20.052 1.00 12.11 C ATOM 860 C GLN A 54 1.229 -1.301 -19.403 1.00 44.03 C ATOM 861 O GLN A 54 0.897 -0.241 -19.947 1.00 15.14 O ATOM 862 CB GLN A 54 2.193 -3.274 -20.692 1.00 12.55 C ATOM 863 CG GLN A 54 2.889 -2.375 -21.736 1.00 44.30 C ATOM 864 CD GLN A 54 4.185 -2.977 -22.295 1.00 23.01 C ATOM 865 OE1 GLN A 54 5.265 -2.782 -21.741 1.00 22.12 O ATOM 866 NE2 GLN A 54 4.095 -3.685 -23.403 1.00 52.15 N ATOM 0 H GLN A 54 -0.177 -1.685 -21.574 1.00 62.01 H new ATOM 0 HA GLN A 54 0.560 -3.333 -19.265 1.00 12.11 H new ATOM 0 HB2 GLN A 54 2.904 -3.501 -19.898 1.00 12.55 H new ATOM 0 HB3 GLN A 54 1.931 -4.220 -21.166 1.00 12.55 H new ATOM 0 HG2 GLN A 54 2.200 -2.188 -22.560 1.00 44.30 H new ATOM 0 HG3 GLN A 54 3.112 -1.410 -21.281 1.00 44.30 H new ATOM 0 HE21 GLN A 54 3.186 -3.832 -23.842 1.00 52.15 H new ATOM 0 HE22 GLN A 54 4.934 -4.086 -23.821 1.00 52.15 H new ATOM 875 N ARG A 55 1.880 -1.357 -18.227 1.00 72.11 N ATOM 876 CA ARG A 55 2.316 -0.171 -17.472 1.00 20.32 C ATOM 877 C ARG A 55 3.552 -0.544 -16.631 1.00 24.33 C ATOM 878 O ARG A 55 3.456 -1.374 -15.738 1.00 23.24 O ATOM 879 CB ARG A 55 1.162 0.311 -16.549 1.00 4.14 C ATOM 880 CG ARG A 55 1.406 1.650 -15.823 1.00 52.52 C ATOM 881 CD ARG A 55 1.462 2.848 -16.789 1.00 34.51 C ATOM 882 NE ARG A 55 1.576 4.137 -16.082 1.00 64.13 N ATOM 883 CZ ARG A 55 1.180 5.302 -16.554 1.00 2.41 C ATOM 884 NH1 ARG A 55 0.587 5.398 -17.707 1.00 14.40 N ATOM 885 NH2 ARG A 55 1.373 6.367 -15.859 1.00 40.11 N ATOM 0 H ARG A 55 2.120 -2.237 -17.770 1.00 72.11 H new ATOM 0 HA ARG A 55 2.575 0.636 -18.158 1.00 20.32 H new ATOM 0 HB2 ARG A 55 0.256 0.402 -17.148 1.00 4.14 H new ATOM 0 HB3 ARG A 55 0.973 -0.459 -15.801 1.00 4.14 H new ATOM 0 HG2 ARG A 55 0.612 1.813 -15.094 1.00 52.52 H new ATOM 0 HG3 ARG A 55 2.342 1.592 -15.268 1.00 52.52 H new ATOM 0 HD2 ARG A 55 2.312 2.729 -17.461 1.00 34.51 H new ATOM 0 HD3 ARG A 55 0.565 2.854 -17.408 1.00 34.51 H new ATOM 0 HE ARG A 55 1.995 4.126 -15.152 1.00 64.13 H new ATOM 0 HH11 ARG A 55 0.420 4.561 -18.266 1.00 14.40 H new ATOM 0 HH12 ARG A 55 0.289 6.310 -18.053 1.00 14.40 H new ATOM 0 HH21 ARG A 55 1.830 6.306 -14.949 1.00 40.11 H new ATOM 0 HH22 ARG A 55 1.069 7.272 -16.218 1.00 40.11 H new ATOM 899 N GLN A 56 4.706 0.056 -16.923 1.00 33.33 N ATOM 900 CA GLN A 56 5.974 -0.279 -16.226 1.00 10.13 C ATOM 901 C GLN A 56 6.209 0.698 -15.058 1.00 40.52 C ATOM 902 O GLN A 56 5.941 1.895 -15.187 1.00 14.25 O ATOM 903 CB GLN A 56 7.156 -0.252 -17.230 1.00 24.04 C ATOM 904 CG GLN A 56 6.887 -1.041 -18.527 1.00 45.10 C ATOM 905 CD GLN A 56 8.114 -1.185 -19.424 1.00 64.53 C ATOM 906 OE1 GLN A 56 8.381 -0.354 -20.281 1.00 1.40 O ATOM 907 NE2 GLN A 56 8.862 -2.254 -19.240 1.00 5.43 N ATOM 0 H GLN A 56 4.802 0.779 -17.636 1.00 33.33 H new ATOM 0 HA GLN A 56 5.904 -1.286 -15.814 1.00 10.13 H new ATOM 0 HB2 GLN A 56 7.380 0.784 -17.485 1.00 24.04 H new ATOM 0 HB3 GLN A 56 8.043 -0.660 -16.745 1.00 24.04 H new ATOM 0 HG2 GLN A 56 6.519 -2.034 -18.268 1.00 45.10 H new ATOM 0 HG3 GLN A 56 6.095 -0.543 -19.087 1.00 45.10 H new ATOM 0 HE21 GLN A 56 8.616 -2.931 -18.518 1.00 5.43 H new ATOM 0 HE22 GLN A 56 9.687 -2.405 -19.820 1.00 5.43 H new ATOM 916 N ALA A 57 6.704 0.176 -13.920 1.00 53.33 N ATOM 917 CA ALA A 57 6.911 0.970 -12.688 1.00 33.23 C ATOM 918 C ALA A 57 8.221 0.571 -11.974 1.00 34.31 C ATOM 919 O ALA A 57 8.382 -0.575 -11.545 1.00 72.40 O ATOM 920 CB ALA A 57 5.706 0.800 -11.741 1.00 53.41 C ATOM 0 H ALA A 57 6.972 -0.804 -13.826 1.00 53.33 H new ATOM 0 HA ALA A 57 6.996 2.019 -12.971 1.00 33.23 H new ATOM 0 HB1 ALA A 57 5.868 1.388 -10.837 1.00 53.41 H new ATOM 0 HB2 ALA A 57 4.800 1.143 -12.240 1.00 53.41 H new ATOM 0 HB3 ALA A 57 5.598 -0.252 -11.475 1.00 53.41 H new ATOM 926 N GLY A 58 9.139 1.542 -11.847 1.00 41.23 N ATOM 927 CA GLY A 58 10.415 1.341 -11.162 1.00 23.11 C ATOM 928 C GLY A 58 10.318 1.510 -9.646 1.00 3.23 C ATOM 929 O GLY A 58 9.735 2.495 -9.162 1.00 71.30 O ATOM 0 H GLY A 58 9.013 2.484 -12.217 1.00 41.23 H new ATOM 0 HA2 GLY A 58 10.787 0.341 -11.387 1.00 23.11 H new ATOM 0 HA3 GLY A 58 11.146 2.048 -11.554 1.00 23.11 H new ATOM 933 N ILE A 59 10.873 0.538 -8.890 1.00 74.21 N ATOM 934 CA ILE A 59 11.012 0.657 -7.422 1.00 31.24 C ATOM 935 C ILE A 59 12.121 1.685 -7.116 1.00 14.13 C ATOM 936 O ILE A 59 13.300 1.437 -7.412 1.00 5.42 O ATOM 937 CB ILE A 59 11.360 -0.704 -6.680 1.00 4.44 C ATOM 938 CG1 ILE A 59 10.256 -1.798 -6.878 1.00 64.54 C ATOM 939 CG2 ILE A 59 11.593 -0.449 -5.169 1.00 4.43 C ATOM 940 CD1 ILE A 59 10.245 -2.458 -8.236 1.00 23.23 C ATOM 0 H ILE A 59 11.232 -0.337 -9.272 1.00 74.21 H new ATOM 0 HA ILE A 59 10.038 0.969 -7.045 1.00 31.24 H new ATOM 0 HB ILE A 59 12.275 -1.086 -7.132 1.00 4.44 H new ATOM 0 HG12 ILE A 59 10.389 -2.568 -6.118 1.00 64.54 H new ATOM 0 HG13 ILE A 59 9.281 -1.344 -6.704 1.00 64.54 H new ATOM 0 HG21 ILE A 59 11.830 -1.390 -4.674 1.00 4.43 H new ATOM 0 HG22 ILE A 59 12.422 0.248 -5.041 1.00 4.43 H new ATOM 0 HG23 ILE A 59 10.691 -0.025 -4.728 1.00 4.43 H new ATOM 0 HD11 ILE A 59 9.446 -3.199 -8.274 1.00 23.23 H new ATOM 0 HD12 ILE A 59 10.078 -1.704 -9.005 1.00 23.23 H new ATOM 0 HD13 ILE A 59 11.203 -2.948 -8.410 1.00 23.23 H new ATOM 952 N VAL A 60 11.743 2.830 -6.535 1.00 4.21 N ATOM 953 CA VAL A 60 12.705 3.892 -6.189 1.00 22.41 C ATOM 954 C VAL A 60 13.368 3.637 -4.805 1.00 72.01 C ATOM 955 O VAL A 60 14.465 4.138 -4.543 1.00 11.04 O ATOM 956 CB VAL A 60 12.025 5.311 -6.259 1.00 65.12 C ATOM 957 CG1 VAL A 60 11.521 5.612 -7.698 1.00 45.21 C ATOM 958 CG2 VAL A 60 10.872 5.451 -5.235 1.00 52.55 C ATOM 0 H VAL A 60 10.777 3.048 -6.293 1.00 4.21 H new ATOM 0 HA VAL A 60 13.504 3.872 -6.930 1.00 22.41 H new ATOM 0 HB VAL A 60 12.785 6.047 -5.996 1.00 65.12 H new ATOM 0 HG11 VAL A 60 11.055 6.597 -7.722 1.00 45.21 H new ATOM 0 HG12 VAL A 60 12.363 5.592 -8.390 1.00 45.21 H new ATOM 0 HG13 VAL A 60 10.791 4.858 -7.993 1.00 45.21 H new ATOM 0 HG21 VAL A 60 10.431 6.444 -5.317 1.00 52.55 H new ATOM 0 HG22 VAL A 60 10.111 4.698 -5.439 1.00 52.55 H new ATOM 0 HG23 VAL A 60 11.262 5.309 -4.227 1.00 52.55 H new ATOM 968 N ALA A 61 12.687 2.840 -3.941 1.00 3.43 N ATOM 969 CA ALA A 61 13.237 2.364 -2.641 1.00 34.25 C ATOM 970 C ALA A 61 12.342 1.257 -2.013 1.00 52.45 C ATOM 971 O ALA A 61 11.116 1.257 -2.191 1.00 44.02 O ATOM 972 CB ALA A 61 13.441 3.526 -1.646 1.00 72.53 C ATOM 0 H ALA A 61 11.740 2.508 -4.125 1.00 3.43 H new ATOM 0 HA ALA A 61 14.214 1.930 -2.852 1.00 34.25 H new ATOM 0 HB1 ALA A 61 13.843 3.137 -0.710 1.00 72.53 H new ATOM 0 HB2 ALA A 61 14.139 4.249 -2.069 1.00 72.53 H new ATOM 0 HB3 ALA A 61 12.485 4.014 -1.455 1.00 72.53 H new ATOM 978 N ILE A 62 12.982 0.315 -1.290 1.00 51.15 N ATOM 979 CA ILE A 62 12.298 -0.812 -0.602 1.00 34.25 C ATOM 980 C ILE A 62 13.198 -1.386 0.537 1.00 42.15 C ATOM 981 O ILE A 62 14.433 -1.322 0.457 1.00 73.14 O ATOM 982 CB ILE A 62 11.904 -1.964 -1.622 1.00 25.23 C ATOM 983 CG1 ILE A 62 11.148 -3.131 -0.899 1.00 25.32 C ATOM 984 CG2 ILE A 62 13.150 -2.482 -2.389 1.00 24.01 C ATOM 985 CD1 ILE A 62 10.700 -4.267 -1.796 1.00 40.32 C ATOM 0 H ILE A 62 13.994 0.310 -1.163 1.00 51.15 H new ATOM 0 HA ILE A 62 11.379 -0.421 -0.165 1.00 34.25 H new ATOM 0 HB ILE A 62 11.219 -1.539 -2.356 1.00 25.23 H new ATOM 0 HG12 ILE A 62 11.798 -3.537 -0.123 1.00 25.32 H new ATOM 0 HG13 ILE A 62 10.272 -2.719 -0.398 1.00 25.32 H new ATOM 0 HG21 ILE A 62 12.850 -3.270 -3.080 1.00 24.01 H new ATOM 0 HG22 ILE A 62 13.601 -1.662 -2.947 1.00 24.01 H new ATOM 0 HG23 ILE A 62 13.875 -2.879 -1.679 1.00 24.01 H new ATOM 0 HD11 ILE A 62 10.188 -5.022 -1.199 1.00 40.32 H new ATOM 0 HD12 ILE A 62 10.020 -3.883 -2.557 1.00 40.32 H new ATOM 0 HD13 ILE A 62 11.569 -4.714 -2.278 1.00 40.32 H new ATOM 997 N ARG A 63 12.565 -1.929 1.603 1.00 61.11 N ATOM 998 CA ARG A 63 13.274 -2.612 2.709 1.00 20.41 C ATOM 999 C ARG A 63 12.325 -3.596 3.436 1.00 5.35 C ATOM 1000 O ARG A 63 11.477 -3.163 4.225 1.00 20.21 O ATOM 1001 CB ARG A 63 13.849 -1.577 3.710 1.00 43.23 C ATOM 1002 CG ARG A 63 14.678 -2.174 4.871 1.00 20.30 C ATOM 1003 CD ARG A 63 15.346 -1.085 5.729 1.00 50.35 C ATOM 1004 NE ARG A 63 16.213 -0.209 4.914 1.00 41.34 N ATOM 1005 CZ ARG A 63 16.902 0.815 5.353 1.00 44.41 C ATOM 1006 NH1 ARG A 63 16.913 1.135 6.610 1.00 72.35 N ATOM 1007 NH2 ARG A 63 17.593 1.507 4.512 1.00 14.10 N ATOM 0 H ARG A 63 11.552 -1.906 1.720 1.00 61.11 H new ATOM 0 HA ARG A 63 14.103 -3.179 2.286 1.00 20.41 H new ATOM 0 HB2 ARG A 63 14.476 -0.874 3.161 1.00 43.23 H new ATOM 0 HB3 ARG A 63 13.022 -1.005 4.132 1.00 43.23 H new ATOM 0 HG2 ARG A 63 14.031 -2.784 5.501 1.00 20.30 H new ATOM 0 HG3 ARG A 63 15.444 -2.835 4.466 1.00 20.30 H new ATOM 0 HD2 ARG A 63 14.579 -0.485 6.219 1.00 50.35 H new ATOM 0 HD3 ARG A 63 15.937 -1.552 6.517 1.00 50.35 H new ATOM 0 HE ARG A 63 16.281 -0.421 3.919 1.00 41.34 H new ATOM 0 HH11 ARG A 63 16.377 0.585 7.281 1.00 72.35 H new ATOM 0 HH12 ARG A 63 17.457 1.937 6.927 1.00 72.35 H new ATOM 0 HH21 ARG A 63 17.597 1.253 3.524 1.00 14.10 H new ATOM 0 HH22 ARG A 63 18.136 2.308 4.835 1.00 14.10 H new ATOM 1021 N ALA A 64 12.493 -4.908 3.148 1.00 10.14 N ATOM 1022 CA ALA A 64 11.751 -6.030 3.783 1.00 72.10 C ATOM 1023 C ALA A 64 10.205 -5.836 3.792 1.00 35.23 C ATOM 1024 O ALA A 64 9.510 -6.267 2.867 1.00 0.45 O ATOM 1025 CB ALA A 64 12.306 -6.320 5.199 1.00 30.43 C ATOM 0 H ALA A 64 13.165 -5.227 2.450 1.00 10.14 H new ATOM 0 HA ALA A 64 11.922 -6.906 3.158 1.00 72.10 H new ATOM 0 HB1 ALA A 64 11.750 -7.144 5.646 1.00 30.43 H new ATOM 0 HB2 ALA A 64 13.360 -6.590 5.129 1.00 30.43 H new ATOM 0 HB3 ALA A 64 12.200 -5.431 5.821 1.00 30.43 H new ATOM 1031 N TYR A 65 9.695 -5.153 4.829 1.00 1.15 N ATOM 1032 CA TYR A 65 8.253 -4.843 4.991 1.00 12.05 C ATOM 1033 C TYR A 65 8.068 -3.426 5.605 1.00 3.55 C ATOM 1034 O TYR A 65 6.946 -2.925 5.706 1.00 11.42 O ATOM 1035 CB TYR A 65 7.576 -5.932 5.881 1.00 51.13 C ATOM 1036 CG TYR A 65 7.903 -5.880 7.396 1.00 70.42 C ATOM 1037 CD1 TYR A 65 9.216 -5.757 7.875 1.00 62.35 C ATOM 1038 CD2 TYR A 65 6.883 -5.938 8.349 1.00 3.12 C ATOM 1039 CE1 TYR A 65 9.486 -5.701 9.234 1.00 2.23 C ATOM 1040 CE2 TYR A 65 7.146 -5.881 9.700 1.00 74.42 C ATOM 1041 CZ TYR A 65 8.445 -5.762 10.142 1.00 34.20 C ATOM 1042 OH TYR A 65 8.706 -5.704 11.500 1.00 72.51 O ATOM 0 H TYR A 65 10.272 -4.794 5.590 1.00 1.15 H new ATOM 0 HA TYR A 65 7.774 -4.848 4.012 1.00 12.05 H new ATOM 0 HB2 TYR A 65 6.496 -5.849 5.761 1.00 51.13 H new ATOM 0 HB3 TYR A 65 7.865 -6.912 5.502 1.00 51.13 H new ATOM 0 HD1 TYR A 65 10.033 -5.705 7.171 1.00 62.35 H new ATOM 0 HD2 TYR A 65 5.859 -6.030 8.017 1.00 3.12 H new ATOM 0 HE1 TYR A 65 10.505 -5.610 9.582 1.00 2.23 H new ATOM 0 HE2 TYR A 65 6.335 -5.930 10.411 1.00 74.42 H new ATOM 0 HH TYR A 65 7.875 -5.518 11.985 1.00 72.51 H new ATOM 1052 N SER A 66 9.201 -2.789 5.983 1.00 72.34 N ATOM 1053 CA SER A 66 9.230 -1.493 6.702 1.00 12.10 C ATOM 1054 C SER A 66 8.935 -0.286 5.781 1.00 21.12 C ATOM 1055 O SER A 66 8.618 0.796 6.282 1.00 13.23 O ATOM 1056 CB SER A 66 10.603 -1.315 7.396 1.00 54.53 C ATOM 1057 OG SER A 66 10.816 -2.337 8.363 1.00 4.31 O ATOM 0 H SER A 66 10.131 -3.164 5.795 1.00 72.34 H new ATOM 0 HA SER A 66 8.434 -1.518 7.446 1.00 12.10 H new ATOM 0 HB2 SER A 66 11.398 -1.341 6.651 1.00 54.53 H new ATOM 0 HB3 SER A 66 10.649 -0.338 7.877 1.00 54.53 H new ATOM 0 HG SER A 66 11.689 -2.208 8.789 1.00 4.31 H new ATOM 1063 N PHE A 67 9.049 -0.491 4.446 1.00 15.30 N ATOM 1064 CA PHE A 67 8.655 0.500 3.406 1.00 64.12 C ATOM 1065 C PHE A 67 8.869 -0.073 1.989 1.00 0.44 C ATOM 1066 O PHE A 67 9.829 -0.810 1.741 1.00 54.40 O ATOM 1067 CB PHE A 67 9.370 1.890 3.543 1.00 34.12 C ATOM 1068 CG PHE A 67 10.905 1.896 3.454 1.00 63.20 C ATOM 1069 CD1 PHE A 67 11.559 1.957 2.218 1.00 43.11 C ATOM 1070 CD2 PHE A 67 11.692 1.878 4.607 1.00 55.33 C ATOM 1071 CE1 PHE A 67 12.937 2.007 2.141 1.00 63.44 C ATOM 1072 CE2 PHE A 67 13.073 1.921 4.528 1.00 21.42 C ATOM 1073 CZ PHE A 67 13.694 1.986 3.295 1.00 23.32 C ATOM 0 H PHE A 67 9.420 -1.356 4.054 1.00 15.30 H new ATOM 0 HA PHE A 67 7.594 0.686 3.570 1.00 64.12 H new ATOM 0 HB2 PHE A 67 8.983 2.548 2.765 1.00 34.12 H new ATOM 0 HB3 PHE A 67 9.084 2.325 4.501 1.00 34.12 H new ATOM 0 HD1 PHE A 67 10.976 1.965 1.309 1.00 43.11 H new ATOM 0 HD2 PHE A 67 11.216 1.830 5.575 1.00 55.33 H new ATOM 0 HE1 PHE A 67 13.422 2.063 1.178 1.00 63.44 H new ATOM 0 HE2 PHE A 67 13.666 1.904 5.431 1.00 21.42 H new ATOM 0 HZ PHE A 67 14.772 2.020 3.234 1.00 23.32 H new ATOM 1083 N ILE A 68 7.943 0.254 1.084 1.00 72.13 N ATOM 1084 CA ILE A 68 8.065 -0.023 -0.354 1.00 43.55 C ATOM 1085 C ILE A 68 7.271 1.046 -1.139 1.00 3.21 C ATOM 1086 O ILE A 68 6.113 1.321 -0.825 1.00 11.04 O ATOM 1087 CB ILE A 68 7.585 -1.487 -0.719 1.00 21.00 C ATOM 1088 CG1 ILE A 68 7.746 -1.776 -2.249 1.00 14.45 C ATOM 1089 CG2 ILE A 68 6.140 -1.771 -0.228 1.00 30.44 C ATOM 1090 CD1 ILE A 68 7.280 -3.153 -2.685 1.00 53.00 C ATOM 0 H ILE A 68 7.073 0.726 1.331 1.00 72.13 H new ATOM 0 HA ILE A 68 9.117 0.029 -0.635 1.00 43.55 H new ATOM 0 HB ILE A 68 8.236 -2.178 -0.185 1.00 21.00 H new ATOM 0 HG12 ILE A 68 7.188 -1.024 -2.808 1.00 14.45 H new ATOM 0 HG13 ILE A 68 8.796 -1.660 -2.519 1.00 14.45 H new ATOM 0 HG21 ILE A 68 5.856 -2.787 -0.502 1.00 30.44 H new ATOM 0 HG22 ILE A 68 6.096 -1.661 0.856 1.00 30.44 H new ATOM 0 HG23 ILE A 68 5.452 -1.064 -0.693 1.00 30.44 H new ATOM 0 HD11 ILE A 68 7.429 -3.264 -3.759 1.00 53.00 H new ATOM 0 HD12 ILE A 68 7.854 -3.915 -2.158 1.00 53.00 H new ATOM 0 HD13 ILE A 68 6.222 -3.270 -2.452 1.00 53.00 H new ATOM 1102 N ARG A 69 7.903 1.655 -2.156 1.00 25.33 N ATOM 1103 CA ARG A 69 7.287 2.753 -2.934 1.00 4.00 C ATOM 1104 C ARG A 69 7.672 2.650 -4.428 1.00 14.15 C ATOM 1105 O ARG A 69 8.852 2.490 -4.779 1.00 65.51 O ATOM 1106 CB ARG A 69 7.644 4.168 -2.352 1.00 70.11 C ATOM 1107 CG ARG A 69 9.155 4.499 -2.241 1.00 1.53 C ATOM 1108 CD ARG A 69 9.845 3.909 -0.995 1.00 53.21 C ATOM 1109 NE ARG A 69 9.508 4.615 0.255 1.00 63.31 N ATOM 1110 CZ ARG A 69 10.385 5.071 1.136 1.00 74.04 C ATOM 1111 NH1 ARG A 69 11.657 5.043 0.893 1.00 64.14 N ATOM 1112 NH2 ARG A 69 9.977 5.571 2.253 1.00 24.45 N ATOM 0 H ARG A 69 8.844 1.407 -2.463 1.00 25.33 H new ATOM 0 HA ARG A 69 6.206 2.641 -2.849 1.00 4.00 H new ATOM 0 HB2 ARG A 69 7.172 4.925 -2.978 1.00 70.11 H new ATOM 0 HB3 ARG A 69 7.200 4.253 -1.360 1.00 70.11 H new ATOM 0 HG2 ARG A 69 9.662 4.129 -3.132 1.00 1.53 H new ATOM 0 HG3 ARG A 69 9.278 5.582 -2.231 1.00 1.53 H new ATOM 0 HD2 ARG A 69 9.565 2.860 -0.897 1.00 53.21 H new ATOM 0 HD3 ARG A 69 10.925 3.938 -1.140 1.00 53.21 H new ATOM 0 HE ARG A 69 8.519 4.764 0.457 1.00 63.31 H new ATOM 0 HH11 ARG A 69 11.999 4.665 0.010 1.00 64.14 H new ATOM 0 HH12 ARG A 69 12.316 5.399 1.585 1.00 64.14 H new ATOM 0 HH21 ARG A 69 8.979 5.615 2.458 1.00 24.45 H new ATOM 0 HH22 ARG A 69 10.653 5.922 2.932 1.00 24.45 H new ATOM 1126 N PHE A 70 6.648 2.723 -5.298 1.00 13.21 N ATOM 1127 CA PHE A 70 6.804 2.617 -6.766 1.00 13.21 C ATOM 1128 C PHE A 70 6.649 3.994 -7.441 1.00 10.23 C ATOM 1129 O PHE A 70 6.033 4.916 -6.886 1.00 23.25 O ATOM 1130 CB PHE A 70 5.740 1.648 -7.356 1.00 31.40 C ATOM 1131 CG PHE A 70 5.837 0.205 -6.861 1.00 22.53 C ATOM 1132 CD1 PHE A 70 5.251 -0.181 -5.654 1.00 42.05 C ATOM 1133 CD2 PHE A 70 6.513 -0.766 -7.606 1.00 64.52 C ATOM 1134 CE1 PHE A 70 5.340 -1.484 -5.212 1.00 74.21 C ATOM 1135 CE2 PHE A 70 6.596 -2.071 -7.158 1.00 11.10 C ATOM 1136 CZ PHE A 70 6.011 -2.427 -5.963 1.00 61.10 C ATOM 0 H PHE A 70 5.681 2.858 -5.003 1.00 13.21 H new ATOM 0 HA PHE A 70 7.805 2.232 -6.962 1.00 13.21 H new ATOM 0 HB2 PHE A 70 4.748 2.032 -7.118 1.00 31.40 H new ATOM 0 HB3 PHE A 70 5.830 1.651 -8.442 1.00 31.40 H new ATOM 0 HD1 PHE A 70 4.722 0.549 -5.060 1.00 42.05 H new ATOM 0 HD2 PHE A 70 6.976 -0.493 -8.543 1.00 64.52 H new ATOM 0 HE1 PHE A 70 4.883 -1.767 -4.275 1.00 74.21 H new ATOM 0 HE2 PHE A 70 7.119 -2.811 -7.745 1.00 11.10 H new ATOM 0 HZ PHE A 70 6.078 -3.447 -5.613 1.00 61.10 H new ATOM 1146 N HIS A 71 7.210 4.108 -8.652 1.00 72.41 N ATOM 1147 CA HIS A 71 6.967 5.243 -9.560 1.00 30.04 C ATOM 1148 C HIS A 71 7.023 4.741 -11.022 1.00 74.22 C ATOM 1149 O HIS A 71 7.946 4.023 -11.390 1.00 14.24 O ATOM 1150 CB HIS A 71 7.998 6.378 -9.328 1.00 75.13 C ATOM 1151 CG HIS A 71 7.719 7.601 -10.158 1.00 34.40 C ATOM 1152 ND1 HIS A 71 8.199 7.760 -11.434 1.00 73.31 N ATOM 1153 CD2 HIS A 71 6.953 8.690 -9.912 1.00 13.21 C ATOM 1154 CE1 HIS A 71 7.739 8.878 -11.942 1.00 43.01 C ATOM 1155 NE2 HIS A 71 6.979 9.463 -11.043 1.00 40.24 N ATOM 0 H HIS A 71 7.850 3.412 -9.034 1.00 72.41 H new ATOM 0 HA HIS A 71 5.980 5.657 -9.355 1.00 30.04 H new ATOM 0 HB2 HIS A 71 7.997 6.653 -8.273 1.00 75.13 H new ATOM 0 HB3 HIS A 71 8.997 6.008 -9.560 1.00 75.13 H new ATOM 0 HD2 HIS A 71 6.422 8.908 -8.997 1.00 13.21 H new ATOM 0 HE1 HIS A 71 7.949 9.255 -12.932 1.00 43.01 H new ATOM 0 HE2 HIS A 71 6.488 10.349 -11.167 1.00 40.24 H new ATOM 1164 N TRP A 72 6.045 5.153 -11.847 1.00 23.24 N ATOM 1165 CA TRP A 72 5.889 4.646 -13.235 1.00 31.21 C ATOM 1166 C TRP A 72 7.023 5.180 -14.139 1.00 24.14 C ATOM 1167 O TRP A 72 7.325 6.368 -14.102 1.00 74.10 O ATOM 1168 CB TRP A 72 4.497 5.040 -13.800 1.00 33.10 C ATOM 1169 CG TRP A 72 3.353 4.707 -12.866 1.00 41.41 C ATOM 1170 CD1 TRP A 72 2.655 3.531 -12.784 1.00 43.44 C ATOM 1171 CD2 TRP A 72 2.802 5.570 -11.856 1.00 63.35 C ATOM 1172 NE1 TRP A 72 1.696 3.624 -11.807 1.00 15.31 N ATOM 1173 CE2 TRP A 72 1.768 4.863 -11.222 1.00 33.43 C ATOM 1174 CE3 TRP A 72 3.078 6.882 -11.439 1.00 20.22 C ATOM 1175 CZ2 TRP A 72 1.015 5.411 -10.186 1.00 1.23 C ATOM 1176 CZ3 TRP A 72 2.334 7.426 -10.410 1.00 51.13 C ATOM 1177 CH2 TRP A 72 1.307 6.694 -9.795 1.00 54.13 C ATOM 0 H TRP A 72 5.342 5.842 -11.580 1.00 23.24 H new ATOM 0 HA TRP A 72 5.956 3.558 -13.218 1.00 31.21 H new ATOM 0 HB2 TRP A 72 4.487 6.110 -14.008 1.00 33.10 H new ATOM 0 HB3 TRP A 72 4.341 4.529 -14.750 1.00 33.10 H new ATOM 0 HD1 TRP A 72 2.833 2.660 -13.397 1.00 43.44 H new ATOM 0 HE1 TRP A 72 1.035 2.889 -11.556 1.00 15.31 H new ATOM 0 HE3 TRP A 72 3.859 7.456 -11.915 1.00 20.22 H new ATOM 0 HZ2 TRP A 72 0.229 4.846 -9.707 1.00 1.23 H new ATOM 0 HZ3 TRP A 72 2.546 8.430 -10.074 1.00 51.13 H new ATOM 0 HH2 TRP A 72 0.736 7.148 -8.999 1.00 54.13 H new ATOM 1188 N LEU A 73 7.650 4.287 -14.926 1.00 52.44 N ATOM 1189 CA LEU A 73 8.839 4.619 -15.754 1.00 23.01 C ATOM 1190 C LEU A 73 8.498 5.554 -16.938 1.00 41.41 C ATOM 1191 O LEU A 73 9.289 6.438 -17.287 1.00 43.31 O ATOM 1192 CB LEU A 73 9.508 3.313 -16.252 1.00 63.51 C ATOM 1193 CG LEU A 73 10.158 2.425 -15.143 1.00 63.54 C ATOM 1194 CD1 LEU A 73 10.740 1.130 -15.735 1.00 44.41 C ATOM 1195 CD2 LEU A 73 11.235 3.210 -14.353 1.00 31.02 C ATOM 0 H LEU A 73 7.353 3.315 -15.011 1.00 52.44 H new ATOM 0 HA LEU A 73 9.539 5.168 -15.124 1.00 23.01 H new ATOM 0 HB2 LEU A 73 8.759 2.719 -16.776 1.00 63.51 H new ATOM 0 HB3 LEU A 73 10.276 3.574 -16.981 1.00 63.51 H new ATOM 0 HG LEU A 73 9.371 2.146 -14.443 1.00 63.54 H new ATOM 0 HD11 LEU A 73 11.185 0.534 -14.938 1.00 44.41 H new ATOM 0 HD12 LEU A 73 9.944 0.559 -16.214 1.00 44.41 H new ATOM 0 HD13 LEU A 73 11.503 1.378 -16.472 1.00 44.41 H new ATOM 0 HD21 LEU A 73 11.668 2.565 -13.589 1.00 31.02 H new ATOM 0 HD22 LEU A 73 12.018 3.541 -15.035 1.00 31.02 H new ATOM 0 HD23 LEU A 73 10.777 4.078 -13.878 1.00 31.02 H new ATOM 1311 N TYR A 81 5.013 10.028 -4.794 1.00 55.41 N ATOM 1312 CA TYR A 81 5.086 8.559 -4.985 1.00 34.21 C ATOM 1313 C TYR A 81 3.799 7.861 -4.467 1.00 21.32 C ATOM 1314 O TYR A 81 2.861 8.522 -4.007 1.00 11.11 O ATOM 1315 CB TYR A 81 6.356 8.008 -4.255 1.00 52.01 C ATOM 1316 CG TYR A 81 6.469 8.423 -2.770 1.00 51.25 C ATOM 1317 CD1 TYR A 81 5.755 7.759 -1.771 1.00 22.21 C ATOM 1318 CD2 TYR A 81 7.276 9.497 -2.373 1.00 72.44 C ATOM 1319 CE1 TYR A 81 5.838 8.147 -0.451 1.00 62.41 C ATOM 1320 CE2 TYR A 81 7.363 9.881 -1.047 1.00 41.10 C ATOM 1321 CZ TYR A 81 6.640 9.201 -0.091 1.00 61.43 C ATOM 1322 OH TYR A 81 6.715 9.573 1.234 1.00 23.11 O ATOM 0 HA TYR A 81 5.162 8.342 -6.051 1.00 34.21 H new ATOM 0 HB2 TYR A 81 6.352 6.920 -4.316 1.00 52.01 H new ATOM 0 HB3 TYR A 81 7.244 8.354 -4.785 1.00 52.01 H new ATOM 0 HD1 TYR A 81 5.124 6.924 -2.038 1.00 22.21 H new ATOM 0 HD2 TYR A 81 7.842 10.037 -3.118 1.00 72.44 H new ATOM 0 HE1 TYR A 81 5.270 7.620 0.302 1.00 62.41 H new ATOM 0 HE2 TYR A 81 7.994 10.710 -0.762 1.00 41.10 H new ATOM 0 HH TYR A 81 7.325 10.334 1.326 1.00 23.11 H new ATOM 1332 N PHE A 82 3.780 6.516 -4.542 1.00 33.43 N ATOM 1333 CA PHE A 82 2.752 5.674 -3.883 1.00 2.11 C ATOM 1334 C PHE A 82 3.480 4.633 -2.993 1.00 11.53 C ATOM 1335 O PHE A 82 4.175 3.750 -3.514 1.00 64.02 O ATOM 1336 CB PHE A 82 1.842 4.979 -4.947 1.00 24.12 C ATOM 1337 CG PHE A 82 0.511 4.441 -4.393 1.00 13.23 C ATOM 1338 CD1 PHE A 82 0.450 3.246 -3.673 1.00 53.51 C ATOM 1339 CD2 PHE A 82 -0.682 5.142 -4.595 1.00 51.25 C ATOM 1340 CE1 PHE A 82 -0.752 2.774 -3.175 1.00 31.42 C ATOM 1341 CE2 PHE A 82 -1.881 4.666 -4.096 1.00 21.53 C ATOM 1342 CZ PHE A 82 -1.916 3.484 -3.387 1.00 3.53 C ATOM 0 H PHE A 82 4.475 5.979 -5.060 1.00 33.43 H new ATOM 0 HA PHE A 82 2.100 6.290 -3.264 1.00 2.11 H new ATOM 0 HB2 PHE A 82 1.628 5.691 -5.744 1.00 24.12 H new ATOM 0 HB3 PHE A 82 2.395 4.154 -5.396 1.00 24.12 H new ATOM 0 HD1 PHE A 82 1.355 2.681 -3.502 1.00 53.51 H new ATOM 0 HD2 PHE A 82 -0.667 6.069 -5.149 1.00 51.25 H new ATOM 0 HE1 PHE A 82 -0.779 1.848 -2.619 1.00 31.42 H new ATOM 0 HE2 PHE A 82 -2.792 5.222 -4.262 1.00 21.53 H new ATOM 0 HZ PHE A 82 -2.853 3.114 -2.998 1.00 3.53 H new ATOM 1352 N GLU A 83 3.332 4.755 -1.658 1.00 63.33 N ATOM 1353 CA GLU A 83 4.049 3.901 -0.674 1.00 25.50 C ATOM 1354 C GLU A 83 3.086 3.105 0.221 1.00 54.14 C ATOM 1355 O GLU A 83 1.998 3.569 0.558 1.00 72.42 O ATOM 1356 CB GLU A 83 4.962 4.785 0.214 1.00 54.31 C ATOM 1357 CG GLU A 83 5.879 4.027 1.204 1.00 52.24 C ATOM 1358 CD GLU A 83 6.737 4.953 2.089 1.00 61.31 C ATOM 1359 OE1 GLU A 83 7.126 6.050 1.633 1.00 43.42 O ATOM 1360 OE2 GLU A 83 7.093 4.561 3.214 1.00 70.44 O ATOM 0 H GLU A 83 2.716 5.444 -1.227 1.00 63.33 H new ATOM 0 HA GLU A 83 4.644 3.184 -1.239 1.00 25.50 H new ATOM 0 HB2 GLU A 83 5.588 5.396 -0.437 1.00 54.31 H new ATOM 0 HB3 GLU A 83 4.332 5.468 0.783 1.00 54.31 H new ATOM 0 HG2 GLU A 83 5.263 3.395 1.844 1.00 52.24 H new ATOM 0 HG3 GLU A 83 6.537 3.365 0.641 1.00 52.24 H new ATOM 1367 N ILE A 84 3.515 1.884 0.583 1.00 44.11 N ATOM 1368 CA ILE A 84 2.851 1.026 1.583 1.00 43.40 C ATOM 1369 C ILE A 84 3.937 0.449 2.528 1.00 72.04 C ATOM 1370 O ILE A 84 5.027 0.084 2.080 1.00 11.03 O ATOM 1371 CB ILE A 84 2.025 -0.179 0.957 1.00 15.33 C ATOM 1372 CG1 ILE A 84 1.013 0.292 -0.156 1.00 53.40 C ATOM 1373 CG2 ILE A 84 1.283 -0.958 2.078 1.00 5.24 C ATOM 1374 CD1 ILE A 84 1.615 0.463 -1.543 1.00 63.24 C ATOM 0 H ILE A 84 4.349 1.456 0.182 1.00 44.11 H new ATOM 0 HA ILE A 84 2.131 1.652 2.111 1.00 43.40 H new ATOM 0 HB ILE A 84 2.740 -0.841 0.469 1.00 15.33 H new ATOM 0 HG12 ILE A 84 0.200 -0.432 -0.216 1.00 53.40 H new ATOM 0 HG13 ILE A 84 0.573 1.241 0.152 1.00 53.40 H new ATOM 0 HG21 ILE A 84 0.720 -1.781 1.638 1.00 5.24 H new ATOM 0 HG22 ILE A 84 2.009 -1.354 2.788 1.00 5.24 H new ATOM 0 HG23 ILE A 84 0.598 -0.286 2.596 1.00 5.24 H new ATOM 0 HD11 ILE A 84 0.841 0.789 -2.238 1.00 63.24 H new ATOM 0 HD12 ILE A 84 2.407 1.210 -1.506 1.00 63.24 H new ATOM 0 HD13 ILE A 84 2.028 -0.488 -1.880 1.00 63.24 H new ATOM 1386 N LYS A 85 3.660 0.414 3.833 1.00 4.44 N ATOM 1387 CA LYS A 85 4.511 -0.281 4.818 1.00 63.14 C ATOM 1388 C LYS A 85 3.636 -1.040 5.838 1.00 14.10 C ATOM 1389 O LYS A 85 2.422 -0.825 5.928 1.00 33.15 O ATOM 1390 CB LYS A 85 5.440 0.723 5.559 1.00 20.14 C ATOM 1391 CG LYS A 85 4.722 1.727 6.490 1.00 24.21 C ATOM 1392 CD LYS A 85 5.692 2.590 7.336 1.00 21.13 C ATOM 1393 CE LYS A 85 6.561 3.530 6.484 1.00 74.03 C ATOM 1394 NZ LYS A 85 5.736 4.474 5.688 1.00 74.13 N ATOM 0 H LYS A 85 2.842 0.864 4.243 1.00 4.44 H new ATOM 0 HA LYS A 85 5.136 -0.995 4.281 1.00 63.14 H new ATOM 0 HB2 LYS A 85 6.161 0.157 6.149 1.00 20.14 H new ATOM 0 HB3 LYS A 85 6.007 1.284 4.816 1.00 20.14 H new ATOM 0 HG2 LYS A 85 4.095 2.384 5.887 1.00 24.21 H new ATOM 0 HG3 LYS A 85 4.058 1.179 7.159 1.00 24.21 H new ATOM 0 HD2 LYS A 85 5.116 3.182 8.047 1.00 21.13 H new ATOM 0 HD3 LYS A 85 6.339 1.934 7.918 1.00 21.13 H new ATOM 0 HE2 LYS A 85 7.232 4.092 7.133 1.00 74.03 H new ATOM 0 HE3 LYS A 85 7.186 2.940 5.814 1.00 74.03 H new ATOM 0 HZ1 LYS A 85 5.851 4.267 4.675 1.00 74.13 H new ATOM 0 HZ2 LYS A 85 4.736 4.368 5.952 1.00 74.13 H new ATOM 0 HZ3 LYS A 85 6.043 5.449 5.879 1.00 74.13 H new ATOM 1408 N MET A 86 4.279 -1.916 6.613 1.00 53.44 N ATOM 1409 CA MET A 86 3.690 -2.552 7.794 1.00 60.31 C ATOM 1410 C MET A 86 4.774 -2.649 8.872 1.00 54.11 C ATOM 1411 O MET A 86 5.943 -2.924 8.581 1.00 53.32 O ATOM 1412 CB MET A 86 3.077 -3.951 7.489 1.00 63.15 C ATOM 1413 CG MET A 86 3.943 -4.898 6.629 1.00 53.22 C ATOM 1414 SD MET A 86 3.385 -5.002 4.915 1.00 13.21 S ATOM 1415 CE MET A 86 1.748 -5.699 5.137 1.00 74.32 C ATOM 0 H MET A 86 5.240 -2.208 6.435 1.00 53.44 H new ATOM 0 HA MET A 86 2.858 -1.939 8.141 1.00 60.31 H new ATOM 0 HB2 MET A 86 2.864 -4.446 8.436 1.00 63.15 H new ATOM 0 HB3 MET A 86 2.122 -3.805 6.984 1.00 63.15 H new ATOM 0 HG2 MET A 86 4.977 -4.554 6.648 1.00 53.22 H new ATOM 0 HG3 MET A 86 3.930 -5.894 7.071 1.00 53.22 H new ATOM 0 HE1 MET A 86 1.701 -6.677 4.657 1.00 74.32 H new ATOM 0 HE2 MET A 86 1.540 -5.807 6.201 1.00 74.32 H new ATOM 0 HE3 MET A 86 1.007 -5.038 4.687 1.00 74.32 H new ATOM 1425 N SER A 87 4.383 -2.385 10.111 1.00 75.32 N ATOM 1426 CA SER A 87 5.292 -2.438 11.272 1.00 70.44 C ATOM 1427 C SER A 87 4.722 -3.409 12.305 1.00 52.40 C ATOM 1428 O SER A 87 3.518 -3.404 12.551 1.00 22.43 O ATOM 1429 CB SER A 87 5.460 -1.030 11.892 1.00 4.43 C ATOM 1430 OG SER A 87 6.369 -1.043 12.985 1.00 13.31 O ATOM 0 H SER A 87 3.426 -2.126 10.351 1.00 75.32 H new ATOM 0 HA SER A 87 6.274 -2.784 10.949 1.00 70.44 H new ATOM 0 HB2 SER A 87 5.817 -0.337 11.130 1.00 4.43 H new ATOM 0 HB3 SER A 87 4.491 -0.662 12.229 1.00 4.43 H new ATOM 0 HG SER A 87 6.453 -0.138 13.352 1.00 13.31 H new ATOM 1436 N TYR A 88 5.578 -4.226 12.927 1.00 12.21 N ATOM 1437 CA TYR A 88 5.135 -5.230 13.911 1.00 44.00 C ATOM 1438 C TYR A 88 5.403 -4.706 15.337 1.00 33.31 C ATOM 1439 O TYR A 88 6.464 -4.153 15.614 1.00 2.11 O ATOM 1440 CB TYR A 88 5.839 -6.589 13.669 1.00 41.12 C ATOM 1441 CG TYR A 88 5.365 -7.710 14.615 1.00 12.22 C ATOM 1442 CD1 TYR A 88 4.127 -8.329 14.427 1.00 52.20 C ATOM 1443 CD2 TYR A 88 6.146 -8.139 15.695 1.00 42.13 C ATOM 1444 CE1 TYR A 88 3.688 -9.324 15.275 1.00 74.52 C ATOM 1445 CE2 TYR A 88 5.710 -9.133 16.543 1.00 12.14 C ATOM 1446 CZ TYR A 88 4.484 -9.724 16.330 1.00 11.32 C ATOM 1447 OH TYR A 88 4.049 -10.719 17.176 1.00 44.14 O ATOM 0 H TYR A 88 6.586 -4.215 12.769 1.00 12.21 H new ATOM 0 HA TYR A 88 4.064 -5.396 13.795 1.00 44.00 H new ATOM 0 HB2 TYR A 88 5.667 -6.899 12.638 1.00 41.12 H new ATOM 0 HB3 TYR A 88 6.915 -6.457 13.787 1.00 41.12 H new ATOM 0 HD1 TYR A 88 3.502 -8.022 13.602 1.00 52.20 H new ATOM 0 HD2 TYR A 88 7.109 -7.682 15.867 1.00 42.13 H new ATOM 0 HE1 TYR A 88 2.726 -9.788 15.115 1.00 74.52 H new ATOM 0 HE2 TYR A 88 6.327 -9.448 17.372 1.00 12.14 H new ATOM 0 HH TYR A 88 4.727 -10.882 17.865 1.00 44.14 H new ATOM 1457 N ASN A 89 4.416 -4.881 16.220 1.00 23.14 N ATOM 1458 CA ASN A 89 4.499 -4.472 17.628 1.00 13.22 C ATOM 1459 C ASN A 89 4.911 -5.684 18.497 1.00 45.03 C ATOM 1460 O ASN A 89 4.119 -6.611 18.685 1.00 71.55 O ATOM 1461 CB ASN A 89 3.131 -3.904 18.081 1.00 31.43 C ATOM 1462 CG ASN A 89 2.691 -2.688 17.259 1.00 73.44 C ATOM 1463 OD1 ASN A 89 3.048 -1.560 17.564 1.00 21.10 O ATOM 1464 ND2 ASN A 89 1.898 -2.903 16.229 1.00 45.11 N ATOM 0 H ASN A 89 3.526 -5.315 15.976 1.00 23.14 H new ATOM 0 HA ASN A 89 5.253 -3.694 17.745 1.00 13.22 H new ATOM 0 HB2 ASN A 89 2.374 -4.684 18.000 1.00 31.43 H new ATOM 0 HB3 ASN A 89 3.189 -3.624 19.133 1.00 31.43 H new ATOM 0 HD21 ASN A 89 1.569 -2.118 15.667 1.00 45.11 H new ATOM 0 HD22 ASN A 89 1.614 -3.854 15.994 1.00 45.11 H new ATOM 1471 N GLU A 90 6.154 -5.674 19.012 1.00 40.33 N ATOM 1472 CA GLU A 90 6.729 -6.798 19.800 1.00 75.13 C ATOM 1473 C GLU A 90 6.024 -6.990 21.170 1.00 34.41 C ATOM 1474 O GLU A 90 5.893 -8.117 21.655 1.00 71.20 O ATOM 1475 CB GLU A 90 8.260 -6.575 20.023 1.00 14.43 C ATOM 1476 CG GLU A 90 9.161 -6.731 18.768 1.00 23.11 C ATOM 1477 CD GLU A 90 8.887 -5.722 17.634 1.00 70.25 C ATOM 1478 OE1 GLU A 90 8.787 -4.508 17.927 1.00 21.04 O ATOM 1479 OE2 GLU A 90 8.768 -6.137 16.456 1.00 63.00 O ATOM 0 H GLU A 90 6.795 -4.889 18.898 1.00 40.33 H new ATOM 0 HA GLU A 90 6.566 -7.706 19.219 1.00 75.13 H new ATOM 0 HB2 GLU A 90 8.406 -5.574 20.428 1.00 14.43 H new ATOM 0 HB3 GLU A 90 8.603 -7.279 20.782 1.00 14.43 H new ATOM 0 HG2 GLU A 90 10.203 -6.635 19.074 1.00 23.11 H new ATOM 0 HG3 GLU A 90 9.036 -7.739 18.374 1.00 23.11 H new ATOM 1486 N LEU A 91 5.557 -5.879 21.769 1.00 22.12 N ATOM 1487 CA LEU A 91 5.041 -5.859 23.159 1.00 55.02 C ATOM 1488 C LEU A 91 3.564 -6.322 23.257 1.00 65.13 C ATOM 1489 O LEU A 91 3.092 -6.678 24.341 1.00 4.25 O ATOM 1490 CB LEU A 91 5.202 -4.429 23.742 1.00 62.11 C ATOM 1491 CG LEU A 91 6.651 -3.833 23.692 1.00 21.12 C ATOM 1492 CD1 LEU A 91 6.682 -2.382 24.219 1.00 35.12 C ATOM 1493 CD2 LEU A 91 7.656 -4.729 24.453 1.00 62.20 C ATOM 0 H LEU A 91 5.525 -4.970 21.308 1.00 22.12 H new ATOM 0 HA LEU A 91 5.626 -6.571 23.742 1.00 55.02 H new ATOM 0 HB2 LEU A 91 4.534 -3.759 23.201 1.00 62.11 H new ATOM 0 HB3 LEU A 91 4.869 -4.440 24.780 1.00 62.11 H new ATOM 0 HG LEU A 91 6.958 -3.809 22.647 1.00 21.12 H new ATOM 0 HD11 LEU A 91 7.701 -1.999 24.171 1.00 35.12 H new ATOM 0 HD12 LEU A 91 6.031 -1.758 23.607 1.00 35.12 H new ATOM 0 HD13 LEU A 91 6.336 -2.363 25.252 1.00 35.12 H new ATOM 0 HD21 LEU A 91 8.651 -4.287 24.399 1.00 62.20 H new ATOM 0 HD22 LEU A 91 7.352 -4.812 25.496 1.00 62.20 H new ATOM 0 HD23 LEU A 91 7.674 -5.721 24.001 1.00 62.20 H new ATOM 1505 N THR A 92 2.840 -6.305 22.122 1.00 61.23 N ATOM 1506 CA THR A 92 1.405 -6.714 22.062 1.00 11.32 C ATOM 1507 C THR A 92 1.168 -7.821 20.997 1.00 61.42 C ATOM 1508 O THR A 92 0.504 -8.826 21.283 1.00 53.23 O ATOM 1509 CB THR A 92 0.445 -5.486 21.831 1.00 4.22 C ATOM 1510 OG1 THR A 92 -0.865 -5.927 21.419 1.00 64.33 O ATOM 1511 CG2 THR A 92 1.004 -4.483 20.811 1.00 53.41 C ATOM 0 H THR A 92 3.220 -6.011 21.222 1.00 61.23 H new ATOM 0 HA THR A 92 1.160 -7.134 23.037 1.00 11.32 H new ATOM 0 HB THR A 92 0.368 -4.971 22.789 1.00 4.22 H new ATOM 0 HG1 THR A 92 -1.011 -5.687 20.480 1.00 64.33 H new ATOM 0 HG21 THR A 92 0.302 -3.657 20.690 1.00 53.41 H new ATOM 0 HG22 THR A 92 1.960 -4.098 21.166 1.00 53.41 H new ATOM 0 HG23 THR A 92 1.147 -4.981 19.852 1.00 53.41 H new ATOM 1519 N GLY A 93 1.715 -7.639 19.777 1.00 72.02 N ATOM 1520 CA GLY A 93 1.715 -8.704 18.746 1.00 64.25 C ATOM 1521 C GLY A 93 0.749 -8.475 17.575 1.00 75.24 C ATOM 1522 O GLY A 93 0.021 -9.390 17.175 1.00 41.32 O ATOM 0 H GLY A 93 2.161 -6.771 19.481 1.00 72.02 H new ATOM 0 HA2 GLY A 93 2.725 -8.804 18.349 1.00 64.25 H new ATOM 0 HA3 GLY A 93 1.465 -9.651 19.224 1.00 64.25 H new ATOM 1526 N ASP A 94 0.754 -7.259 17.007 1.00 25.43 N ATOM 1527 CA ASP A 94 -0.093 -6.908 15.834 1.00 31.34 C ATOM 1528 C ASP A 94 0.691 -6.046 14.815 1.00 54.21 C ATOM 1529 O ASP A 94 1.852 -5.703 15.042 1.00 52.22 O ATOM 1530 CB ASP A 94 -1.378 -6.181 16.310 1.00 72.44 C ATOM 1531 CG ASP A 94 -1.082 -4.882 17.069 1.00 43.12 C ATOM 1532 OD1 ASP A 94 -0.924 -3.824 16.426 1.00 72.22 O ATOM 1533 OD2 ASP A 94 -0.995 -4.918 18.309 1.00 72.34 O ATOM 0 H ASP A 94 1.337 -6.490 17.337 1.00 25.43 H new ATOM 0 HA ASP A 94 -0.381 -7.828 15.326 1.00 31.34 H new ATOM 0 HB2 ASP A 94 -2.004 -5.957 15.446 1.00 72.44 H new ATOM 0 HB3 ASP A 94 -1.950 -6.849 16.953 1.00 72.44 H new ATOM 1538 N TYR A 95 0.036 -5.688 13.694 1.00 10.00 N ATOM 1539 CA TYR A 95 0.643 -4.851 12.631 1.00 33.04 C ATOM 1540 C TYR A 95 -0.016 -3.453 12.544 1.00 41.13 C ATOM 1541 O TYR A 95 -1.241 -3.332 12.471 1.00 44.04 O ATOM 1542 CB TYR A 95 0.531 -5.573 11.254 1.00 1.34 C ATOM 1543 CG TYR A 95 1.571 -6.680 11.033 1.00 42.23 C ATOM 1544 CD1 TYR A 95 1.396 -7.963 11.556 1.00 32.41 C ATOM 1545 CD2 TYR A 95 2.731 -6.431 10.293 1.00 53.54 C ATOM 1546 CE1 TYR A 95 2.339 -8.951 11.349 1.00 41.42 C ATOM 1547 CE2 TYR A 95 3.674 -7.414 10.083 1.00 73.31 C ATOM 1548 CZ TYR A 95 3.476 -8.673 10.612 1.00 30.24 C ATOM 1549 OH TYR A 95 4.412 -9.664 10.396 1.00 0.33 O ATOM 0 H TYR A 95 -0.925 -5.967 13.496 1.00 10.00 H new ATOM 0 HA TYR A 95 1.692 -4.707 12.889 1.00 33.04 H new ATOM 0 HB2 TYR A 95 -0.466 -6.004 11.164 1.00 1.34 H new ATOM 0 HB3 TYR A 95 0.631 -4.833 10.460 1.00 1.34 H new ATOM 0 HD1 TYR A 95 0.510 -8.186 12.131 1.00 32.41 H new ATOM 0 HD2 TYR A 95 2.891 -5.447 9.877 1.00 53.54 H new ATOM 0 HE1 TYR A 95 2.189 -9.938 11.761 1.00 41.42 H new ATOM 0 HE2 TYR A 95 4.563 -7.200 9.508 1.00 73.31 H new ATOM 0 HH TYR A 95 5.150 -9.306 9.859 1.00 0.33 H new ATOM 1559 N VAL A 96 0.831 -2.406 12.557 1.00 24.12 N ATOM 1560 CA VAL A 96 0.471 -1.052 12.105 1.00 75.42 C ATOM 1561 C VAL A 96 0.642 -1.000 10.571 1.00 5.44 C ATOM 1562 O VAL A 96 1.766 -0.893 10.064 1.00 23.44 O ATOM 1563 CB VAL A 96 1.360 0.066 12.790 1.00 71.12 C ATOM 1564 CG1 VAL A 96 0.996 1.487 12.264 1.00 11.20 C ATOM 1565 CG2 VAL A 96 1.248 -0.002 14.335 1.00 64.30 C ATOM 0 H VAL A 96 1.794 -2.479 12.885 1.00 24.12 H new ATOM 0 HA VAL A 96 -0.561 -0.849 12.391 1.00 75.42 H new ATOM 0 HB VAL A 96 2.398 -0.128 12.519 1.00 71.12 H new ATOM 0 HG11 VAL A 96 1.625 2.229 12.755 1.00 11.20 H new ATOM 0 HG12 VAL A 96 1.159 1.529 11.187 1.00 11.20 H new ATOM 0 HG13 VAL A 96 -0.051 1.698 12.481 1.00 11.20 H new ATOM 0 HG21 VAL A 96 1.868 0.776 14.779 1.00 64.30 H new ATOM 0 HG22 VAL A 96 0.210 0.148 14.631 1.00 64.30 H new ATOM 0 HG23 VAL A 96 1.587 -0.978 14.682 1.00 64.30 H new ATOM 1575 N LEU A 97 -0.471 -1.129 9.840 1.00 62.33 N ATOM 1576 CA LEU A 97 -0.463 -1.149 8.368 1.00 72.44 C ATOM 1577 C LEU A 97 -0.714 0.268 7.842 1.00 22.03 C ATOM 1578 O LEU A 97 -1.829 0.774 7.905 1.00 3.22 O ATOM 1579 CB LEU A 97 -1.544 -2.123 7.848 1.00 63.42 C ATOM 1580 CG LEU A 97 -1.641 -2.273 6.300 1.00 61.00 C ATOM 1581 CD1 LEU A 97 -0.294 -2.731 5.702 1.00 72.02 C ATOM 1582 CD2 LEU A 97 -2.794 -3.224 5.909 1.00 44.15 C ATOM 0 H LEU A 97 -1.401 -1.222 10.248 1.00 62.33 H new ATOM 0 HA LEU A 97 0.507 -1.493 8.010 1.00 72.44 H new ATOM 0 HB2 LEU A 97 -1.355 -3.107 8.277 1.00 63.42 H new ATOM 0 HB3 LEU A 97 -2.513 -1.793 8.222 1.00 63.42 H new ATOM 0 HG LEU A 97 -1.867 -1.294 5.877 1.00 61.00 H new ATOM 0 HD11 LEU A 97 -0.390 -2.828 4.621 1.00 72.02 H new ATOM 0 HD12 LEU A 97 0.476 -1.995 5.934 1.00 72.02 H new ATOM 0 HD13 LEU A 97 -0.015 -3.694 6.129 1.00 72.02 H new ATOM 0 HD21 LEU A 97 -2.841 -3.312 4.824 1.00 44.15 H new ATOM 0 HD22 LEU A 97 -2.619 -4.207 6.346 1.00 44.15 H new ATOM 0 HD23 LEU A 97 -3.737 -2.825 6.282 1.00 44.15 H new ATOM 1594 N GLU A 98 0.338 0.873 7.293 1.00 14.03 N ATOM 1595 CA GLU A 98 0.364 2.307 6.972 1.00 34.31 C ATOM 1596 C GLU A 98 0.558 2.527 5.456 1.00 63.25 C ATOM 1597 O GLU A 98 1.613 2.224 4.917 1.00 74.32 O ATOM 1598 CB GLU A 98 1.504 2.978 7.779 1.00 63.25 C ATOM 1599 CG GLU A 98 1.547 4.507 7.668 1.00 33.12 C ATOM 1600 CD GLU A 98 2.783 5.137 8.330 1.00 21.32 C ATOM 1601 OE1 GLU A 98 2.830 5.204 9.574 1.00 64.33 O ATOM 1602 OE2 GLU A 98 3.716 5.561 7.608 1.00 52.42 O ATOM 0 H GLU A 98 1.201 0.384 7.056 1.00 14.03 H new ATOM 0 HA GLU A 98 -0.589 2.759 7.246 1.00 34.31 H new ATOM 0 HB2 GLU A 98 1.398 2.705 8.829 1.00 63.25 H new ATOM 0 HB3 GLU A 98 2.458 2.575 7.440 1.00 63.25 H new ATOM 0 HG2 GLU A 98 1.527 4.787 6.615 1.00 33.12 H new ATOM 0 HG3 GLU A 98 0.649 4.922 8.126 1.00 33.12 H new ATOM 1609 N ILE A 99 -0.482 3.022 4.773 1.00 14.43 N ATOM 1610 CA ILE A 99 -0.422 3.372 3.333 1.00 54.53 C ATOM 1611 C ILE A 99 -0.135 4.894 3.195 1.00 73.10 C ATOM 1612 O ILE A 99 -0.928 5.719 3.642 1.00 52.24 O ATOM 1613 CB ILE A 99 -1.777 2.971 2.592 1.00 54.43 C ATOM 1614 CG1 ILE A 99 -1.911 1.413 2.394 1.00 25.45 C ATOM 1615 CG2 ILE A 99 -1.923 3.688 1.216 1.00 24.35 C ATOM 1616 CD1 ILE A 99 -1.995 0.574 3.657 1.00 43.22 C ATOM 0 H ILE A 99 -1.394 3.194 5.197 1.00 14.43 H new ATOM 0 HA ILE A 99 0.382 2.811 2.857 1.00 54.53 H new ATOM 0 HB ILE A 99 -2.583 3.304 3.246 1.00 54.43 H new ATOM 0 HG12 ILE A 99 -2.802 1.220 1.797 1.00 25.45 H new ATOM 0 HG13 ILE A 99 -1.056 1.068 1.812 1.00 25.45 H new ATOM 0 HG21 ILE A 99 -2.859 3.386 0.746 1.00 24.35 H new ATOM 0 HG22 ILE A 99 -1.924 4.768 1.367 1.00 24.35 H new ATOM 0 HG23 ILE A 99 -1.088 3.412 0.572 1.00 24.35 H new ATOM 0 HD11 ILE A 99 -2.084 -0.479 3.389 1.00 43.22 H new ATOM 0 HD12 ILE A 99 -1.094 0.722 4.253 1.00 43.22 H new ATOM 0 HD13 ILE A 99 -2.867 0.876 4.237 1.00 43.22 H new ATOM 1628 N THR A 100 1.019 5.257 2.603 1.00 23.32 N ATOM 1629 CA THR A 100 1.382 6.673 2.352 1.00 74.31 C ATOM 1630 C THR A 100 0.981 7.091 0.909 1.00 10.40 C ATOM 1631 O THR A 100 1.636 6.722 -0.073 1.00 74.44 O ATOM 1632 CB THR A 100 2.908 6.924 2.607 1.00 75.40 C ATOM 1633 OG1 THR A 100 3.228 6.576 3.969 1.00 45.42 O ATOM 1634 CG2 THR A 100 3.332 8.384 2.348 1.00 33.22 C ATOM 0 H THR A 100 1.722 4.589 2.287 1.00 23.32 H new ATOM 0 HA THR A 100 0.826 7.293 3.055 1.00 74.31 H new ATOM 0 HB THR A 100 3.455 6.298 1.902 1.00 75.40 H new ATOM 0 HG1 THR A 100 4.182 6.730 4.131 1.00 45.42 H new ATOM 0 HG21 THR A 100 4.399 8.493 2.542 1.00 33.22 H new ATOM 0 HG22 THR A 100 3.123 8.645 1.310 1.00 33.22 H new ATOM 0 HG23 THR A 100 2.774 9.048 3.008 1.00 33.22 H new ATOM 1642 N ASP A 101 -0.127 7.841 0.814 1.00 52.42 N ATOM 1643 CA ASP A 101 -0.679 8.384 -0.449 1.00 75.21 C ATOM 1644 C ASP A 101 -0.667 9.937 -0.387 1.00 71.52 C ATOM 1645 O ASP A 101 -0.466 10.512 0.675 1.00 52.01 O ATOM 1646 CB ASP A 101 -2.121 7.819 -0.633 1.00 4.23 C ATOM 1647 CG ASP A 101 -2.826 8.308 -1.912 1.00 71.11 C ATOM 1648 OD1 ASP A 101 -2.449 7.848 -3.014 1.00 24.24 O ATOM 1649 OD2 ASP A 101 -3.754 9.146 -1.826 1.00 22.22 O ATOM 0 H ASP A 101 -0.682 8.097 1.630 1.00 52.42 H new ATOM 0 HA ASP A 101 -0.076 8.085 -1.307 1.00 75.21 H new ATOM 0 HB2 ASP A 101 -2.074 6.730 -0.650 1.00 4.23 H new ATOM 0 HB3 ASP A 101 -2.723 8.099 0.231 1.00 4.23 H new ATOM 1654 N PHE A 102 -0.820 10.614 -1.537 1.00 71.33 N ATOM 1655 CA PHE A 102 -0.948 12.093 -1.593 1.00 31.31 C ATOM 1656 C PHE A 102 -2.326 12.470 -2.194 1.00 20.31 C ATOM 1657 O PHE A 102 -2.608 12.137 -3.350 1.00 53.33 O ATOM 1658 CB PHE A 102 0.207 12.699 -2.446 1.00 25.54 C ATOM 1659 CG PHE A 102 1.617 12.469 -1.888 1.00 71.42 C ATOM 1660 CD1 PHE A 102 2.231 11.218 -1.976 1.00 30.30 C ATOM 1661 CD2 PHE A 102 2.330 13.506 -1.277 1.00 12.43 C ATOM 1662 CE1 PHE A 102 3.500 11.008 -1.470 1.00 73.44 C ATOM 1663 CE2 PHE A 102 3.601 13.293 -0.774 1.00 33.51 C ATOM 1664 CZ PHE A 102 4.187 12.045 -0.870 1.00 44.55 C ATOM 0 H PHE A 102 -0.859 10.163 -2.451 1.00 71.33 H new ATOM 0 HA PHE A 102 -0.879 12.501 -0.585 1.00 31.31 H new ATOM 0 HB2 PHE A 102 0.157 12.277 -3.450 1.00 25.54 H new ATOM 0 HB3 PHE A 102 0.042 13.772 -2.543 1.00 25.54 H new ATOM 0 HD1 PHE A 102 1.705 10.401 -2.447 1.00 30.30 H new ATOM 0 HD2 PHE A 102 1.882 14.486 -1.197 1.00 12.43 H new ATOM 0 HE1 PHE A 102 3.955 10.031 -1.544 1.00 73.44 H new ATOM 0 HE2 PHE A 102 4.137 14.105 -0.305 1.00 33.51 H new ATOM 0 HZ PHE A 102 5.179 11.881 -0.477 1.00 44.55 H new ATOM 1674 N SER A 103 -3.167 13.197 -1.423 1.00 75.33 N ATOM 1675 CA SER A 103 -4.548 13.562 -1.846 1.00 42.13 C ATOM 1676 C SER A 103 -4.799 15.085 -1.776 1.00 52.11 C ATOM 1677 O SER A 103 -4.379 15.747 -0.822 1.00 35.25 O ATOM 1678 CB SER A 103 -5.592 12.825 -0.964 1.00 73.10 C ATOM 1679 OG SER A 103 -5.497 13.189 0.413 1.00 24.22 O ATOM 0 H SER A 103 -2.915 13.546 -0.498 1.00 75.33 H new ATOM 0 HA SER A 103 -4.655 13.254 -2.886 1.00 42.13 H new ATOM 0 HB2 SER A 103 -6.594 13.050 -1.328 1.00 73.10 H new ATOM 0 HB3 SER A 103 -5.451 11.749 -1.063 1.00 73.10 H new ATOM 0 HG SER A 103 -6.268 12.830 0.900 1.00 24.22 H new ATOM 1685 N GLU A 104 -5.493 15.623 -2.801 1.00 63.30 N ATOM 1686 CA GLU A 104 -6.025 17.010 -2.799 1.00 64.35 C ATOM 1687 C GLU A 104 -7.034 17.223 -1.648 1.00 2.14 C ATOM 1688 O GLU A 104 -7.767 16.303 -1.299 1.00 1.22 O ATOM 1689 CB GLU A 104 -6.739 17.296 -4.156 1.00 71.32 C ATOM 1690 CG GLU A 104 -5.813 17.441 -5.376 1.00 72.52 C ATOM 1691 CD GLU A 104 -5.120 18.811 -5.463 1.00 53.44 C ATOM 1692 OE1 GLU A 104 -4.201 19.072 -4.667 1.00 62.32 O ATOM 1693 OE2 GLU A 104 -5.482 19.628 -6.337 1.00 52.40 O ATOM 0 H GLU A 104 -5.703 15.110 -3.657 1.00 63.30 H new ATOM 0 HA GLU A 104 -5.187 17.692 -2.658 1.00 64.35 H new ATOM 0 HB2 GLU A 104 -7.445 16.489 -4.352 1.00 71.32 H new ATOM 0 HB3 GLU A 104 -7.322 18.211 -4.054 1.00 71.32 H new ATOM 0 HG2 GLU A 104 -5.053 16.660 -5.340 1.00 72.52 H new ATOM 0 HG3 GLU A 104 -6.394 17.279 -6.284 1.00 72.52 H new ATOM 1700 N ALA A 105 -7.091 18.450 -1.092 1.00 53.11 N ATOM 1701 CA ALA A 105 -8.112 18.826 -0.074 1.00 13.53 C ATOM 1702 C ALA A 105 -9.563 18.718 -0.633 1.00 33.40 C ATOM 1703 O ALA A 105 -10.527 18.615 0.126 1.00 41.14 O ATOM 1704 CB ALA A 105 -7.841 20.238 0.462 1.00 52.22 C ATOM 0 H ALA A 105 -6.444 19.203 -1.326 1.00 53.11 H new ATOM 0 HA ALA A 105 -8.030 18.115 0.748 1.00 13.53 H new ATOM 0 HB1 ALA A 105 -8.596 20.496 1.204 1.00 52.22 H new ATOM 0 HB2 ALA A 105 -6.854 20.269 0.923 1.00 52.22 H new ATOM 0 HB3 ALA A 105 -7.881 20.953 -0.360 1.00 52.22 H new ATOM 1710 N ASP A 106 -9.683 18.754 -1.974 1.00 42.13 N ATOM 1711 CA ASP A 106 -10.949 18.551 -2.715 1.00 24.44 C ATOM 1712 C ASP A 106 -11.515 17.104 -2.548 1.00 53.33 C ATOM 1713 O ASP A 106 -12.737 16.896 -2.555 1.00 32.45 O ATOM 1714 CB ASP A 106 -10.675 18.861 -4.210 1.00 15.21 C ATOM 1715 CG ASP A 106 -11.926 18.779 -5.100 1.00 44.44 C ATOM 1716 OD1 ASP A 106 -12.698 19.758 -5.147 1.00 75.24 O ATOM 1717 OD2 ASP A 106 -12.141 17.738 -5.755 1.00 14.41 O ATOM 0 H ASP A 106 -8.887 18.929 -2.588 1.00 42.13 H new ATOM 0 HA ASP A 106 -11.709 19.220 -2.310 1.00 24.44 H new ATOM 0 HB2 ASP A 106 -10.247 19.860 -4.292 1.00 15.21 H new ATOM 0 HB3 ASP A 106 -9.927 18.162 -4.585 1.00 15.21 H new ATOM 1722 N GLU A 107 -10.611 16.119 -2.402 1.00 71.22 N ATOM 1723 CA GLU A 107 -10.964 14.671 -2.387 1.00 71.20 C ATOM 1724 C GLU A 107 -10.468 13.950 -1.108 1.00 24.41 C ATOM 1725 O GLU A 107 -10.807 12.782 -0.893 1.00 21.51 O ATOM 1726 CB GLU A 107 -10.372 14.003 -3.656 1.00 0.41 C ATOM 1727 CG GLU A 107 -8.845 14.159 -3.804 1.00 14.44 C ATOM 1728 CD GLU A 107 -8.317 13.651 -5.155 1.00 0.14 C ATOM 1729 OE1 GLU A 107 -8.393 14.401 -6.156 1.00 42.42 O ATOM 1730 OE2 GLU A 107 -7.841 12.500 -5.226 1.00 21.11 O ATOM 0 H GLU A 107 -9.612 16.295 -2.290 1.00 71.22 H new ATOM 0 HA GLU A 107 -12.050 14.583 -2.384 1.00 71.20 H new ATOM 0 HB2 GLU A 107 -10.617 12.941 -3.641 1.00 0.41 H new ATOM 0 HB3 GLU A 107 -10.855 14.429 -4.535 1.00 0.41 H new ATOM 0 HG2 GLU A 107 -8.580 15.210 -3.689 1.00 14.44 H new ATOM 0 HG3 GLU A 107 -8.350 13.615 -2.999 1.00 14.44 H new ATOM 1737 N ALA A 108 -9.699 14.665 -0.253 1.00 52.35 N ATOM 1738 CA ALA A 108 -9.087 14.092 0.981 1.00 1.21 C ATOM 1739 C ALA A 108 -10.162 13.588 1.968 1.00 44.30 C ATOM 1740 O ALA A 108 -9.923 12.651 2.721 1.00 5.14 O ATOM 1741 CB ALA A 108 -8.174 15.124 1.668 1.00 74.21 C ATOM 0 H ALA A 108 -9.483 15.652 -0.394 1.00 52.35 H new ATOM 0 HA ALA A 108 -8.484 13.237 0.677 1.00 1.21 H new ATOM 0 HB1 ALA A 108 -7.739 14.684 2.565 1.00 74.21 H new ATOM 0 HB2 ALA A 108 -7.377 15.417 0.984 1.00 74.21 H new ATOM 0 HB3 ALA A 108 -8.759 16.002 1.941 1.00 74.21 H new ATOM 1747 N ASP A 109 -11.345 14.225 1.919 1.00 51.33 N ATOM 1748 CA ASP A 109 -12.536 13.848 2.713 1.00 10.24 C ATOM 1749 C ASP A 109 -12.904 12.344 2.556 1.00 22.11 C ATOM 1750 O ASP A 109 -13.138 11.651 3.551 1.00 73.23 O ATOM 1751 CB ASP A 109 -13.732 14.719 2.272 1.00 41.12 C ATOM 1752 CG ASP A 109 -13.504 16.220 2.527 1.00 72.24 C ATOM 1753 OD1 ASP A 109 -12.743 16.854 1.760 1.00 74.11 O ATOM 1754 OD2 ASP A 109 -14.086 16.774 3.487 1.00 53.32 O ATOM 0 H ASP A 109 -11.507 15.032 1.316 1.00 51.33 H new ATOM 0 HA ASP A 109 -12.301 14.016 3.764 1.00 10.24 H new ATOM 0 HB2 ASP A 109 -13.919 14.560 1.210 1.00 41.12 H new ATOM 0 HB3 ASP A 109 -14.626 14.396 2.805 1.00 41.12 H new ATOM 1759 N ASP A 110 -12.923 11.863 1.294 1.00 24.43 N ATOM 1760 CA ASP A 110 -13.232 10.451 0.962 1.00 3.52 C ATOM 1761 C ASP A 110 -12.134 9.496 1.493 1.00 65.11 C ATOM 1762 O ASP A 110 -12.438 8.422 2.004 1.00 32.52 O ATOM 1763 CB ASP A 110 -13.403 10.290 -0.573 1.00 15.24 C ATOM 1764 CG ASP A 110 -13.684 8.832 -1.001 1.00 31.43 C ATOM 1765 OD1 ASP A 110 -14.839 8.372 -0.862 1.00 40.33 O ATOM 1766 OD2 ASP A 110 -12.749 8.133 -1.454 1.00 73.32 O ATOM 0 H ASP A 110 -12.725 12.440 0.476 1.00 24.43 H new ATOM 0 HA ASP A 110 -14.168 10.182 1.451 1.00 3.52 H new ATOM 0 HB2 ASP A 110 -14.222 10.926 -0.910 1.00 15.24 H new ATOM 0 HB3 ASP A 110 -12.500 10.642 -1.072 1.00 15.24 H new ATOM 1771 N LEU A 111 -10.867 9.918 1.363 1.00 32.04 N ATOM 1772 CA LEU A 111 -9.689 9.129 1.815 1.00 33.00 C ATOM 1773 C LEU A 111 -9.663 8.948 3.359 1.00 73.54 C ATOM 1774 O LEU A 111 -9.371 7.856 3.864 1.00 43.41 O ATOM 1775 CB LEU A 111 -8.369 9.807 1.325 1.00 54.42 C ATOM 1776 CG LEU A 111 -7.947 9.563 -0.169 1.00 11.44 C ATOM 1777 CD1 LEU A 111 -7.719 8.063 -0.455 1.00 61.32 C ATOM 1778 CD2 LEU A 111 -8.951 10.184 -1.164 1.00 52.41 C ATOM 0 H LEU A 111 -10.620 10.814 0.943 1.00 32.04 H new ATOM 0 HA LEU A 111 -9.771 8.135 1.374 1.00 33.00 H new ATOM 0 HB2 LEU A 111 -8.465 10.882 1.478 1.00 54.42 H new ATOM 0 HB3 LEU A 111 -7.556 9.465 1.966 1.00 54.42 H new ATOM 0 HG LEU A 111 -6.996 10.074 -0.318 1.00 11.44 H new ATOM 0 HD11 LEU A 111 -7.429 7.931 -1.497 1.00 61.32 H new ATOM 0 HD12 LEU A 111 -6.928 7.685 0.193 1.00 61.32 H new ATOM 0 HD13 LEU A 111 -8.640 7.512 -0.263 1.00 61.32 H new ATOM 0 HD21 LEU A 111 -8.619 9.991 -2.184 1.00 52.41 H new ATOM 0 HD22 LEU A 111 -9.935 9.740 -1.012 1.00 52.41 H new ATOM 0 HD23 LEU A 111 -9.009 11.260 -0.999 1.00 52.41 H new ATOM 1790 N LYS A 112 -9.965 10.035 4.090 1.00 4.14 N ATOM 1791 CA LYS A 112 -10.020 10.028 5.575 1.00 61.24 C ATOM 1792 C LYS A 112 -11.221 9.204 6.098 1.00 41.20 C ATOM 1793 O LYS A 112 -11.123 8.550 7.134 1.00 70.24 O ATOM 1794 CB LYS A 112 -10.093 11.482 6.127 1.00 63.21 C ATOM 1795 CG LYS A 112 -8.933 12.407 5.688 1.00 73.43 C ATOM 1796 CD LYS A 112 -7.541 11.879 6.101 1.00 53.13 C ATOM 1797 CE LYS A 112 -6.396 12.752 5.564 1.00 11.32 C ATOM 1798 NZ LYS A 112 -6.491 14.164 6.012 1.00 13.45 N ATOM 0 H LYS A 112 -10.178 10.943 3.677 1.00 4.14 H new ATOM 0 HA LYS A 112 -9.105 9.555 5.932 1.00 61.24 H new ATOM 0 HB2 LYS A 112 -11.035 11.929 5.808 1.00 63.21 H new ATOM 0 HB3 LYS A 112 -10.113 11.441 7.216 1.00 63.21 H new ATOM 0 HG2 LYS A 112 -8.962 12.526 4.605 1.00 73.43 H new ATOM 0 HG3 LYS A 112 -9.082 13.396 6.121 1.00 73.43 H new ATOM 0 HD2 LYS A 112 -7.481 11.835 7.188 1.00 53.13 H new ATOM 0 HD3 LYS A 112 -7.419 10.860 5.734 1.00 53.13 H new ATOM 0 HE2 LYS A 112 -5.443 12.335 5.891 1.00 11.32 H new ATOM 0 HE3 LYS A 112 -6.401 12.720 4.474 1.00 11.32 H new ATOM 0 HZ1 LYS A 112 -5.734 14.721 5.567 1.00 13.45 H new ATOM 0 HZ2 LYS A 112 -7.415 14.554 5.737 1.00 13.45 H new ATOM 0 HZ3 LYS A 112 -6.390 14.208 7.046 1.00 13.45 H new ATOM 1812 N GLU A 113 -12.348 9.262 5.363 1.00 20.45 N ATOM 1813 CA GLU A 113 -13.585 8.505 5.687 1.00 60.34 C ATOM 1814 C GLU A 113 -13.369 6.989 5.429 1.00 31.14 C ATOM 1815 O GLU A 113 -13.784 6.149 6.227 1.00 22.13 O ATOM 1816 CB GLU A 113 -14.769 9.075 4.836 1.00 25.42 C ATOM 1817 CG GLU A 113 -16.207 8.750 5.332 1.00 25.31 C ATOM 1818 CD GLU A 113 -16.653 7.291 5.109 1.00 13.43 C ATOM 1819 OE1 GLU A 113 -16.851 6.898 3.941 1.00 40.54 O ATOM 1820 OE2 GLU A 113 -16.804 6.534 6.096 1.00 22.45 O ATOM 0 H GLU A 113 -12.432 9.836 4.524 1.00 20.45 H new ATOM 0 HA GLU A 113 -13.830 8.622 6.743 1.00 60.34 H new ATOM 0 HB2 GLU A 113 -14.663 10.159 4.788 1.00 25.42 H new ATOM 0 HB3 GLU A 113 -14.668 8.700 3.818 1.00 25.42 H new ATOM 0 HG2 GLU A 113 -16.269 8.975 6.397 1.00 25.31 H new ATOM 0 HG3 GLU A 113 -16.909 9.412 4.825 1.00 25.31 H new ATOM 1827 N LEU A 114 -12.695 6.672 4.302 1.00 32.53 N ATOM 1828 CA LEU A 114 -12.324 5.282 3.909 1.00 64.44 C ATOM 1829 C LEU A 114 -11.437 4.624 4.990 1.00 3.41 C ATOM 1830 O LEU A 114 -11.634 3.459 5.352 1.00 34.14 O ATOM 1831 CB LEU A 114 -11.580 5.305 2.541 1.00 62.33 C ATOM 1832 CG LEU A 114 -11.066 3.931 1.992 1.00 23.12 C ATOM 1833 CD1 LEU A 114 -12.226 2.941 1.737 1.00 24.25 C ATOM 1834 CD2 LEU A 114 -10.193 4.122 0.729 1.00 52.23 C ATOM 0 H LEU A 114 -12.388 7.375 3.630 1.00 32.53 H new ATOM 0 HA LEU A 114 -13.235 4.691 3.813 1.00 64.44 H new ATOM 0 HB2 LEU A 114 -12.249 5.739 1.798 1.00 62.33 H new ATOM 0 HB3 LEU A 114 -10.726 5.976 2.630 1.00 62.33 H new ATOM 0 HG LEU A 114 -10.436 3.490 2.765 1.00 23.12 H new ATOM 0 HD11 LEU A 114 -11.825 2.001 1.357 1.00 24.25 H new ATOM 0 HD12 LEU A 114 -12.759 2.757 2.670 1.00 24.25 H new ATOM 0 HD13 LEU A 114 -12.912 3.366 1.004 1.00 24.25 H new ATOM 0 HD21 LEU A 114 -9.852 3.150 0.372 1.00 52.23 H new ATOM 0 HD22 LEU A 114 -10.781 4.608 -0.049 1.00 52.23 H new ATOM 0 HD23 LEU A 114 -9.331 4.742 0.973 1.00 52.23 H new ATOM 1846 N TRP A 115 -10.462 5.401 5.481 1.00 22.44 N ATOM 1847 CA TRP A 115 -9.609 5.013 6.620 1.00 4.23 C ATOM 1848 C TRP A 115 -10.456 4.804 7.899 1.00 50.53 C ATOM 1849 O TRP A 115 -10.395 3.744 8.510 1.00 32.34 O ATOM 1850 CB TRP A 115 -8.522 6.100 6.861 1.00 54.44 C ATOM 1851 CG TRP A 115 -7.725 5.927 8.148 1.00 14.15 C ATOM 1852 CD1 TRP A 115 -6.724 5.032 8.384 1.00 23.14 C ATOM 1853 CD2 TRP A 115 -7.892 6.660 9.375 1.00 21.21 C ATOM 1854 NE1 TRP A 115 -6.251 5.178 9.659 1.00 34.51 N ATOM 1855 CE2 TRP A 115 -6.953 6.158 10.292 1.00 1.52 C ATOM 1856 CE3 TRP A 115 -8.746 7.692 9.781 1.00 52.03 C ATOM 1857 CZ2 TRP A 115 -6.839 6.651 11.591 1.00 43.41 C ATOM 1858 CZ3 TRP A 115 -8.634 8.181 11.068 1.00 55.31 C ATOM 1859 CH2 TRP A 115 -7.687 7.659 11.961 1.00 12.54 C ATOM 0 H TRP A 115 -10.239 6.321 5.100 1.00 22.44 H new ATOM 0 HA TRP A 115 -9.121 4.068 6.381 1.00 4.23 H new ATOM 0 HB2 TRP A 115 -7.831 6.097 6.018 1.00 54.44 H new ATOM 0 HB3 TRP A 115 -9.002 7.078 6.876 1.00 54.44 H new ATOM 0 HD1 TRP A 115 -6.357 4.312 7.668 1.00 23.14 H new ATOM 0 HE1 TRP A 115 -5.491 4.637 10.071 1.00 34.51 H new ATOM 0 HE3 TRP A 115 -9.479 8.099 9.100 1.00 52.03 H new ATOM 0 HZ2 TRP A 115 -6.109 6.252 12.279 1.00 43.41 H new ATOM 0 HZ3 TRP A 115 -9.286 8.978 11.392 1.00 55.31 H new ATOM 0 HH2 TRP A 115 -7.626 8.061 12.962 1.00 12.54 H new ATOM 1870 N ASP A 116 -11.251 5.832 8.260 1.00 25.14 N ATOM 1871 CA ASP A 116 -12.015 5.897 9.534 1.00 15.52 C ATOM 1872 C ASP A 116 -12.973 4.696 9.693 1.00 34.41 C ATOM 1873 O ASP A 116 -13.046 4.087 10.763 1.00 64.14 O ATOM 1874 CB ASP A 116 -12.802 7.234 9.595 1.00 40.24 C ATOM 1875 CG ASP A 116 -13.549 7.447 10.922 1.00 72.04 C ATOM 1876 OD1 ASP A 116 -12.910 7.853 11.912 1.00 23.04 O ATOM 1877 OD2 ASP A 116 -14.775 7.190 10.988 1.00 21.31 O ATOM 0 H ASP A 116 -11.386 6.654 7.671 1.00 25.14 H new ATOM 0 HA ASP A 116 -11.306 5.851 10.360 1.00 15.52 H new ATOM 0 HB2 ASP A 116 -12.109 8.061 9.440 1.00 40.24 H new ATOM 0 HB3 ASP A 116 -13.520 7.262 8.775 1.00 40.24 H new ATOM 1882 N SER A 117 -13.685 4.365 8.608 1.00 53.05 N ATOM 1883 CA SER A 117 -14.618 3.226 8.575 1.00 71.21 C ATOM 1884 C SER A 117 -13.854 1.889 8.694 1.00 52.40 C ATOM 1885 O SER A 117 -14.124 1.100 9.596 1.00 22.22 O ATOM 1886 CB SER A 117 -15.465 3.252 7.279 1.00 31.55 C ATOM 1887 OG SER A 117 -16.418 2.195 7.253 1.00 40.30 O ATOM 0 H SER A 117 -13.632 4.878 7.728 1.00 53.05 H new ATOM 0 HA SER A 117 -15.290 3.313 9.428 1.00 71.21 H new ATOM 0 HB2 SER A 117 -15.981 4.209 7.200 1.00 31.55 H new ATOM 0 HB3 SER A 117 -14.808 3.171 6.413 1.00 31.55 H new ATOM 0 HG SER A 117 -16.936 2.242 6.423 1.00 40.30 H new ATOM 1893 N GLN A 118 -12.842 1.693 7.823 1.00 45.20 N ATOM 1894 CA GLN A 118 -12.084 0.416 7.715 1.00 14.41 C ATOM 1895 C GLN A 118 -11.300 0.074 9.012 1.00 53.23 C ATOM 1896 O GLN A 118 -11.262 -1.084 9.431 1.00 0.11 O ATOM 1897 CB GLN A 118 -11.119 0.492 6.505 1.00 24.31 C ATOM 1898 CG GLN A 118 -10.393 -0.824 6.128 1.00 13.10 C ATOM 1899 CD GLN A 118 -11.321 -1.950 5.632 1.00 11.32 C ATOM 1900 OE1 GLN A 118 -12.388 -1.705 5.075 1.00 33.25 O ATOM 1901 NE2 GLN A 118 -10.904 -3.193 5.788 1.00 64.30 N ATOM 0 H GLN A 118 -12.523 2.411 7.173 1.00 45.20 H new ATOM 0 HA GLN A 118 -12.807 -0.386 7.567 1.00 14.41 H new ATOM 0 HB2 GLN A 118 -11.683 0.833 5.637 1.00 24.31 H new ATOM 0 HB3 GLN A 118 -10.366 1.252 6.714 1.00 24.31 H new ATOM 0 HG2 GLN A 118 -9.658 -0.609 5.352 1.00 13.10 H new ATOM 0 HG3 GLN A 118 -9.842 -1.182 6.998 1.00 13.10 H new ATOM 0 HE21 GLN A 118 -10.015 -3.378 6.253 1.00 64.30 H new ATOM 0 HE22 GLN A 118 -11.471 -3.968 5.444 1.00 64.30 H new ATOM 1910 N VAL A 119 -10.713 1.101 9.655 1.00 50.12 N ATOM 1911 CA VAL A 119 -9.918 0.927 10.894 1.00 5.55 C ATOM 1912 C VAL A 119 -10.847 0.582 12.092 1.00 31.31 C ATOM 1913 O VAL A 119 -10.467 -0.184 12.984 1.00 60.21 O ATOM 1914 CB VAL A 119 -9.013 2.196 11.198 1.00 70.04 C ATOM 1915 CG1 VAL A 119 -9.837 3.423 11.668 1.00 23.34 C ATOM 1916 CG2 VAL A 119 -7.881 1.864 12.204 1.00 12.35 C ATOM 0 H VAL A 119 -10.773 2.068 9.337 1.00 50.12 H new ATOM 0 HA VAL A 119 -9.238 0.089 10.742 1.00 5.55 H new ATOM 0 HB VAL A 119 -8.551 2.473 10.250 1.00 70.04 H new ATOM 0 HG11 VAL A 119 -9.166 4.260 11.861 1.00 23.34 H new ATOM 0 HG12 VAL A 119 -10.550 3.701 10.892 1.00 23.34 H new ATOM 0 HG13 VAL A 119 -10.375 3.171 12.582 1.00 23.34 H new ATOM 0 HG21 VAL A 119 -7.283 2.757 12.387 1.00 12.35 H new ATOM 0 HG22 VAL A 119 -8.317 1.521 13.142 1.00 12.35 H new ATOM 0 HG23 VAL A 119 -7.246 1.080 11.791 1.00 12.35 H new