USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 1.45 K(o=2.6,f=-0.32) USER MOD Set 1.2: A 93 GLN : amide:sc= 1.13 K(o=2.6,f=-0.32) USER MOD Single : A 30 SER OG : rot 99:sc= 0.664 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -76:sc= 0.888 USER MOD Single : A 44 GLN : amide:sc= 1.14 K(o=1.1,f=-1.1) USER MOD Single : A 46 SER OG : rot 66:sc= 1.2 USER MOD Single : A 49 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 58 MET CE :methyl -169:sc= -0.983 (180deg=-1.09) USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 2.28 (180deg=2.14) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= 1.19 (180deg=0.914) USER MOD Single : A 65 ASN : amide:sc= 0.166 K(o=0.17,f=-0.34) USER MOD Single : A 77 SER OG : rot 88:sc= 0.791 USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.478) USER MOD Single : A 86 HIS : no HE2:sc= 0.366 K(o=0.37,f=-3.4!) USER MOD Single : A 88 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.562) USER MOD Single : A 89 SER OG : rot 43:sc= 0.235 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -150:sc= -0.201 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.808 9.884 5.428 1.00 0.00 N ATOM 36 CA SER A 30 5.523 10.197 4.018 1.00 0.00 C ATOM 37 C SER A 30 4.184 10.897 3.756 1.00 0.00 C ATOM 38 O SER A 30 4.019 11.502 2.693 1.00 0.00 O ATOM 39 CB SER A 30 5.534 8.926 3.167 1.00 0.00 C ATOM 40 OG SER A 30 6.690 8.146 3.424 1.00 0.00 O ATOM 0 HA SER A 30 6.318 10.891 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.641 8.337 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.499 9.192 2.111 1.00 0.00 H new ATOM 0 HG SER A 30 6.465 7.424 4.047 1.00 0.00 H new ATOM 46 N ASN A 31 3.209 10.779 4.668 1.00 0.00 N ATOM 47 CA ASN A 31 1.791 11.169 4.501 1.00 0.00 C ATOM 48 C ASN A 31 1.059 10.536 3.285 1.00 0.00 C ATOM 49 O ASN A 31 -0.086 10.898 3.023 1.00 0.00 O ATOM 50 CB ASN A 31 1.624 12.701 4.476 1.00 0.00 C ATOM 51 CG ASN A 31 2.615 13.474 5.317 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.548 13.504 6.544 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.560 14.128 4.682 1.00 0.00 N ATOM 0 H ASN A 31 3.392 10.389 5.593 1.00 0.00 H new ATOM 0 HA ASN A 31 1.304 10.753 5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.705 13.042 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.617 12.946 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.248 14.668 5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.606 14.096 3.664 1.00 0.00 H new ATOM 60 N THR A 32 1.681 9.604 2.547 1.00 0.00 N ATOM 61 CA THR A 32 1.232 9.230 1.188 1.00 0.00 C ATOM 62 C THR A 32 1.480 7.784 0.716 1.00 0.00 C ATOM 63 O THR A 32 1.398 7.545 -0.486 1.00 0.00 O ATOM 64 CB THR A 32 1.960 10.154 0.179 1.00 0.00 C ATOM 65 OG1 THR A 32 3.363 10.041 0.330 1.00 0.00 O ATOM 66 CG2 THR A 32 1.606 11.632 0.315 1.00 0.00 C ATOM 0 H THR A 32 2.502 9.090 2.867 1.00 0.00 H new ATOM 0 HA THR A 32 0.148 9.334 1.233 1.00 0.00 H new ATOM 0 HB THR A 32 1.625 9.815 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.646 10.529 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.158 12.208 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.536 11.766 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.871 11.979 1.314 1.00 0.00 H new ATOM 74 N ARG A 33 1.780 6.795 1.580 1.00 0.00 N ATOM 75 CA ARG A 33 2.304 5.489 1.102 1.00 0.00 C ATOM 76 C ARG A 33 1.735 4.244 1.759 1.00 0.00 C ATOM 77 O ARG A 33 1.788 3.983 2.960 1.00 0.00 O ATOM 78 CB ARG A 33 3.814 5.423 1.238 1.00 0.00 C ATOM 79 CG ARG A 33 4.587 6.209 0.201 1.00 0.00 C ATOM 80 CD ARG A 33 6.071 6.334 0.543 1.00 0.00 C ATOM 81 NE ARG A 33 6.753 7.124 -0.485 1.00 0.00 N ATOM 82 CZ ARG A 33 7.393 8.271 -0.372 1.00 0.00 C ATOM 83 NH1 ARG A 33 7.760 8.768 0.769 1.00 0.00 N ATOM 84 NH2 ARG A 33 7.664 8.958 -1.437 1.00 0.00 N ATOM 0 H ARG A 33 1.674 6.866 2.592 1.00 0.00 H new ATOM 0 HA ARG A 33 1.974 5.470 0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.090 5.787 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.123 4.379 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.481 5.724 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.154 7.205 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.190 6.808 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.522 5.344 0.613 1.00 0.00 H new ATOM 0 HE ARG A 33 6.729 6.729 -1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.555 8.266 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.253 9.660 0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.382 8.610 -2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.159 9.846 -1.359 1.00 0.00 H new ATOM 98 N LEU A 34 1.289 3.368 0.900 1.00 0.00 N ATOM 99 CA LEU A 34 0.498 2.236 1.255 1.00 0.00 C ATOM 100 C LEU A 34 1.353 0.981 1.316 1.00 0.00 C ATOM 101 O LEU A 34 1.667 0.372 0.289 1.00 0.00 O ATOM 102 CB LEU A 34 -0.661 2.161 0.299 1.00 0.00 C ATOM 103 CG LEU A 34 -1.478 3.445 -0.008 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.598 4.483 1.114 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.956 4.172 -1.243 1.00 0.00 C ATOM 0 H LEU A 34 1.477 3.431 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 34 0.085 2.333 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.280 1.781 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.356 1.415 0.685 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.476 3.033 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.193 5.328 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.082 4.030 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.604 4.831 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.556 5.064 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.083 4.460 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.021 3.512 -2.108 1.00 0.00 H new ATOM 117 N PHE A 35 1.763 0.654 2.536 1.00 0.00 N ATOM 118 CA PHE A 35 2.751 -0.367 2.829 1.00 0.00 C ATOM 119 C PHE A 35 2.061 -1.703 3.094 1.00 0.00 C ATOM 120 O PHE A 35 1.540 -2.016 4.168 1.00 0.00 O ATOM 121 CB PHE A 35 3.668 0.180 3.925 1.00 0.00 C ATOM 122 CG PHE A 35 4.526 -0.789 4.724 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.401 -1.672 4.059 1.00 0.00 C ATOM 124 CD2 PHE A 35 4.541 -0.722 6.126 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.320 -2.441 4.795 1.00 0.00 C ATOM 126 CE2 PHE A 35 5.446 -1.508 6.861 1.00 0.00 C ATOM 127 CZ PHE A 35 6.347 -2.355 6.200 1.00 0.00 C ATOM 0 H PHE A 35 1.402 1.110 3.374 1.00 0.00 H new ATOM 0 HA PHE A 35 3.404 -0.595 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.337 0.906 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.045 0.727 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.365 -1.758 2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.856 -0.065 6.641 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.006 -3.098 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.447 -1.459 7.940 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.058 -2.939 6.766 1.00 0.00 H new ATOM 137 N VAL A 36 1.973 -2.497 2.039 1.00 0.00 N ATOM 138 CA VAL A 36 1.230 -3.750 2.059 1.00 0.00 C ATOM 139 C VAL A 36 2.162 -4.865 1.626 1.00 0.00 C ATOM 140 O VAL A 36 2.900 -4.789 0.652 1.00 0.00 O ATOM 141 CB VAL A 36 -0.111 -3.641 1.346 1.00 0.00 C ATOM 142 CG1 VAL A 36 -1.004 -2.685 2.130 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.031 -3.031 -0.023 1.00 0.00 C ATOM 0 H VAL A 36 2.415 -2.292 1.143 1.00 0.00 H new ATOM 0 HA VAL A 36 0.909 -4.008 3.068 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.481 -4.663 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.969 -2.597 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.151 -3.070 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.531 -1.704 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.028 -2.990 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.375 -2.022 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.618 -3.638 -0.654 1.00 0.00 H new ATOM 153 N ARG A 37 2.193 -5.875 2.483 1.00 0.00 N ATOM 154 CA ARG A 37 3.220 -6.921 2.519 1.00 0.00 C ATOM 155 C ARG A 37 2.794 -8.281 3.121 1.00 0.00 C ATOM 156 O ARG A 37 3.657 -8.978 3.661 1.00 0.00 O ATOM 157 CB ARG A 37 4.433 -6.284 3.247 1.00 0.00 C ATOM 158 CG ARG A 37 4.033 -5.567 4.554 1.00 0.00 C ATOM 159 CD ARG A 37 5.065 -5.605 5.681 1.00 0.00 C ATOM 160 NE ARG A 37 4.439 -5.120 6.934 1.00 0.00 N ATOM 161 CZ ARG A 37 3.628 -5.818 7.710 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.434 -7.093 7.518 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.979 -5.249 8.684 1.00 0.00 N ATOM 0 H ARG A 37 1.480 -5.998 3.202 1.00 0.00 H new ATOM 0 HA ARG A 37 3.457 -7.221 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.165 -7.060 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.919 -5.571 2.580 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.816 -4.524 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.107 -6.011 4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.436 -6.621 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.923 -4.983 5.425 1.00 0.00 H new ATOM 0 HE ARG A 37 4.653 -4.165 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.913 -7.573 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.803 -7.611 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.092 -4.250 8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.357 -5.802 9.274 1.00 0.00 H new ATOM 177 N PRO A 38 1.509 -8.705 3.081 1.00 0.00 N ATOM 178 CA PRO A 38 1.140 -10.061 3.493 1.00 0.00 C ATOM 179 C PRO A 38 1.514 -11.120 2.446 1.00 0.00 C ATOM 180 O PRO A 38 1.761 -12.279 2.782 1.00 0.00 O ATOM 181 CB PRO A 38 -0.382 -10.011 3.633 1.00 0.00 C ATOM 182 CG PRO A 38 -0.808 -9.050 2.545 1.00 0.00 C ATOM 183 CD PRO A 38 0.312 -8.009 2.611 1.00 0.00 C ATOM 0 HA PRO A 38 1.664 -10.343 4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.830 -10.995 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.683 -9.658 4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.864 -9.532 1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.787 -8.614 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.484 -7.563 1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.046 -7.197 3.288 1.00 0.00 H new ATOM 191 N PHE A 39 1.505 -10.723 1.175 1.00 0.00 N ATOM 192 CA PHE A 39 1.587 -11.589 0.004 1.00 0.00 C ATOM 193 C PHE A 39 2.994 -12.168 -0.239 1.00 0.00 C ATOM 194 O PHE A 39 3.979 -11.644 0.288 1.00 0.00 O ATOM 195 CB PHE A 39 1.138 -10.814 -1.249 1.00 0.00 C ATOM 196 CG PHE A 39 0.521 -9.439 -1.051 1.00 0.00 C ATOM 197 CD1 PHE A 39 1.375 -8.329 -0.937 1.00 0.00 C ATOM 198 CD2 PHE A 39 -0.876 -9.252 -1.011 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.839 -7.033 -0.860 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.409 -7.958 -0.870 1.00 0.00 C ATOM 201 CZ PHE A 39 -0.553 -6.845 -0.824 1.00 0.00 C ATOM 0 H PHE A 39 1.437 -9.737 0.923 1.00 0.00 H new ATOM 0 HA PHE A 39 0.925 -12.433 0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.004 -10.701 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.415 -11.431 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.445 -8.473 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.537 -10.103 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.499 -6.178 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.478 -7.820 -0.797 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.964 -5.848 -0.761 1.00 0.00 H new ATOM 211 N PRO A 40 3.110 -13.222 -1.072 1.00 0.00 N ATOM 212 CA PRO A 40 4.378 -13.669 -1.633 1.00 0.00 C ATOM 213 C PRO A 40 4.693 -12.841 -2.905 1.00 0.00 C ATOM 214 O PRO A 40 4.099 -11.785 -3.143 1.00 0.00 O ATOM 215 CB PRO A 40 4.186 -15.174 -1.903 1.00 0.00 C ATOM 216 CG PRO A 40 2.687 -15.449 -1.733 1.00 0.00 C ATOM 217 CD PRO A 40 2.042 -14.080 -1.554 1.00 0.00 C ATOM 0 HA PRO A 40 5.233 -13.523 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.519 -15.435 -2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.773 -15.773 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.281 -15.964 -2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.500 -16.087 -0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.633 -13.710 -2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.218 -14.122 -0.842 1.00 0.00 H new ATOM 225 N LEU A 41 5.616 -13.304 -3.757 1.00 0.00 N ATOM 226 CA LEU A 41 5.951 -12.686 -5.057 1.00 0.00 C ATOM 227 C LEU A 41 4.734 -12.502 -6.004 1.00 0.00 C ATOM 228 O LEU A 41 4.790 -11.714 -6.941 1.00 0.00 O ATOM 229 CB LEU A 41 7.038 -13.535 -5.760 1.00 0.00 C ATOM 230 CG LEU A 41 8.485 -13.297 -5.283 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.715 -13.584 -3.794 1.00 0.00 C ATOM 232 CD2 LEU A 41 9.436 -14.188 -6.084 1.00 0.00 C ATOM 0 H LEU A 41 6.167 -14.140 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 41 6.316 -11.682 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.797 -14.589 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.991 -13.338 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 41 8.676 -12.236 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.758 -13.391 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.072 -12.938 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.478 -14.627 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.460 -14.022 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.170 -15.234 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.357 -13.944 -7.143 1.00 0.00 H new ATOM 244 N ASP A 42 3.643 -13.230 -5.756 1.00 0.00 N ATOM 245 CA ASP A 42 2.393 -13.254 -6.524 1.00 0.00 C ATOM 246 C ASP A 42 1.588 -11.943 -6.541 1.00 0.00 C ATOM 247 O ASP A 42 0.743 -11.813 -7.426 1.00 0.00 O ATOM 248 CB ASP A 42 1.505 -14.387 -5.983 1.00 0.00 C ATOM 249 CG ASP A 42 2.194 -15.763 -6.024 1.00 0.00 C ATOM 250 OD1 ASP A 42 3.081 -16.019 -5.175 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.843 -16.596 -6.891 1.00 0.00 O ATOM 0 H ASP A 42 3.606 -13.863 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 42 2.691 -13.412 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.221 -14.159 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.585 -14.430 -6.566 1.00 0.00 H new ATOM 256 N VAL A 43 1.800 -10.964 -5.650 1.00 0.00 N ATOM 257 CA VAL A 43 1.163 -9.636 -5.822 1.00 0.00 C ATOM 258 C VAL A 43 1.777 -8.889 -7.014 1.00 0.00 C ATOM 259 O VAL A 43 2.982 -8.972 -7.262 1.00 0.00 O ATOM 260 CB VAL A 43 1.171 -8.780 -4.544 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.576 -8.399 -4.076 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.322 -7.504 -4.692 1.00 0.00 C ATOM 0 H VAL A 43 2.389 -11.054 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 43 0.111 -9.822 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 43 0.726 -9.420 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.507 -7.796 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.148 -9.303 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.076 -7.826 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.359 -6.933 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.716 -6.897 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.711 -7.777 -4.909 1.00 0.00 H new ATOM 272 N GLN A 44 0.957 -8.133 -7.750 1.00 0.00 N ATOM 273 CA GLN A 44 1.437 -7.230 -8.801 1.00 0.00 C ATOM 274 C GLN A 44 0.577 -5.963 -8.880 1.00 0.00 C ATOM 275 O GLN A 44 -0.463 -5.850 -8.221 1.00 0.00 O ATOM 276 CB GLN A 44 1.569 -7.906 -10.198 1.00 0.00 C ATOM 277 CG GLN A 44 1.404 -9.433 -10.345 1.00 0.00 C ATOM 278 CD GLN A 44 -0.053 -9.889 -10.444 1.00 0.00 C ATOM 279 OE1 GLN A 44 -0.871 -9.323 -11.156 1.00 0.00 O ATOM 280 NE2 GLN A 44 -0.440 -10.933 -9.742 1.00 0.00 N ATOM 0 H GLN A 44 -0.056 -8.129 -7.635 1.00 0.00 H new ATOM 0 HA GLN A 44 2.449 -6.949 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.834 -7.438 -10.853 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.554 -7.649 -10.589 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.940 -9.763 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.871 -9.924 -9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.226 -11.419 -9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.406 -11.256 -9.798 1.00 0.00 H new ATOM 289 N GLU A 45 0.989 -5.004 -9.703 1.00 0.00 N ATOM 290 CA GLU A 45 0.241 -3.766 -9.941 1.00 0.00 C ATOM 291 C GLU A 45 -1.222 -3.999 -10.341 1.00 0.00 C ATOM 292 O GLU A 45 -2.060 -3.167 -10.025 1.00 0.00 O ATOM 293 CB GLU A 45 0.986 -2.895 -10.971 1.00 0.00 C ATOM 294 CG GLU A 45 0.814 -3.347 -12.426 1.00 0.00 C ATOM 295 CD GLU A 45 1.248 -4.804 -12.684 1.00 0.00 C ATOM 296 OE1 GLU A 45 2.419 -5.149 -12.399 1.00 0.00 O ATOM 297 OE2 GLU A 45 0.399 -5.618 -13.120 1.00 0.00 O ATOM 0 H GLU A 45 1.860 -5.061 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 45 0.191 -3.232 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.637 -1.867 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.048 -2.894 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.232 -3.234 -12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.392 -2.686 -13.072 1.00 0.00 H new ATOM 304 N SER A 46 -1.556 -5.128 -10.973 1.00 0.00 N ATOM 305 CA SER A 46 -2.929 -5.514 -11.332 1.00 0.00 C ATOM 306 C SER A 46 -3.768 -5.974 -10.117 1.00 0.00 C ATOM 307 O SER A 46 -4.980 -5.749 -10.080 1.00 0.00 O ATOM 308 CB SER A 46 -2.896 -6.623 -12.387 1.00 0.00 C ATOM 309 OG SER A 46 -2.284 -6.162 -13.582 1.00 0.00 O ATOM 0 H SER A 46 -0.862 -5.819 -11.258 1.00 0.00 H new ATOM 0 HA SER A 46 -3.413 -4.623 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.349 -7.483 -12.001 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.911 -6.960 -12.599 1.00 0.00 H new ATOM 0 HG SER A 46 -1.338 -5.970 -13.412 1.00 0.00 H new ATOM 315 N GLU A 47 -3.140 -6.553 -9.092 1.00 0.00 N ATOM 316 CA GLU A 47 -3.787 -6.964 -7.846 1.00 0.00 C ATOM 317 C GLU A 47 -4.067 -5.718 -7.010 1.00 0.00 C ATOM 318 O GLU A 47 -5.146 -5.506 -6.454 1.00 0.00 O ATOM 319 CB GLU A 47 -2.798 -7.843 -7.073 1.00 0.00 C ATOM 320 CG GLU A 47 -2.385 -9.147 -7.760 1.00 0.00 C ATOM 321 CD GLU A 47 -3.525 -10.095 -8.183 1.00 0.00 C ATOM 322 OE1 GLU A 47 -4.634 -10.050 -7.600 1.00 0.00 O ATOM 323 OE2 GLU A 47 -3.286 -10.936 -9.083 1.00 0.00 O ATOM 0 H GLU A 47 -2.140 -6.754 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.713 -7.500 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.899 -7.258 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.238 -8.088 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.804 -8.896 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.721 -9.691 -7.088 1.00 0.00 H new ATOM 330 N LEU A 48 -3.072 -4.833 -7.004 1.00 0.00 N ATOM 331 CA LEU A 48 -3.165 -3.532 -6.387 1.00 0.00 C ATOM 332 C LEU A 48 -4.157 -2.658 -7.161 1.00 0.00 C ATOM 333 O LEU A 48 -4.904 -1.906 -6.567 1.00 0.00 O ATOM 334 CB LEU A 48 -1.746 -2.970 -6.344 1.00 0.00 C ATOM 335 CG LEU A 48 -0.756 -3.855 -5.563 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.665 -3.601 -5.989 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.777 -3.538 -4.095 1.00 0.00 C ATOM 0 H LEU A 48 -2.167 -5.013 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.554 -3.574 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.382 -2.845 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.770 -1.979 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.065 -4.881 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.336 -4.242 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.771 -3.820 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.918 -2.557 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.067 -4.180 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.501 -2.494 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.779 -3.709 -3.700 1.00 0.00 H new ATOM 349 N ASN A 49 -4.279 -2.811 -8.477 1.00 0.00 N ATOM 350 CA ASN A 49 -5.365 -2.152 -9.233 1.00 0.00 C ATOM 351 C ASN A 49 -6.756 -2.651 -8.808 1.00 0.00 C ATOM 352 O ASN A 49 -7.657 -1.837 -8.611 1.00 0.00 O ATOM 353 CB ASN A 49 -5.189 -2.283 -10.759 1.00 0.00 C ATOM 354 CG ASN A 49 -4.529 -1.062 -11.369 1.00 0.00 C ATOM 355 OD1 ASN A 49 -5.182 -0.175 -11.901 1.00 0.00 O ATOM 356 ND2 ASN A 49 -3.223 -0.973 -11.313 1.00 0.00 N ATOM 0 H ASN A 49 -3.651 -3.378 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.296 -1.093 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.589 -3.166 -10.979 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.163 -2.437 -11.223 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.749 -0.163 -11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.680 -1.714 -10.869 1.00 0.00 H new ATOM 363 N GLU A 50 -6.938 -3.958 -8.594 1.00 0.00 N ATOM 364 CA GLU A 50 -8.191 -4.500 -8.043 1.00 0.00 C ATOM 365 C GLU A 50 -8.529 -3.962 -6.639 1.00 0.00 C ATOM 366 O GLU A 50 -9.700 -3.720 -6.336 1.00 0.00 O ATOM 367 CB GLU A 50 -8.120 -6.032 -8.003 1.00 0.00 C ATOM 368 CG GLU A 50 -8.459 -6.690 -9.348 1.00 0.00 C ATOM 369 CD GLU A 50 -9.949 -6.537 -9.716 1.00 0.00 C ATOM 370 OE1 GLU A 50 -10.791 -7.311 -9.193 1.00 0.00 O ATOM 371 OE2 GLU A 50 -10.291 -5.647 -10.531 1.00 0.00 O ATOM 0 H GLU A 50 -6.231 -4.666 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.990 -4.169 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.118 -6.335 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.808 -6.401 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.846 -6.245 -10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.204 -7.749 -9.306 1.00 0.00 H new ATOM 378 N ILE A 51 -7.518 -3.758 -5.787 1.00 0.00 N ATOM 379 CA ILE A 51 -7.699 -3.384 -4.372 1.00 0.00 C ATOM 380 C ILE A 51 -7.713 -1.856 -4.146 1.00 0.00 C ATOM 381 O ILE A 51 -8.428 -1.375 -3.272 1.00 0.00 O ATOM 382 CB ILE A 51 -6.576 -4.065 -3.559 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.718 -5.606 -3.550 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.486 -3.536 -2.115 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.433 -6.334 -3.121 1.00 0.00 C ATOM 0 H ILE A 51 -6.539 -3.848 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.678 -3.727 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.647 -3.807 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.528 -5.885 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.003 -5.943 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.681 -4.049 -1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.284 -2.465 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.429 -3.720 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.602 -7.411 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.626 -6.083 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.159 -6.025 -2.112 1.00 0.00 H new ATOM 397 N PHE A 52 -6.954 -1.093 -4.941 1.00 0.00 N ATOM 398 CA PHE A 52 -6.690 0.350 -4.786 1.00 0.00 C ATOM 399 C PHE A 52 -7.379 1.202 -5.863 1.00 0.00 C ATOM 400 O PHE A 52 -7.544 2.410 -5.692 1.00 0.00 O ATOM 401 CB PHE A 52 -5.193 0.670 -4.798 1.00 0.00 C ATOM 402 CG PHE A 52 -4.356 0.095 -3.678 1.00 0.00 C ATOM 403 CD1 PHE A 52 -4.168 -1.293 -3.562 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.694 0.955 -2.791 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.303 -1.828 -2.608 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.792 0.416 -1.866 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.556 -0.964 -1.801 1.00 0.00 C ATOM 0 H PHE A 52 -6.480 -1.483 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.109 0.607 -3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.780 0.319 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.079 1.754 -4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.703 -1.958 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.877 2.019 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.211 -2.898 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.268 1.076 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.804 -1.357 -1.133 1.00 0.00 H new ATOM 417 N GLY A 53 -7.829 0.586 -6.958 1.00 0.00 N ATOM 418 CA GLY A 53 -8.724 1.203 -7.939 1.00 0.00 C ATOM 419 C GLY A 53 -9.999 1.829 -7.333 1.00 0.00 C ATOM 420 O GLY A 53 -10.421 2.869 -7.850 1.00 0.00 O ATOM 0 H GLY A 53 -7.577 -0.374 -7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.175 1.975 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.016 0.450 -8.671 1.00 0.00 H new ATOM 424 N PRO A 54 -10.603 1.299 -6.244 1.00 0.00 N ATOM 425 CA PRO A 54 -11.683 1.992 -5.525 1.00 0.00 C ATOM 426 C PRO A 54 -11.266 3.351 -4.936 1.00 0.00 C ATOM 427 O PRO A 54 -12.105 4.244 -4.795 1.00 0.00 O ATOM 428 CB PRO A 54 -12.143 1.034 -4.420 1.00 0.00 C ATOM 429 CG PRO A 54 -11.633 -0.334 -4.867 1.00 0.00 C ATOM 430 CD PRO A 54 -10.324 0.045 -5.548 1.00 0.00 C ATOM 0 HA PRO A 54 -12.484 2.234 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.729 1.316 -3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -13.228 1.039 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.478 -1.010 -4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.324 -0.828 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.523 0.169 -4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.004 -0.730 -6.245 1.00 0.00 H new ATOM 438 N PHE A 55 -9.981 3.527 -4.590 1.00 0.00 N ATOM 439 CA PHE A 55 -9.425 4.777 -4.055 1.00 0.00 C ATOM 440 C PHE A 55 -9.176 5.736 -5.206 1.00 0.00 C ATOM 441 O PHE A 55 -9.679 6.860 -5.208 1.00 0.00 O ATOM 442 CB PHE A 55 -8.099 4.536 -3.301 1.00 0.00 C ATOM 443 CG PHE A 55 -8.024 3.307 -2.413 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.192 2.733 -1.888 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.783 2.673 -2.206 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.138 1.508 -1.209 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.719 1.500 -1.425 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.902 0.906 -0.958 1.00 0.00 C ATOM 0 H PHE A 55 -9.285 2.786 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.142 5.195 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.298 4.471 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.896 5.412 -2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.139 3.239 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.885 3.083 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.049 1.030 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.762 1.060 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.857 -0.019 -0.403 1.00 0.00 H new ATOM 458 N GLY A 56 -8.405 5.264 -6.190 1.00 0.00 N ATOM 459 CA GLY A 56 -8.255 5.900 -7.487 1.00 0.00 C ATOM 460 C GLY A 56 -6.854 6.391 -7.878 1.00 0.00 C ATOM 461 O GLY A 56 -6.257 5.817 -8.796 1.00 0.00 O ATOM 0 H GLY A 56 -7.858 4.408 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.589 5.195 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.933 6.753 -7.524 1.00 0.00 H new ATOM 465 N PRO A 57 -6.296 7.423 -7.214 1.00 0.00 N ATOM 466 CA PRO A 57 -5.104 8.148 -7.675 1.00 0.00 C ATOM 467 C PRO A 57 -3.749 7.461 -7.412 1.00 0.00 C ATOM 468 O PRO A 57 -2.750 8.167 -7.281 1.00 0.00 O ATOM 469 CB PRO A 57 -5.228 9.529 -7.007 1.00 0.00 C ATOM 470 CG PRO A 57 -5.874 9.195 -5.665 1.00 0.00 C ATOM 471 CD PRO A 57 -6.865 8.101 -6.054 1.00 0.00 C ATOM 0 HA PRO A 57 -5.089 8.197 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.256 10.007 -6.881 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.844 10.209 -7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.143 8.843 -4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.372 10.059 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.015 7.402 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.840 8.527 -6.292 1.00 0.00 H new ATOM 479 N MET A 58 -3.685 6.121 -7.319 1.00 0.00 N ATOM 480 CA MET A 58 -2.447 5.305 -7.232 1.00 0.00 C ATOM 481 C MET A 58 -1.357 5.793 -8.202 1.00 0.00 C ATOM 482 O MET A 58 -1.362 5.504 -9.404 1.00 0.00 O ATOM 483 CB MET A 58 -2.743 3.812 -7.387 1.00 0.00 C ATOM 484 CG MET A 58 -3.670 3.455 -8.556 1.00 0.00 C ATOM 485 SD MET A 58 -3.187 1.937 -9.418 1.00 0.00 S ATOM 486 CE MET A 58 -3.274 0.783 -8.031 1.00 0.00 C ATOM 0 H MET A 58 -4.527 5.546 -7.301 1.00 0.00 H new ATOM 0 HA MET A 58 -2.043 5.444 -6.229 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.800 3.281 -7.515 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.191 3.447 -6.463 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.688 3.344 -8.182 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.680 4.281 -9.267 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.823 -0.167 -8.319 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.735 1.197 -7.179 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.317 0.621 -7.757 1.00 0.00 H new ATOM 496 N LYS A 59 -0.444 6.596 -7.660 1.00 0.00 N ATOM 497 CA LYS A 59 0.578 7.384 -8.335 1.00 0.00 C ATOM 498 C LYS A 59 1.880 6.608 -8.462 1.00 0.00 C ATOM 499 O LYS A 59 2.613 6.777 -9.433 1.00 0.00 O ATOM 500 CB LYS A 59 0.737 8.608 -7.434 1.00 0.00 C ATOM 501 CG LYS A 59 1.596 9.749 -7.926 1.00 0.00 C ATOM 502 CD LYS A 59 3.086 9.666 -7.594 1.00 0.00 C ATOM 503 CE LYS A 59 3.521 9.275 -6.178 1.00 0.00 C ATOM 504 NZ LYS A 59 5.005 9.299 -6.054 1.00 0.00 N ATOM 0 H LYS A 59 -0.399 6.721 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 59 0.306 7.648 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.258 9.004 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.146 8.270 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.490 9.815 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.204 10.677 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.535 8.951 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.525 10.639 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.080 9.961 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.148 8.279 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.271 9.198 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.412 8.514 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.369 10.202 -6.420 1.00 0.00 H new ATOM 518 N GLU A 60 2.138 5.727 -7.498 1.00 0.00 N ATOM 519 CA GLU A 60 3.208 4.741 -7.566 1.00 0.00 C ATOM 520 C GLU A 60 2.763 3.447 -6.921 1.00 0.00 C ATOM 521 O GLU A 60 1.813 3.410 -6.145 1.00 0.00 O ATOM 522 CB GLU A 60 4.519 5.298 -6.981 1.00 0.00 C ATOM 523 CG GLU A 60 5.637 5.369 -8.028 1.00 0.00 C ATOM 524 CD GLU A 60 6.834 6.142 -7.449 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.703 7.375 -7.247 1.00 0.00 O ATOM 526 OE2 GLU A 60 7.891 5.516 -7.194 1.00 0.00 O ATOM 0 H GLU A 60 1.599 5.680 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 60 3.425 4.517 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.340 6.294 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.840 4.669 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.945 4.364 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.274 5.862 -8.930 1.00 0.00 H new ATOM 533 N VAL A 61 3.416 2.372 -7.346 1.00 0.00 N ATOM 534 CA VAL A 61 3.007 0.996 -7.091 1.00 0.00 C ATOM 535 C VAL A 61 4.276 0.152 -7.074 1.00 0.00 C ATOM 536 O VAL A 61 4.548 -0.642 -7.976 1.00 0.00 O ATOM 537 CB VAL A 61 1.995 0.534 -8.183 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.262 -0.716 -7.720 1.00 0.00 C ATOM 539 CG2 VAL A 61 0.910 1.539 -8.612 1.00 0.00 C ATOM 0 H VAL A 61 4.273 2.436 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 61 2.494 0.892 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 61 2.637 0.382 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.557 -1.031 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.982 -1.514 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.721 -0.500 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.277 1.087 -9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.301 1.808 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.383 2.434 -9.016 1.00 0.00 H new ATOM 549 N LYS A 62 5.138 0.442 -6.097 1.00 0.00 N ATOM 550 CA LYS A 62 6.485 -0.126 -5.993 1.00 0.00 C ATOM 551 C LYS A 62 6.355 -1.599 -5.608 1.00 0.00 C ATOM 552 O LYS A 62 5.925 -1.888 -4.496 1.00 0.00 O ATOM 553 CB LYS A 62 7.306 0.685 -4.973 1.00 0.00 C ATOM 554 CG LYS A 62 7.220 2.214 -5.191 1.00 0.00 C ATOM 555 CD LYS A 62 8.070 2.989 -4.175 1.00 0.00 C ATOM 556 CE LYS A 62 9.513 3.135 -4.666 1.00 0.00 C ATOM 557 NZ LYS A 62 9.702 4.406 -5.419 1.00 0.00 N ATOM 0 H LYS A 62 4.916 1.090 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 62 7.016 -0.070 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.958 0.449 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.350 0.376 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.552 2.455 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.181 2.533 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.637 3.975 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.059 2.471 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.193 3.109 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.769 2.290 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.551 4.333 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.871 4.581 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.816 5.193 -4.749 1.00 0.00 H new ATOM 571 N ILE A 63 6.676 -2.519 -6.510 1.00 0.00 N ATOM 572 CA ILE A 63 6.489 -3.975 -6.338 1.00 0.00 C ATOM 573 C ILE A 63 7.844 -4.643 -6.124 1.00 0.00 C ATOM 574 O ILE A 63 8.772 -4.489 -6.917 1.00 0.00 O ATOM 575 CB ILE A 63 5.833 -4.682 -7.555 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.640 -3.990 -8.236 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.444 -6.127 -7.178 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.370 -3.859 -7.394 1.00 0.00 C ATOM 0 H ILE A 63 7.087 -2.277 -7.412 1.00 0.00 H new ATOM 0 HA ILE A 63 5.822 -4.079 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 63 6.616 -4.642 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.952 -2.992 -8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.395 -4.542 -9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.985 -6.616 -8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.336 -6.678 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.736 -6.109 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.598 -3.356 -7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.020 -4.851 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.586 -3.277 -6.498 1.00 0.00 H new ATOM 590 N LEU A 64 7.936 -5.414 -5.048 1.00 0.00 N ATOM 591 CA LEU A 64 9.083 -6.217 -4.666 1.00 0.00 C ATOM 592 C LEU A 64 8.592 -7.608 -4.253 1.00 0.00 C ATOM 593 O LEU A 64 7.405 -7.830 -4.013 1.00 0.00 O ATOM 594 CB LEU A 64 9.825 -5.559 -3.492 1.00 0.00 C ATOM 595 CG LEU A 64 10.248 -4.074 -3.624 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.192 -2.983 -3.863 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.057 -3.713 -2.391 1.00 0.00 C ATOM 0 H LEU A 64 7.167 -5.498 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 64 9.770 -6.297 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.192 -5.646 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.724 -6.144 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 64 10.792 -4.060 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.681 -2.011 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.664 -3.186 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.481 -2.977 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.371 -2.671 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.445 -3.855 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.937 -4.354 -2.333 1.00 0.00 H new ATOM 609 N ASN A 65 9.529 -8.535 -4.107 1.00 0.00 N ATOM 610 CA ASN A 65 9.320 -9.848 -3.500 1.00 0.00 C ATOM 611 C ASN A 65 8.497 -9.809 -2.195 1.00 0.00 C ATOM 612 O ASN A 65 9.050 -9.576 -1.119 1.00 0.00 O ATOM 613 CB ASN A 65 10.678 -10.505 -3.219 1.00 0.00 C ATOM 614 CG ASN A 65 11.830 -9.551 -2.925 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.808 -9.473 -3.660 1.00 0.00 O ATOM 616 ND2 ASN A 65 11.724 -8.763 -1.882 1.00 0.00 N ATOM 0 H ASN A 65 10.490 -8.391 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 65 8.741 -10.428 -4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.565 -11.180 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.949 -11.117 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.457 -8.083 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.909 -8.831 -1.273 1.00 0.00 H new ATOM 623 N GLY A 66 7.191 -10.049 -2.272 1.00 0.00 N ATOM 624 CA GLY A 66 6.332 -10.053 -1.091 1.00 0.00 C ATOM 625 C GLY A 66 5.975 -8.670 -0.527 1.00 0.00 C ATOM 626 O GLY A 66 5.306 -8.600 0.497 1.00 0.00 O ATOM 0 H GLY A 66 6.702 -10.244 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.407 -10.575 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.824 -10.629 -0.308 1.00 0.00 H new ATOM 630 N PHE A 67 6.364 -7.579 -1.204 1.00 0.00 N ATOM 631 CA PHE A 67 5.969 -6.207 -0.809 1.00 0.00 C ATOM 632 C PHE A 67 5.399 -5.381 -1.975 1.00 0.00 C ATOM 633 O PHE A 67 5.824 -5.479 -3.121 1.00 0.00 O ATOM 634 CB PHE A 67 7.129 -5.414 -0.174 1.00 0.00 C ATOM 635 CG PHE A 67 7.868 -6.081 0.962 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.792 -7.094 0.673 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.652 -5.698 2.297 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.398 -7.822 1.709 1.00 0.00 C ATOM 639 CE2 PHE A 67 8.294 -6.391 3.342 1.00 0.00 C ATOM 640 CZ PHE A 67 9.150 -7.469 3.050 1.00 0.00 C ATOM 0 H PHE A 67 6.956 -7.615 -2.034 1.00 0.00 H new ATOM 0 HA PHE A 67 5.184 -6.358 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.850 -5.180 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.734 -4.465 0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.040 -7.316 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.994 -4.872 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.052 -8.650 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.129 -6.095 4.367 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.615 -8.024 3.851 1.00 0.00 H new ATOM 650 N ALA A 68 4.486 -4.483 -1.625 1.00 0.00 N ATOM 651 CA ALA A 68 3.895 -3.460 -2.473 1.00 0.00 C ATOM 652 C ALA A 68 3.801 -2.172 -1.655 1.00 0.00 C ATOM 653 O ALA A 68 3.115 -2.103 -0.635 1.00 0.00 O ATOM 654 CB ALA A 68 2.550 -3.956 -2.984 1.00 0.00 C ATOM 0 H ALA A 68 4.115 -4.450 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 68 4.502 -3.250 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.100 -3.195 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.694 -4.871 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.892 -4.158 -2.139 1.00 0.00 H new ATOM 660 N PHE A 69 4.520 -1.150 -2.101 1.00 0.00 N ATOM 661 CA PHE A 69 4.503 0.192 -1.533 1.00 0.00 C ATOM 662 C PHE A 69 3.803 1.054 -2.568 1.00 0.00 C ATOM 663 O PHE A 69 4.410 1.648 -3.464 1.00 0.00 O ATOM 664 CB PHE A 69 5.891 0.727 -1.129 1.00 0.00 C ATOM 665 CG PHE A 69 6.845 -0.281 -0.524 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.371 -1.297 -1.330 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.238 -0.204 0.823 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.235 -2.249 -0.791 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.166 -1.130 1.348 1.00 0.00 C ATOM 670 CZ PHE A 69 8.677 -2.152 0.524 1.00 0.00 C ATOM 0 H PHE A 69 5.153 -1.236 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 69 3.973 0.199 -0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.363 1.158 -2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.751 1.538 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.106 -1.344 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.829 0.567 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.566 -3.074 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.483 -1.055 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.404 -2.852 0.909 1.00 0.00 H new ATOM 680 N VAL A 70 2.479 1.004 -2.512 1.00 0.00 N ATOM 681 CA VAL A 70 1.664 1.903 -3.318 1.00 0.00 C ATOM 682 C VAL A 70 1.827 3.302 -2.745 1.00 0.00 C ATOM 683 O VAL A 70 2.291 3.489 -1.621 1.00 0.00 O ATOM 684 CB VAL A 70 0.224 1.396 -3.486 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.481 1.860 -4.756 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.227 -0.090 -3.738 1.00 0.00 C ATOM 0 H VAL A 70 1.951 0.359 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 70 2.005 1.937 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.262 1.754 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.490 1.450 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.531 2.949 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.074 1.514 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.798 -0.441 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.791 -0.304 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.691 -0.601 -2.894 1.00 0.00 H new ATOM 696 N GLU A 71 1.524 4.316 -3.525 1.00 0.00 N ATOM 697 CA GLU A 71 1.881 5.684 -3.189 1.00 0.00 C ATOM 698 C GLU A 71 0.961 6.640 -3.936 1.00 0.00 C ATOM 699 O GLU A 71 0.493 6.345 -5.040 1.00 0.00 O ATOM 700 CB GLU A 71 3.332 5.882 -3.651 1.00 0.00 C ATOM 701 CG GLU A 71 3.932 7.205 -3.168 1.00 0.00 C ATOM 702 CD GLU A 71 5.455 7.286 -3.337 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.176 6.295 -3.095 1.00 0.00 O ATOM 704 OE2 GLU A 71 5.964 8.394 -3.627 1.00 0.00 O ATOM 0 H GLU A 71 1.024 4.220 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 71 1.782 5.877 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.941 5.056 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.370 5.847 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.470 8.026 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.683 7.345 -2.116 1.00 0.00 H new ATOM 711 N PHE A 72 0.781 7.816 -3.351 1.00 0.00 N ATOM 712 CA PHE A 72 0.049 8.928 -3.931 1.00 0.00 C ATOM 713 C PHE A 72 0.878 10.215 -3.870 1.00 0.00 C ATOM 714 O PHE A 72 1.921 10.275 -3.223 1.00 0.00 O ATOM 715 CB PHE A 72 -1.290 9.070 -3.198 1.00 0.00 C ATOM 716 CG PHE A 72 -2.144 7.824 -2.990 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.631 7.087 -4.088 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.576 7.483 -1.699 1.00 0.00 C ATOM 719 CE1 PHE A 72 -3.566 6.051 -3.899 1.00 0.00 C ATOM 720 CE2 PHE A 72 -3.536 6.473 -1.515 1.00 0.00 C ATOM 721 CZ PHE A 72 -4.033 5.756 -2.610 1.00 0.00 C ATOM 0 H PHE A 72 1.155 8.027 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.148 8.736 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.086 9.499 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.891 9.796 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.284 7.319 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.169 7.999 -0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.923 5.484 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.893 6.248 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.771 4.981 -2.463 1.00 0.00 H new ATOM 731 N GLU A 73 0.430 11.252 -4.580 1.00 0.00 N ATOM 732 CA GLU A 73 1.079 12.579 -4.553 1.00 0.00 C ATOM 733 C GLU A 73 0.359 13.602 -3.648 1.00 0.00 C ATOM 734 O GLU A 73 0.760 14.765 -3.566 1.00 0.00 O ATOM 735 CB GLU A 73 1.337 13.094 -5.978 1.00 0.00 C ATOM 736 CG GLU A 73 0.077 13.245 -6.843 1.00 0.00 C ATOM 737 CD GLU A 73 0.433 13.738 -8.257 1.00 0.00 C ATOM 738 OE1 GLU A 73 1.071 12.985 -9.034 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.070 14.885 -8.618 1.00 0.00 O ATOM 0 H GLU A 73 -0.387 11.204 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 73 2.052 12.448 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.836 14.061 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.025 12.412 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.441 12.288 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.610 13.948 -6.371 1.00 0.00 H new ATOM 746 N GLU A 74 -0.679 13.171 -2.919 1.00 0.00 N ATOM 747 CA GLU A 74 -1.371 13.931 -1.862 1.00 0.00 C ATOM 748 C GLU A 74 -1.789 13.000 -0.697 1.00 0.00 C ATOM 749 O GLU A 74 -1.592 11.787 -0.784 1.00 0.00 O ATOM 750 CB GLU A 74 -2.519 14.786 -2.458 1.00 0.00 C ATOM 751 CG GLU A 74 -3.453 14.154 -3.516 1.00 0.00 C ATOM 752 CD GLU A 74 -4.555 13.245 -2.946 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.475 12.846 -1.762 1.00 0.00 O ATOM 754 OE2 GLU A 74 -5.510 12.922 -3.696 1.00 0.00 O ATOM 0 H GLU A 74 -1.079 12.242 -3.054 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.683 14.650 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.141 15.124 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.071 15.674 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.922 14.954 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.848 13.574 -4.213 1.00 0.00 H new ATOM 761 N ALA A 75 -2.302 13.551 0.402 1.00 0.00 N ATOM 762 CA ALA A 75 -2.563 12.798 1.643 1.00 0.00 C ATOM 763 C ALA A 75 -4.054 12.478 1.902 1.00 0.00 C ATOM 764 O ALA A 75 -4.373 11.725 2.821 1.00 0.00 O ATOM 765 CB ALA A 75 -1.941 13.574 2.809 1.00 0.00 C ATOM 0 H ALA A 75 -2.552 14.538 0.464 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.101 11.816 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.120 13.037 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.867 13.673 2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.392 14.565 2.869 1.00 0.00 H new ATOM 771 N GLU A 76 -4.980 13.004 1.099 1.00 0.00 N ATOM 772 CA GLU A 76 -6.418 12.687 1.187 1.00 0.00 C ATOM 773 C GLU A 76 -6.706 11.276 0.664 1.00 0.00 C ATOM 774 O GLU A 76 -7.499 10.517 1.224 1.00 0.00 O ATOM 775 CB GLU A 76 -7.231 13.671 0.329 1.00 0.00 C ATOM 776 CG GLU A 76 -6.946 15.151 0.625 1.00 0.00 C ATOM 777 CD GLU A 76 -7.092 15.504 2.123 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.195 15.316 2.689 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.110 15.990 2.733 1.00 0.00 O ATOM 0 H GLU A 76 -4.757 13.670 0.359 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.701 12.760 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.022 13.476 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.293 13.479 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.935 15.394 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.628 15.771 0.043 1.00 0.00 H new ATOM 786 N SER A 77 -6.001 10.925 -0.401 1.00 0.00 N ATOM 787 CA SER A 77 -5.915 9.598 -0.993 1.00 0.00 C ATOM 788 C SER A 77 -5.394 8.581 0.002 1.00 0.00 C ATOM 789 O SER A 77 -5.998 7.527 0.189 1.00 0.00 O ATOM 790 CB SER A 77 -4.979 9.673 -2.198 1.00 0.00 C ATOM 791 OG SER A 77 -3.762 10.284 -1.845 1.00 0.00 O ATOM 0 H SER A 77 -5.436 11.605 -0.909 1.00 0.00 H new ATOM 0 HA SER A 77 -6.911 9.277 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.790 8.670 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.455 10.237 -3.000 1.00 0.00 H new ATOM 0 HG SER A 77 -3.141 9.605 -1.506 1.00 0.00 H new ATOM 797 N ALA A 78 -4.315 8.926 0.708 1.00 0.00 N ATOM 798 CA ALA A 78 -3.791 8.121 1.804 1.00 0.00 C ATOM 799 C ALA A 78 -4.833 7.957 2.916 1.00 0.00 C ATOM 800 O ALA A 78 -5.117 6.822 3.282 1.00 0.00 O ATOM 801 CB ALA A 78 -2.468 8.700 2.297 1.00 0.00 C ATOM 0 H ALA A 78 -3.780 9.777 0.531 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.581 7.115 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.086 8.090 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.746 8.704 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.625 9.720 2.647 1.00 0.00 H new ATOM 807 N ALA A 79 -5.470 9.042 3.379 1.00 0.00 N ATOM 808 CA ALA A 79 -6.510 8.999 4.410 1.00 0.00 C ATOM 809 C ALA A 79 -7.633 8.006 4.072 1.00 0.00 C ATOM 810 O ALA A 79 -7.959 7.124 4.879 1.00 0.00 O ATOM 811 CB ALA A 79 -7.038 10.417 4.662 1.00 0.00 C ATOM 0 H ALA A 79 -5.273 9.984 3.042 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.066 8.625 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.812 10.386 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.221 11.055 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.457 10.818 3.739 1.00 0.00 H new ATOM 817 N LYS A 80 -8.179 8.079 2.848 1.00 0.00 N ATOM 818 CA LYS A 80 -9.180 7.095 2.424 1.00 0.00 C ATOM 819 C LYS A 80 -8.613 5.694 2.261 1.00 0.00 C ATOM 820 O LYS A 80 -9.230 4.761 2.760 1.00 0.00 O ATOM 821 CB LYS A 80 -9.959 7.533 1.170 1.00 0.00 C ATOM 822 CG LYS A 80 -9.148 7.586 -0.127 1.00 0.00 C ATOM 823 CD LYS A 80 -10.027 8.034 -1.306 1.00 0.00 C ATOM 824 CE LYS A 80 -9.199 8.734 -2.390 1.00 0.00 C ATOM 825 NZ LYS A 80 -10.024 9.108 -3.571 1.00 0.00 N ATOM 0 H LYS A 80 -7.951 8.790 2.153 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.895 7.051 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.796 6.849 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.382 8.521 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.311 8.275 -0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.725 6.604 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.532 7.168 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.803 8.710 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.738 9.629 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.389 8.077 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.618 9.951 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.035 8.321 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.996 9.314 -3.264 1.00 0.00 H new ATOM 839 N ALA A 81 -7.440 5.532 1.656 1.00 0.00 N ATOM 840 CA ALA A 81 -6.837 4.214 1.464 1.00 0.00 C ATOM 841 C ALA A 81 -6.659 3.512 2.832 1.00 0.00 C ATOM 842 O ALA A 81 -7.012 2.341 2.987 1.00 0.00 O ATOM 843 CB ALA A 81 -5.516 4.344 0.699 1.00 0.00 C ATOM 0 H ALA A 81 -6.883 6.303 1.287 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.497 3.591 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.076 3.356 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.703 4.796 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.828 4.972 1.265 1.00 0.00 H new ATOM 849 N ILE A 82 -6.193 4.261 3.843 1.00 0.00 N ATOM 850 CA ILE A 82 -6.098 3.814 5.233 1.00 0.00 C ATOM 851 C ILE A 82 -7.460 3.323 5.724 1.00 0.00 C ATOM 852 O ILE A 82 -7.615 2.152 6.066 1.00 0.00 O ATOM 853 CB ILE A 82 -5.567 4.927 6.175 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.113 5.333 5.866 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.641 4.520 7.662 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.865 6.801 6.203 1.00 0.00 C ATOM 0 H ILE A 82 -5.865 5.217 3.709 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.381 2.994 5.258 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.223 5.778 5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.429 4.706 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.901 5.159 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.258 5.332 8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.677 4.315 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.040 3.625 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.831 7.057 5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.533 7.428 5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.054 6.968 7.263 1.00 0.00 H new ATOM 868 N GLU A 83 -8.472 4.190 5.724 1.00 0.00 N ATOM 869 CA GLU A 83 -9.784 3.815 6.258 1.00 0.00 C ATOM 870 C GLU A 83 -10.451 2.652 5.489 1.00 0.00 C ATOM 871 O GLU A 83 -11.154 1.835 6.095 1.00 0.00 O ATOM 872 CB GLU A 83 -10.684 5.054 6.323 1.00 0.00 C ATOM 873 CG GLU A 83 -10.187 6.085 7.350 1.00 0.00 C ATOM 874 CD GLU A 83 -10.242 5.552 8.800 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.327 5.601 9.427 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.202 5.086 9.323 1.00 0.00 O ATOM 0 H GLU A 83 -8.413 5.143 5.366 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.632 3.431 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.730 5.519 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.699 4.750 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.162 6.368 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.793 6.988 7.275 1.00 0.00 H new ATOM 883 N GLU A 84 -10.167 2.507 4.194 1.00 0.00 N ATOM 884 CA GLU A 84 -10.728 1.468 3.318 1.00 0.00 C ATOM 885 C GLU A 84 -10.207 0.068 3.639 1.00 0.00 C ATOM 886 O GLU A 84 -10.981 -0.892 3.618 1.00 0.00 O ATOM 887 CB GLU A 84 -10.346 1.730 1.852 1.00 0.00 C ATOM 888 CG GLU A 84 -11.094 2.887 1.186 1.00 0.00 C ATOM 889 CD GLU A 84 -12.443 2.450 0.582 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.385 2.135 1.351 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.577 2.430 -0.659 1.00 0.00 O ATOM 0 H GLU A 84 -9.520 3.127 3.707 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.805 1.511 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.276 1.932 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.526 0.822 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.267 3.674 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.470 3.315 0.401 1.00 0.00 H new ATOM 898 N VAL A 85 -8.901 -0.064 3.911 1.00 0.00 N ATOM 899 CA VAL A 85 -8.244 -1.383 3.933 1.00 0.00 C ATOM 900 C VAL A 85 -7.004 -1.494 4.851 1.00 0.00 C ATOM 901 O VAL A 85 -6.441 -2.575 4.995 1.00 0.00 O ATOM 902 CB VAL A 85 -8.007 -1.810 2.471 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.862 -1.027 1.842 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.849 -3.322 2.300 1.00 0.00 C ATOM 0 H VAL A 85 -8.281 0.719 4.118 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.910 -2.097 4.417 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.914 -1.555 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.721 -1.353 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.097 0.037 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.947 -1.204 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.685 -3.554 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.996 -3.667 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.753 -3.824 2.646 1.00 0.00 H new ATOM 914 N HIS A 86 -6.586 -0.441 5.564 1.00 0.00 N ATOM 915 CA HIS A 86 -5.577 -0.589 6.627 1.00 0.00 C ATOM 916 C HIS A 86 -6.152 -1.403 7.792 1.00 0.00 C ATOM 917 O HIS A 86 -7.165 -1.021 8.382 1.00 0.00 O ATOM 918 CB HIS A 86 -5.121 0.768 7.170 1.00 0.00 C ATOM 919 CG HIS A 86 -3.946 0.686 8.117 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.691 1.182 7.879 1.00 0.00 N ATOM 921 CD2 HIS A 86 -3.926 0.164 9.385 1.00 0.00 C ATOM 922 CE1 HIS A 86 -1.924 0.957 8.953 1.00 0.00 C ATOM 923 NE2 HIS A 86 -2.634 0.328 9.906 1.00 0.00 N ATOM 0 H HIS A 86 -6.924 0.512 5.429 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.722 -1.101 6.186 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.855 1.413 6.332 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.957 1.242 7.684 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.390 1.647 7.023 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.761 -0.294 9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.885 1.240 9.041 1.00 0.00 H new ATOM 931 N GLY A 87 -5.509 -2.521 8.116 1.00 0.00 N ATOM 932 CA GLY A 87 -5.817 -3.343 9.289 1.00 0.00 C ATOM 933 C GLY A 87 -6.694 -4.544 8.944 1.00 0.00 C ATOM 934 O GLY A 87 -7.087 -5.321 9.816 1.00 0.00 O ATOM 0 H GLY A 87 -4.740 -2.892 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.888 -3.692 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.322 -2.731 10.036 1.00 0.00 H new ATOM 938 N LYS A 88 -6.999 -4.685 7.645 1.00 0.00 N ATOM 939 CA LYS A 88 -7.827 -5.711 7.048 1.00 0.00 C ATOM 940 C LYS A 88 -6.928 -6.824 6.527 1.00 0.00 C ATOM 941 O LYS A 88 -5.937 -6.574 5.839 1.00 0.00 O ATOM 942 CB LYS A 88 -8.573 -5.078 5.873 1.00 0.00 C ATOM 943 CG LYS A 88 -9.800 -4.220 6.234 1.00 0.00 C ATOM 944 CD LYS A 88 -9.463 -2.965 7.063 1.00 0.00 C ATOM 945 CE LYS A 88 -10.369 -1.783 6.709 1.00 0.00 C ATOM 946 NZ LYS A 88 -9.972 -0.539 7.425 1.00 0.00 N ATOM 0 H LYS A 88 -6.642 -4.033 6.946 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.529 -6.119 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.872 -4.457 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.896 -5.874 5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.299 -3.913 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.508 -4.833 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.564 -3.194 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.423 -2.688 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.333 -1.609 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.401 -2.030 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.230 0.289 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.464 -0.493 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.944 -0.543 7.584 1.00 0.00 H new ATOM 960 N SER A 89 -7.285 -8.043 6.896 1.00 0.00 N ATOM 961 CA SER A 89 -6.508 -9.268 6.687 1.00 0.00 C ATOM 962 C SER A 89 -6.545 -9.736 5.227 1.00 0.00 C ATOM 963 O SER A 89 -7.526 -10.350 4.794 1.00 0.00 O ATOM 964 CB SER A 89 -6.997 -10.360 7.651 1.00 0.00 C ATOM 965 OG SER A 89 -8.394 -10.584 7.535 1.00 0.00 O ATOM 0 H SER A 89 -8.168 -8.221 7.374 1.00 0.00 H new ATOM 0 HA SER A 89 -5.462 -9.052 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.463 -11.288 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.760 -10.072 8.675 1.00 0.00 H new ATOM 0 HG SER A 89 -8.647 -10.592 6.588 1.00 0.00 H new ATOM 971 N PHE A 90 -5.484 -9.475 4.453 1.00 0.00 N ATOM 972 CA PHE A 90 -5.344 -10.028 3.107 1.00 0.00 C ATOM 973 C PHE A 90 -4.331 -11.185 3.105 1.00 0.00 C ATOM 974 O PHE A 90 -3.344 -11.136 3.843 1.00 0.00 O ATOM 975 CB PHE A 90 -4.900 -8.891 2.198 1.00 0.00 C ATOM 976 CG PHE A 90 -5.134 -9.165 0.735 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.232 -9.960 0.007 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.307 -8.684 0.122 1.00 0.00 C ATOM 979 CE1 PHE A 90 -4.529 -10.322 -1.309 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.593 -9.026 -1.203 1.00 0.00 C ATOM 981 CZ PHE A 90 -5.718 -9.869 -1.906 1.00 0.00 C ATOM 0 H PHE A 90 -4.707 -8.880 4.742 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.288 -10.440 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.433 -7.982 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.839 -8.701 2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.311 -10.290 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.985 -8.051 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.847 -10.948 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.482 -8.644 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.960 -10.172 -2.914 1.00 0.00 H new ATOM 991 N ALA A 91 -4.553 -12.204 2.271 1.00 0.00 N ATOM 992 CA ALA A 91 -3.754 -13.431 2.092 1.00 0.00 C ATOM 993 C ALA A 91 -3.497 -14.291 3.353 1.00 0.00 C ATOM 994 O ALA A 91 -3.832 -15.477 3.367 1.00 0.00 O ATOM 995 CB ALA A 91 -2.462 -13.065 1.338 1.00 0.00 C ATOM 0 H ALA A 91 -5.362 -12.197 1.650 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.367 -14.111 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.857 -13.961 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.715 -12.641 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.897 -12.334 1.917 1.00 0.00 H new ATOM 1001 N ASN A 92 -2.933 -13.714 4.423 1.00 0.00 N ATOM 1002 CA ASN A 92 -2.722 -14.324 5.744 1.00 0.00 C ATOM 1003 C ASN A 92 -2.645 -13.306 6.910 1.00 0.00 C ATOM 1004 O ASN A 92 -2.651 -13.730 8.072 1.00 0.00 O ATOM 1005 CB ASN A 92 -1.444 -15.188 5.681 1.00 0.00 C ATOM 1006 CG ASN A 92 -0.184 -14.368 5.465 1.00 0.00 C ATOM 1007 OD1 ASN A 92 0.419 -13.858 6.400 1.00 0.00 O ATOM 1008 ND2 ASN A 92 0.249 -14.185 4.248 1.00 0.00 N ATOM 0 H ASN A 92 -2.592 -12.753 4.388 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.597 -14.935 5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.348 -15.754 6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.542 -15.913 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.083 -13.621 4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.246 -14.606 3.462 1.00 0.00 H new ATOM 1015 N GLN A 93 -2.556 -11.989 6.656 1.00 0.00 N ATOM 1016 CA GLN A 93 -2.284 -10.962 7.678 1.00 0.00 C ATOM 1017 C GLN A 93 -2.728 -9.557 7.220 1.00 0.00 C ATOM 1018 O GLN A 93 -2.974 -9.339 6.028 1.00 0.00 O ATOM 1019 CB GLN A 93 -0.784 -10.998 8.060 1.00 0.00 C ATOM 1020 CG GLN A 93 0.138 -10.522 6.936 1.00 0.00 C ATOM 1021 CD GLN A 93 1.619 -10.652 7.258 1.00 0.00 C ATOM 1022 OE1 GLN A 93 2.256 -9.739 7.766 1.00 0.00 O ATOM 1023 NE2 GLN A 93 2.219 -11.774 6.931 1.00 0.00 N ATOM 0 H GLN A 93 -2.673 -11.601 5.720 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.876 -11.189 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.625 -10.374 8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.511 -12.016 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.079 -11.094 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.085 -9.479 6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.685 -12.533 6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.219 -11.886 7.100 1.00 0.00 H new ATOM 1032 N PRO A 94 -2.877 -8.583 8.130 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.371 -7.265 7.760 1.00 0.00 C ATOM 1034 C PRO A 94 -2.375 -6.353 7.033 1.00 0.00 C ATOM 1035 O PRO A 94 -1.157 -6.387 7.232 1.00 0.00 O ATOM 1036 CB PRO A 94 -3.877 -6.628 9.055 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.049 -7.325 10.131 1.00 0.00 C ATOM 1038 CD PRO A 94 -2.902 -8.735 9.578 1.00 0.00 C ATOM 0 HA PRO A 94 -4.155 -7.391 7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.720 -5.549 9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.945 -6.796 9.196 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.082 -6.843 10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.553 -7.319 11.097 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.987 -9.205 9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.732 -9.368 9.892 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.976 -5.502 6.210 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.382 -4.450 5.386 1.00 0.00 C ATOM 1048 C LEU A 95 -2.011 -3.206 6.193 1.00 0.00 C ATOM 1049 O LEU A 95 -2.762 -2.787 7.080 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.452 -4.136 4.322 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.420 -5.056 3.091 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.854 -6.435 3.288 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.761 -5.222 2.404 1.00 0.00 C ATOM 0 H LEU A 95 -3.988 -5.532 6.090 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.440 -4.777 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.437 -4.204 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.326 -3.105 3.992 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.727 -4.495 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.889 -6.981 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.820 -6.359 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.442 -6.966 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.651 -5.885 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.478 -5.650 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.120 -4.250 2.067 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.894 -2.568 5.836 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.348 -1.391 6.521 1.00 0.00 C ATOM 1067 C GLU A 96 -0.299 -0.200 5.544 1.00 0.00 C ATOM 1068 O GLU A 96 0.691 0.505 5.317 1.00 0.00 O ATOM 1069 CB GLU A 96 0.953 -1.805 7.228 1.00 0.00 C ATOM 1070 CG GLU A 96 1.368 -0.841 8.332 1.00 0.00 C ATOM 1071 CD GLU A 96 2.657 -1.302 9.036 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.996 -2.512 9.032 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.333 -0.438 9.629 1.00 0.00 O ATOM 0 H GLU A 96 -0.328 -2.863 5.041 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.982 -1.016 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.827 -2.801 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.754 -1.871 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.519 0.152 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.564 -0.757 9.063 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.446 -0.022 4.881 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.749 1.059 3.941 1.00 0.00 C ATOM 1082 C VAL A 97 -1.654 2.362 4.693 1.00 0.00 C ATOM 1083 O VAL A 97 -2.533 2.633 5.510 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.184 0.904 3.427 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.701 2.082 2.612 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.257 -0.306 2.499 1.00 0.00 C ATOM 0 H VAL A 97 -2.230 -0.664 4.993 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.054 1.033 3.102 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.795 0.813 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.723 1.882 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.682 2.984 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.068 2.225 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.276 -0.421 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.581 -0.160 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.966 -1.202 3.046 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.583 3.134 4.513 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.346 4.211 5.483 1.00 0.00 C ATOM 1098 C VAL A 98 0.436 5.402 4.919 1.00 0.00 C ATOM 1099 O VAL A 98 0.106 5.963 3.871 1.00 0.00 O ATOM 1100 CB VAL A 98 0.170 3.504 6.783 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.673 3.246 7.018 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.615 4.047 7.962 1.00 0.00 C ATOM 0 H VAL A 98 0.097 3.049 3.758 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.252 4.755 5.749 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.040 2.447 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.811 2.747 7.977 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.063 2.613 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.209 4.195 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.272 3.568 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.462 5.124 8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.676 3.840 7.819 1.00 0.00 H new ATOM 1112 N TYR A 99 1.495 5.785 5.612 1.00 0.00 N ATOM 1113 CA TYR A 99 2.530 6.732 5.205 1.00 0.00 C ATOM 1114 C TYR A 99 3.876 5.989 4.991 1.00 0.00 C ATOM 1115 O TYR A 99 4.954 6.564 5.086 1.00 0.00 O ATOM 1116 CB TYR A 99 2.577 7.786 6.320 1.00 0.00 C ATOM 1117 CG TYR A 99 1.301 8.532 6.668 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.222 8.650 5.762 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.237 9.175 7.915 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.907 9.417 6.108 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.099 9.926 8.271 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.979 10.048 7.361 1.00 0.00 C ATOM 1123 OH TYR A 99 -2.075 10.787 7.685 1.00 0.00 O ATOM 0 H TYR A 99 1.671 5.416 6.546 1.00 0.00 H new ATOM 0 HA TYR A 99 2.322 7.216 4.251 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.931 7.294 7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.329 8.526 6.045 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.264 8.152 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.064 9.093 8.605 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.722 9.521 5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.049 10.408 9.236 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.967 11.154 8.587 1.00 0.00 H new ATOM 1133 N SER A 100 3.787 4.687 4.709 1.00 0.00 N ATOM 1134 CA SER A 100 4.818 3.647 4.644 1.00 0.00 C ATOM 1135 C SER A 100 6.084 3.788 5.504 1.00 0.00 C ATOM 1136 O SER A 100 7.103 4.343 5.080 1.00 0.00 O ATOM 1137 CB SER A 100 5.123 3.237 3.205 1.00 0.00 C ATOM 1138 OG SER A 100 6.201 2.329 3.092 1.00 0.00 O ATOM 0 H SER A 100 2.874 4.287 4.493 1.00 0.00 H new ATOM 0 HA SER A 100 4.325 2.826 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.232 2.787 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.348 4.130 2.621 1.00 0.00 H new ATOM 0 HG SER A 100 6.652 2.462 2.232 1.00 0.00 H new